smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(CN[C@H](CF)C(=O)[O-])c1O ZINC001610045615 1165195665 /nfs/dbraw/zinc/19/56/65/1165195665.db2.gz YEUDMKKXENHQBT-SECBINFHSA-N -1 3 257.261 1.303 20 10 CDCDHM COc1cc([O-])c(CN2CCOC[C@@H](O)C2)c(Cl)c1 ZINC001236799627 916454897 /nfs/dbraw/zinc/45/48/97/916454897.db2.gz TUMYBNJBEZLWFR-VIFPVBQESA-N -1 3 287.743 1.247 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2cc(F)c(F)cc2[O-])C[C@H]1O ZINC001142508727 937024680 /nfs/dbraw/zinc/02/46/80/937024680.db2.gz JOXZWIPFEXZZCC-KGLIPLIRSA-N -1 3 287.306 1.236 20 10 CDCDHM O=C(NCc1ccccc1O)c1cccc2c1[N-]C(=O)C2=O ZINC001152455955 937363217 /nfs/dbraw/zinc/36/32/17/937363217.db2.gz PBMGOTMVIQKSJE-UHFFFAOYSA-N -1 3 296.282 1.457 20 10 CDCDHM CNC(=O)CCN(C)Cc1c(F)ccc(F)c1[O-] ZINC001139682930 937400007 /nfs/dbraw/zinc/40/00/07/937400007.db2.gz FQGVCCIUOALJDQ-UHFFFAOYSA-N -1 3 258.268 1.238 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cncnc1 ZINC001148220221 932672074 /nfs/dbraw/zinc/67/20/74/932672074.db2.gz ZEYZLVFXZOBYOV-QMMMGPOBSA-N -1 3 259.265 1.379 20 10 CDCDHM COc1ccc(CC(=O)NCc2c([O-])cccc2F)nc1 ZINC001156171190 938327610 /nfs/dbraw/zinc/32/76/10/938327610.db2.gz XMCPXGUZOVVYRN-UHFFFAOYSA-N -1 3 290.294 1.794 20 10 CDCDHM CN1CCC([N@H+](C)Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231559316 942926804 /nfs/dbraw/zinc/92/68/04/942926804.db2.gz AEORBKYCUGMJCT-UHFFFAOYSA-N -1 3 278.352 1.616 20 10 CDCDHM CN1CCC([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231559316 942926808 /nfs/dbraw/zinc/92/68/08/942926808.db2.gz AEORBKYCUGMJCT-UHFFFAOYSA-N -1 3 278.352 1.616 20 10 CDCDHM CN(C1CN(Cc2cccc(Cl)c2[O-])C1)[C@@H]1CCOC1 ZINC001231912719 943052529 /nfs/dbraw/zinc/05/25/29/943052529.db2.gz UKKDXCCTWUEMGM-GFCCVEGCSA-N -1 3 296.798 1.951 20 10 CDCDHM COc1cc([O-])c(CN2CCOC(=O)C2)cc1Cl ZINC001232267736 943197259 /nfs/dbraw/zinc/19/72/59/943197259.db2.gz GDPRBTDZNBBQAM-UHFFFAOYSA-N -1 3 271.700 1.413 20 10 CDCDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(O)cc1O ZINC001258753813 945400939 /nfs/dbraw/zinc/40/09/39/945400939.db2.gz BTFSFOHHWQHGMO-UHFFFAOYSA-N -1 3 298.320 1.181 20 10 CDCDHM O=C([O-])C[C@]1([NH2+]Cc2ccccc2[O-])CCCOC1 ZINC001334769086 959341554 /nfs/dbraw/zinc/34/15/54/959341554.db2.gz UDNKOGJLBRCPPO-CQSZACIVSA-N -1 3 265.309 1.506 20 10 CDCDHM CC(C)CNC(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001323831280 960988260 /nfs/dbraw/zinc/98/82/60/960988260.db2.gz WXJXUODSSXHGAZ-JTQLQIEISA-N -1 3 295.339 1.723 20 10 CDCDHM CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001348254382 965897949 /nfs/dbraw/zinc/89/79/49/965897949.db2.gz ILWCJASOJPHICV-JTQLQIEISA-N -1 3 292.335 1.038 20 10 CDCDHM CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001595128105 979523806 /nfs/dbraw/zinc/52/38/06/979523806.db2.gz GTAGILISZWRZFH-ONGXEEELSA-N -1 3 267.325 1.902 20 10 CDCDHM C[C@H]([NH2+][C@@H](CO)CC(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593211223 994262123 /nfs/dbraw/zinc/26/21/23/994262123.db2.gz VWBNJLPXSSEPFJ-IONNQARKSA-N -1 3 289.278 1.757 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c([O-])c1O ZINC000274524863 365699510 /nfs/dbraw/zinc/69/95/10/365699510.db2.gz PNSROTKYRUJLRB-UGZDLDLSSA-N -1 3 285.365 1.245 20 10 CDCDHM CC(C)[C@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000180070423 357241046 /nfs/dbraw/zinc/24/10/46/357241046.db2.gz JUBUDINVEZWAEM-ZDUSSCGKSA-N -1 3 266.316 1.488 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCOC[C@H](O)C1 ZINC000294823772 199199831 /nfs/dbraw/zinc/19/98/31/199199831.db2.gz PDMSXMYKBUIBGH-SECBINFHSA-N -1 3 257.717 1.239 20 10 CDCDHM CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000297032401 200067163 /nfs/dbraw/zinc/06/71/63/200067163.db2.gz VDOMVIDDQPWKOL-JTQLQIEISA-N -1 3 295.335 1.820 20 10 CDCDHM CCOC(=O)CCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000267603492 363855089 /nfs/dbraw/zinc/85/50/89/363855089.db2.gz PWPMKDNKGZNWSJ-UHFFFAOYSA-N -1 3 281.308 1.479 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nncn2C)c1 ZINC000273394914 365491257 /nfs/dbraw/zinc/49/12/57/365491257.db2.gz LQNVGYJXOBRWEZ-SECBINFHSA-N -1 3 290.323 1.158 20 10 CDCDHM O=C(NCC[C@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000193157999 367413446 /nfs/dbraw/zinc/41/34/46/367413446.db2.gz YEWBPSCWARKJCB-SNVBAGLBSA-N -1 3 265.309 1.787 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000283006495 368142659 /nfs/dbraw/zinc/14/26/59/368142659.db2.gz LBLIWEINSMWRCQ-NOZJJQNGSA-N -1 3 299.754 1.808 20 10 CDCDHM Cc1ccc(C(=O)N[C@@](C)(C(N)=O)C(C)C)c([O-])c1O ZINC000286327166 368781706 /nfs/dbraw/zinc/78/17/06/368781706.db2.gz BEACPBJWIVSIMS-CQSZACIVSA-N -1 3 280.324 1.036 20 10 CDCDHM Cc1ccc(C(=O)N[C@](C)(C(N)=O)C(C)C)c([O-])c1O ZINC000286327162 368782155 /nfs/dbraw/zinc/78/21/55/368782155.db2.gz BEACPBJWIVSIMS-AWEZNQCLSA-N -1 3 280.324 1.036 20 10 CDCDHM CCN1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294819498 371093498 /nfs/dbraw/zinc/09/34/98/371093498.db2.gz GOUCDIPPWYHJCG-JTQLQIEISA-N -1 3 296.342 1.841 20 10 CDCDHM O=S1(=O)CC[C@H](NCc2cccc(Cl)c2[O-])C1 ZINC000124500565 375988633 /nfs/dbraw/zinc/98/86/33/375988633.db2.gz BGCWGJWSGKQVSW-VIFPVBQESA-N -1 3 275.757 1.322 20 10 CDCDHM COCC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000281927729 390972355 /nfs/dbraw/zinc/97/23/55/390972355.db2.gz AYORRFDBOLQBCC-UHFFFAOYSA-N -1 3 265.309 1.644 20 10 CDCDHM COC[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182122529 391230810 /nfs/dbraw/zinc/23/08/10/391230810.db2.gz DXVOMSSONZROIG-VIFPVBQESA-N -1 3 253.298 1.513 20 10 CDCDHM CSC[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182474987 391235378 /nfs/dbraw/zinc/23/53/78/391235378.db2.gz JRLWFCBGRHRIMM-QMMMGPOBSA-N -1 3 255.339 1.888 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](CO)CC(C)C)c([O-])c1O ZINC000182901541 391247064 /nfs/dbraw/zinc/24/70/64/391247064.db2.gz WMGAUKXIVUDEEF-JTQLQIEISA-N -1 3 267.325 1.543 20 10 CDCDHM Cn1cnnc1[C@@H]1CCCN1Cc1ccccc1[O-] ZINC000179582788 391213134 /nfs/dbraw/zinc/21/31/34/391213134.db2.gz TWMGWPLEMTZZBA-LBPRGKRZSA-N -1 3 258.325 1.858 20 10 CDCDHM CCCN(CC(=O)OCC)C(=O)c1cccc(O)c1[O-] ZINC000126340645 260350668 /nfs/dbraw/zinc/35/06/68/260350668.db2.gz YCNRQRGJODMJQW-UHFFFAOYSA-N -1 3 281.308 1.513 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)c([O-])c1O ZINC000277458630 263041275 /nfs/dbraw/zinc/04/12/75/263041275.db2.gz GIHURRNAGABGGL-SBKAZYGRSA-N -1 3 297.376 1.389 20 10 CDCDHM CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000276019986 279010377 /nfs/dbraw/zinc/01/03/77/279010377.db2.gz QSASODTUWDHGNJ-LLVKDONJSA-N -1 3 292.335 1.085 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H](O)C(C)(C)C2)c([O-])c1O ZINC000275927166 301515232 /nfs/dbraw/zinc/51/52/32/301515232.db2.gz VQNBYXHDRNXOIW-LLVKDONJSA-N -1 3 279.336 1.639 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2CO)c1[O-] ZINC000050150221 518284971 /nfs/dbraw/zinc/28/49/71/518284971.db2.gz RWIRDVNQNHDTJQ-LBPRGKRZSA-N -1 3 267.300 1.691 20 10 CDCDHM COCCc1nc(CN(C)Cc2ccccc2[O-])no1 ZINC000289370030 522033939 /nfs/dbraw/zinc/03/39/39/522033939.db2.gz ODJWWVMNNHMOOZ-UHFFFAOYSA-N -1 3 277.324 1.596 20 10 CDCDHM CCc1nnc(CNC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000292457716 522741412 /nfs/dbraw/zinc/74/14/12/522741412.db2.gz LLGSSMTTZYLQOS-UHFFFAOYSA-N -1 3 293.348 1.750 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])CC[S@@](=O)C1 ZINC000277636351 524987357 /nfs/dbraw/zinc/98/73/57/524987357.db2.gz YDUQVNRROUAJDB-MLCYQJTMSA-N -1 3 271.357 1.732 20 10 CDCDHM C[C@H](NCc1cc(F)ccc1[O-])c1ncnn1C ZINC000276436354 525434750 /nfs/dbraw/zinc/43/47/50/525434750.db2.gz IEANYSDVNGTRDQ-QMMMGPOBSA-N -1 3 250.277 1.511 20 10 CDCDHM O=C(NO[C@@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000274985214 526852595 /nfs/dbraw/zinc/85/25/95/526852595.db2.gz QOPVCBAJXONXED-SNVBAGLBSA-N -1 3 253.254 1.286 20 10 CDCDHM O=C(NCC1CCOCC1)c1cccc(O)c1[O-] ZINC000126419325 527614607 /nfs/dbraw/zinc/61/46/07/527614607.db2.gz ZIYZZQAODFWVFK-UHFFFAOYSA-N -1 3 251.282 1.254 20 10 CDCDHM CCC[C@@H](CCO)CNC(=O)c1cccc(O)c1[O-] ZINC000193110118 528935167 /nfs/dbraw/zinc/93/51/67/528935167.db2.gz IQQOUYJTBOYRBU-JTQLQIEISA-N -1 3 267.325 1.626 20 10 CDCDHM CCOc1ccc(CN2CCN(CC)C(=O)C2)c([O-])c1 ZINC000758014126 574914310 /nfs/dbraw/zinc/91/43/10/574914310.db2.gz CIHGSPCXKVCSPA-UHFFFAOYSA-N -1 3 278.352 1.455 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)C(=O)NC(C)(C)C ZINC000731871841 575067568 /nfs/dbraw/zinc/06/75/68/575067568.db2.gz SOICBQNTEWMJRA-SSDOTTSWSA-N -1 3 270.354 1.487 20 10 CDCDHM Cc1nc2n(n1)C[C@H](NC(=O)c1cc([O-])cs1)CC2 ZINC000732283855 575086783 /nfs/dbraw/zinc/08/67/83/575086783.db2.gz CQYHPKXUPNPJIG-MRVPVSSYSA-N -1 3 278.337 1.098 20 10 CDCDHM Cn1cccc1C(=O)COC(=O)c1cc([O-])cs1 ZINC000732353044 575088201 /nfs/dbraw/zinc/08/82/01/575088201.db2.gz BYVSBRYLPZYKDL-UHFFFAOYSA-N -1 3 265.290 1.832 20 10 CDCDHM [O-]c1ccc(Cl)cc1CNCc1nnnn1CC1CC1 ZINC000769937149 575399087 /nfs/dbraw/zinc/39/90/87/575399087.db2.gz RXMCWTHQXDFAAA-UHFFFAOYSA-N -1 3 293.758 1.732 20 10 CDCDHM CC(C)OC[C@@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000771744690 575607222 /nfs/dbraw/zinc/60/72/22/575607222.db2.gz UBIJWZYISPRFOI-NSHDSACASA-N -1 3 285.365 1.720 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC(n2ccnn2)CC1 ZINC000764994585 575972228 /nfs/dbraw/zinc/97/22/28/575972228.db2.gz GHSGLDMBXAVVPC-UHFFFAOYSA-N -1 3 278.337 1.523 20 10 CDCDHM CCOc1ccc(CN2CCN(C(C)=O)CC2)c([O-])c1 ZINC000768136687 576260075 /nfs/dbraw/zinc/26/00/75/576260075.db2.gz BEMCMRBETXKVFK-UHFFFAOYSA-N -1 3 278.352 1.455 20 10 CDCDHM COc1cccc([O-])c1CN(C)Cc1cnn(C)c1 ZINC000768200721 576263911 /nfs/dbraw/zinc/26/39/11/576263911.db2.gz QLNPFJZJNUJBDV-UHFFFAOYSA-N -1 3 261.325 1.766 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCOC[C@@H]1C1CC1 ZINC000760998110 576533700 /nfs/dbraw/zinc/53/37/00/576533700.db2.gz PAYLVLQOPTVAAH-SNVBAGLBSA-N -1 3 253.323 1.705 20 10 CDCDHM COC(=O)[C@@H](CC(F)F)NC(=O)c1cc([O-])cs1 ZINC000762358779 576640915 /nfs/dbraw/zinc/64/09/15/576640915.db2.gz SJHRPZQCYSDBGH-ZCFIWIBFSA-N -1 3 279.264 1.380 20 10 CDCDHM NC(=O)C[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000746708807 576789556 /nfs/dbraw/zinc/78/95/56/576789556.db2.gz AKMLNYLODACTLZ-MRVPVSSYSA-N -1 3 268.338 1.181 20 10 CDCDHM CC(C)N1CC[C@H](OC(=O)c2cc([O-])cs2)C1=O ZINC000746982545 576854874 /nfs/dbraw/zinc/85/48/74/576854874.db2.gz OFDRCXQRDGYFOF-VIFPVBQESA-N -1 3 269.322 1.620 20 10 CDCDHM C[C@@H](CC[S@@](C)=O)NC(=O)c1cc([O-])cs1 ZINC000748373618 576909557 /nfs/dbraw/zinc/90/95/57/576909557.db2.gz YVMYCSMQDCDEIC-HYORBCNSSA-N -1 3 261.368 1.341 20 10 CDCDHM C[C@@H](NCc1nncn1C)c1cc(F)cc(F)c1[O-] ZINC000756400400 576989028 /nfs/dbraw/zinc/98/90/28/576989028.db2.gz KGSILPVFYMAKKF-SSDOTTSWSA-N -1 3 268.267 1.650 20 10 CDCDHM C[C@H]1C[C@H](NCc2ncn(C)n2)c2c1c(F)ccc2[O-] ZINC000756778871 577004150 /nfs/dbraw/zinc/00/41/50/577004150.db2.gz GDHVJNQVMJLXDZ-WPRPVWTQSA-N -1 3 276.315 1.998 20 10 CDCDHM CS(=O)(=O)CC1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000752821153 577127773 /nfs/dbraw/zinc/12/77/73/577127773.db2.gz SVWFNOHNUHQFEX-UHFFFAOYSA-N -1 3 289.378 1.008 20 10 CDCDHM CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000820387441 598133790 /nfs/dbraw/zinc/13/37/90/598133790.db2.gz QKGIAKWLDAFOHH-GFCCVEGCSA-N -1 3 265.309 1.840 20 10 CDCDHM CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000820387441 598133791 /nfs/dbraw/zinc/13/37/91/598133791.db2.gz QKGIAKWLDAFOHH-GFCCVEGCSA-N -1 3 265.309 1.840 20 10 CDCDHM C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000833554044 604544400 /nfs/dbraw/zinc/54/44/00/604544400.db2.gz MPZDNGSCXGLQNE-WFASDCNBSA-N -1 3 293.319 1.115 20 10 CDCDHM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000833554044 604544403 /nfs/dbraw/zinc/54/44/03/604544403.db2.gz MPZDNGSCXGLQNE-WFASDCNBSA-N -1 3 293.319 1.115 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](O)[C@H](CO)C1 ZINC000840974909 678690639 /nfs/dbraw/zinc/69/06/39/678690639.db2.gz JKTPWQBGOJVCFM-GZMMTYOYSA-N -1 3 289.734 1.360 20 10 CDCDHM CN(Cc1ccccc1O)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825980907 609196403 /nfs/dbraw/zinc/19/64/03/609196403.db2.gz LKOPCZTUJWGLFX-UHFFFAOYSA-N -1 3 298.306 1.173 20 10 CDCDHM CN(Cc1ccccc1O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825980907 609196405 /nfs/dbraw/zinc/19/64/05/609196405.db2.gz LKOPCZTUJWGLFX-UHFFFAOYSA-N -1 3 298.306 1.173 20 10 CDCDHM O=C(N[C@@H]1COC[C@H]1C1CC1)c1cccc(O)c1[O-] ZINC000891047790 617356269 /nfs/dbraw/zinc/35/62/69/617356269.db2.gz GQRQIZKXWJHMJP-WDEREUQCSA-N -1 3 263.293 1.253 20 10 CDCDHM C[C@H]1[C@@H](CO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000840558815 617977443 /nfs/dbraw/zinc/97/74/43/617977443.db2.gz KOAVYZIUCNSHQI-VHSXEESVSA-N -1 3 265.309 1.331 20 10 CDCDHM CC[C@H](O)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000912119392 629792550 /nfs/dbraw/zinc/79/25/50/629792550.db2.gz PDPZARGLIKJCOI-NEPJUHHUSA-N -1 3 279.336 1.863 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](O)[C@H](C)C2)c1[O-] ZINC000166477262 678037012 /nfs/dbraw/zinc/03/70/12/678037012.db2.gz UPCIOPBHEKNMAY-OTYXRUKQSA-N -1 3 281.327 1.937 20 10 CDCDHM [O-]c1ccc(F)cc1CN[C@H](CCO)C(F)(F)F ZINC000820846765 677876411 /nfs/dbraw/zinc/87/64/11/677876411.db2.gz LPFXUPBXNNIWQN-SNVBAGLBSA-N -1 3 267.222 1.934 20 10 CDCDHM CCCN1CC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1[O-] ZINC000840825702 677821238 /nfs/dbraw/zinc/82/12/38/677821238.db2.gz ZRNZJMYNTIXXGM-ZDUSSCGKSA-N -1 3 284.743 1.895 20 10 CDCDHM CO[C@H]([C@@H](C)NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000388281553 678496410 /nfs/dbraw/zinc/49/64/10/678496410.db2.gz MRXMXSLXWAIGGD-AMIZOPFISA-N -1 3 265.309 1.641 20 10 CDCDHM COCCOC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000779431726 678650805 /nfs/dbraw/zinc/65/08/05/678650805.db2.gz CUNQTUJWQKOJJC-UHFFFAOYSA-N -1 3 271.744 1.893 20 10 CDCDHM CCCn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000187141763 678883161 /nfs/dbraw/zinc/88/31/61/678883161.db2.gz QDXYILUYVQGVHY-UHFFFAOYSA-N -1 3 261.281 1.957 20 10 CDCDHM COC(=O)[C@@H](C)NCc1c([O-])cccc1Br ZINC000706863887 678939435 /nfs/dbraw/zinc/93/94/35/678939435.db2.gz XKCXQJGUMGNSKQ-SSDOTTSWSA-N -1 3 288.141 1.806 20 10 CDCDHM CN(Cc1ccncc1)C(=O)c1cccc(O)c1[O-] ZINC000126261090 679059174 /nfs/dbraw/zinc/05/91/74/679059174.db2.gz GLFSLGUMCSBTDK-UHFFFAOYSA-N -1 3 258.277 1.765 20 10 CDCDHM C[C@@H](NCC(=O)NCC(F)F)c1c([O-])cccc1F ZINC000886604745 679126555 /nfs/dbraw/zinc/12/65/55/679126555.db2.gz BSKWZPSMHUXZHT-SSDOTTSWSA-N -1 3 276.258 1.563 20 10 CDCDHM C[C@@H]1CN(C)C(=O)CN1Cc1cc(F)ccc1[O-] ZINC000783733540 679368999 /nfs/dbraw/zinc/36/89/99/679368999.db2.gz MDCKVGJEWYVXFM-SECBINFHSA-N -1 3 252.289 1.194 20 10 CDCDHM COC(=O)C(C)(C)N(C)Cc1cc(F)ccc1[O-] ZINC000779007457 679433526 /nfs/dbraw/zinc/43/35/26/679433526.db2.gz DLKNTRHWSSIGAU-UHFFFAOYSA-N -1 3 255.289 1.915 20 10 CDCDHM C[C@H]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000398114415 679458885 /nfs/dbraw/zinc/45/88/85/679458885.db2.gz TYNHPOIZMUUOLQ-DTWKUNHWSA-N -1 3 251.282 1.395 20 10 CDCDHM O=C(NCc1cc2n(n1)CCCO2)c1cccc(O)c1[O-] ZINC000848097347 679596480 /nfs/dbraw/zinc/59/64/80/679596480.db2.gz FCWUROPWUCDNAH-UHFFFAOYSA-N -1 3 289.291 1.007 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@@]2(C)CO)c1[O-] ZINC000878983751 679607487 /nfs/dbraw/zinc/60/74/87/679607487.db2.gz QFASGOHJJRSPPA-WFASDCNBSA-N -1 3 297.326 1.052 20 10 CDCDHM C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604364595 1163164666 /nfs/dbraw/zinc/16/46/66/1163164666.db2.gz RXARYTIPDFRNKW-SZEHBUNVSA-N -1 3 278.308 1.005 20 10 CDCDHM CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607002288 1164056938 /nfs/dbraw/zinc/05/69/38/1164056938.db2.gz DFWTUGQEXMDFAB-PELMWDNLSA-N -1 3 265.309 1.918 20 10 CDCDHM COc1cc(C)c(C[N@@H+]2CC[C@](OC)(C(=O)[O-])C2)c([O-])c1 ZINC001607148865 1164122022 /nfs/dbraw/zinc/12/20/22/1164122022.db2.gz UOPFGVVLBRQMAA-OAHLLOKOSA-N -1 3 295.335 1.385 20 10 CDCDHM COc1cc(C)c(C[N@H+]2CC[C@](OC)(C(=O)[O-])C2)c([O-])c1 ZINC001607148865 1164122024 /nfs/dbraw/zinc/12/20/24/1164122024.db2.gz UOPFGVVLBRQMAA-OAHLLOKOSA-N -1 3 295.335 1.385 20 10 CDCDHM C[C@H]1CN(C)C(=O)CN1Cc1c([O-])cccc1Cl ZINC001140342247 936703512 /nfs/dbraw/zinc/70/35/12/936703512.db2.gz ZTHMKPGPAHMGAJ-VIFPVBQESA-N -1 3 268.744 1.708 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN([C@@H]2CCOC2)CC1 ZINC001137831822 922461855 /nfs/dbraw/zinc/46/18/55/922461855.db2.gz OWIDEDRPCBKIHJ-GFCCVEGCSA-N -1 3 280.343 1.438 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(C[C@@H]2CCO)CC1 ZINC001148211945 932667292 /nfs/dbraw/zinc/66/72/92/932667292.db2.gz DOFZEIIZMMHTEH-NSHDSACASA-N -1 3 291.347 1.723 20 10 CDCDHM CC[C@H](C)[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC001148219881 932672353 /nfs/dbraw/zinc/67/23/53/932672353.db2.gz DBJGMCYMHQOPGY-WCBMZHEXSA-N -1 3 253.298 1.235 20 10 CDCDHM CN(C(=O)c1cc(O)c([O-])c(O)c1)[C@H]1CC[C@H](O)CC1 ZINC001148582274 932750867 /nfs/dbraw/zinc/75/08/67/932750867.db2.gz IDMNDGVIRUKPNA-MGCOHNPYSA-N -1 3 281.308 1.179 20 10 CDCDHM O=C(NCc1cccc2ccnn21)c1cc(O)c([O-])c(O)c1 ZINC001148589988 932755204 /nfs/dbraw/zinc/75/52/04/932755204.db2.gz UOSYWKVXZUHBOA-UHFFFAOYSA-N -1 3 299.286 1.381 20 10 CDCDHM NC(=O)C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC001203645738 939699871 /nfs/dbraw/zinc/69/98/71/939699871.db2.gz OEYSZTJLURROFA-UHFFFAOYSA-N -1 3 285.141 1.072 20 10 CDCDHM COc1cc([O-])c(CN2CC3(CCN3C)C2)cc1Cl ZINC001276621543 940442566 /nfs/dbraw/zinc/44/25/66/940442566.db2.gz XOPJCOFJOIHWHT-UHFFFAOYSA-N -1 3 282.771 1.944 20 10 CDCDHM CCC[N@H+](CCOC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447978 942891148 /nfs/dbraw/zinc/89/11/48/942891148.db2.gz ZLYRLQQJTXGUST-UHFFFAOYSA-N -1 3 267.325 1.949 20 10 CDCDHM CCC[N@@H+](CCOC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447978 942891151 /nfs/dbraw/zinc/89/11/51/942891151.db2.gz ZLYRLQQJTXGUST-UHFFFAOYSA-N -1 3 267.325 1.949 20 10 CDCDHM Cc1cc([O-])c(CN2CC(N3CCOCC3)C2)cc1Cl ZINC001231870551 943036479 /nfs/dbraw/zinc/03/64/79/943036479.db2.gz IHKABDMBOGININ-UHFFFAOYSA-N -1 3 296.798 1.870 20 10 CDCDHM O=C1CCN(Cc2cccc(C(F)(F)F)c2[O-])CCN1 ZINC001233416060 943581792 /nfs/dbraw/zinc/58/17/92/943581792.db2.gz VBRTWEHPYBJDJE-UHFFFAOYSA-N -1 3 288.269 1.733 20 10 CDCDHM O=C1CN(Cc2cccc(-c3ccccc3)c2[O-])CCN1 ZINC001234992240 944001848 /nfs/dbraw/zinc/00/18/48/944001848.db2.gz OCCWTVBJRXYVHI-UHFFFAOYSA-N -1 3 282.343 1.991 20 10 CDCDHM CNC(=O)CN(C)Cc1c([O-])cc(OC)cc1Cl ZINC001236799651 944574559 /nfs/dbraw/zinc/57/45/59/944574559.db2.gz UOLRURSEXFKDGS-UHFFFAOYSA-N -1 3 272.732 1.232 20 10 CDCDHM C[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC001308745338 956572520 /nfs/dbraw/zinc/57/25/20/956572520.db2.gz VMVXUOPKNULJHK-KWQFWETISA-N -1 3 257.280 1.873 20 10 CDCDHM NC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001308764748 956574488 /nfs/dbraw/zinc/57/44/88/956574488.db2.gz DFLYFZRTLXOYLP-SNVBAGLBSA-N -1 3 254.717 1.495 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CN(Cc2c(C)cccc2O)CCO1 ZINC001593986458 956791697 /nfs/dbraw/zinc/79/16/97/956791697.db2.gz XJIWWBIONVRKPX-OAHLLOKOSA-N -1 3 295.335 1.003 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594260681 999005218 /nfs/dbraw/zinc/00/52/18/999005218.db2.gz FHCNICLUHMYTDY-KKZNHRDASA-N -1 3 265.309 1.918 20 10 CDCDHM COC(=O)CN(Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000079500696 342345326 /nfs/dbraw/zinc/34/53/26/342345326.db2.gz FGJPIRNXCMHREL-UHFFFAOYSA-N -1 3 295.310 1.871 20 10 CDCDHM O=C(N[C@H]1CN(c2ccccc2)C1=O)c1cccc(O)c1[O-] ZINC000365100487 303986928 /nfs/dbraw/zinc/98/69/28/303986928.db2.gz PMFFKKOJMKENNN-LBPRGKRZSA-N -1 3 298.298 1.243 20 10 CDCDHM CN(Cc1nc[nH]n1)Cc1cc(Br)ccc1[O-] ZINC000179789923 357224902 /nfs/dbraw/zinc/22/49/02/357224902.db2.gz IZHNBQBOYWJFGM-UHFFFAOYSA-N -1 3 297.156 1.905 20 10 CDCDHM CCCOc1ccc(CN2CCN(C(C)=O)CC2)c([O-])c1 ZINC000131788438 358346383 /nfs/dbraw/zinc/34/63/83/358346383.db2.gz FEIUIJPCRWVWBF-UHFFFAOYSA-N -1 3 292.379 1.845 20 10 CDCDHM O=C([O-])CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000238111426 361531170 /nfs/dbraw/zinc/53/11/70/361531170.db2.gz XLECMWNQRCJCOC-CYBMUJFWSA-N -1 3 279.336 1.848 20 10 CDCDHM O=C([O-])CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000238111426 361531175 /nfs/dbraw/zinc/53/11/75/361531175.db2.gz XLECMWNQRCJCOC-CYBMUJFWSA-N -1 3 279.336 1.848 20 10 CDCDHM Cc1ccc(C(=O)N2CCN(C(C)C)C(=O)C2)c([O-])c1O ZINC000273060324 365467032 /nfs/dbraw/zinc/46/70/32/365467032.db2.gz YFPZEKKLVKAROO-UHFFFAOYSA-N -1 3 292.335 1.099 20 10 CDCDHM C[C@@H](NCc1nnc2n1CCC2)c1ccc(F)cc1[O-] ZINC000273399765 365492870 /nfs/dbraw/zinc/49/28/70/365492870.db2.gz MUZAEQQFQCJZNZ-SECBINFHSA-N -1 3 276.315 1.920 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C)c([O-])c1O ZINC000293982405 370888139 /nfs/dbraw/zinc/88/81/39/370888139.db2.gz VRAHMLMMKBXGFR-UWVGGRQHSA-N -1 3 265.309 1.392 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@@]23CCOC3)c([O-])c1O ZINC000282348715 367843860 /nfs/dbraw/zinc/84/38/60/367843860.db2.gz YASSCTMJGLEKPU-HNNXBMFYSA-N -1 3 293.319 1.038 20 10 CDCDHM CC[C@H](NCCS(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000285910519 368672200 /nfs/dbraw/zinc/67/22/00/368672200.db2.gz DFLJRLYWKXEAMP-NSHDSACASA-N -1 3 275.345 1.617 20 10 CDCDHM O=C(/C=C/c1cncc([O-])c1)N1CCn2nccc21 ZINC000367511999 369172994 /nfs/dbraw/zinc/17/29/94/369172994.db2.gz ACWZHBJGOUDOAA-OWOJBTEDSA-N -1 3 256.265 1.044 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC(=O)N[C@H](C)C2)c1[O-] ZINC000296071907 371407649 /nfs/dbraw/zinc/40/76/49/371407649.db2.gz DNGNTSVTVPOGCX-MRVPVSSYSA-N -1 3 280.299 1.054 20 10 CDCDHM O=C1N[C@@H](c2cc(F)ccc2[O-])N2CCSC[C@@H]12 ZINC000270761660 296388000 /nfs/dbraw/zinc/38/80/00/296388000.db2.gz DMEBDHQURFVFQN-GXSJLCMTSA-N -1 3 268.313 1.077 20 10 CDCDHM CCN(Cc1ccccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000179575042 391211274 /nfs/dbraw/zinc/21/12/74/391211274.db2.gz UPFCGRGSHSPFIB-LLVKDONJSA-N -1 3 271.382 1.647 20 10 CDCDHM CN(C)c1ncc(CN(C)Cc2ccccc2[O-])cn1 ZINC000271147160 391288805 /nfs/dbraw/zinc/28/88/05/391288805.db2.gz ZFHUEHJABBTMOH-UHFFFAOYSA-N -1 3 272.352 1.880 20 10 CDCDHM COc1c([O-])c(CN(CCO)C2CCC2)ccc1[N+](=O)[O-] ZINC000278392072 286186752 /nfs/dbraw/zinc/18/67/52/286186752.db2.gz MXLAQXFMPCPRKI-UHFFFAOYSA-N -1 3 296.323 1.656 20 10 CDCDHM CN(C)[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000186755354 262109018 /nfs/dbraw/zinc/10/90/18/262109018.db2.gz BPPBPDLPXVGIHH-LLVKDONJSA-N -1 3 290.319 1.724 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](O)C12CCCC2 ZINC000294132070 304549370 /nfs/dbraw/zinc/54/93/70/304549370.db2.gz KXYRCWBOMZNTER-LBPRGKRZSA-N -1 3 277.320 1.617 20 10 CDCDHM C[C@H](O)c1cn(C2CN(Cc3ccccc3[O-])C2)nn1 ZINC000378533190 329054504 /nfs/dbraw/zinc/05/45/04/329054504.db2.gz NHCCKUOUUIDWBL-JTQLQIEISA-N -1 3 274.324 1.094 20 10 CDCDHM O=C(/C=C/c1cncc([O-])c1)N1C[C@H](O)Cc2ccccc21 ZINC000492963295 332420485 /nfs/dbraw/zinc/42/04/85/332420485.db2.gz ZUXVVMVSCCKHHY-LLYBFZRZSA-N -1 3 296.326 1.751 20 10 CDCDHM C[C@H](NCc1nncn1C)c1ccc(F)cc1[O-] ZINC000062747797 525493587 /nfs/dbraw/zinc/49/35/87/525493587.db2.gz RHUVFPXVTUBZSE-QMMMGPOBSA-N -1 3 250.277 1.511 20 10 CDCDHM C[C@@H](NCc1cc(F)ccc1[O-])c1ncnn1C ZINC000276436349 525514760 /nfs/dbraw/zinc/51/47/60/525514760.db2.gz IEANYSDVNGTRDQ-MRVPVSSYSA-N -1 3 250.277 1.511 20 10 CDCDHM [O-]c1c(Cl)cc(Cl)cc1CNC(CO)CO ZINC000083691546 527521054 /nfs/dbraw/zinc/52/10/54/527521054.db2.gz YVIMSJYQIALDDF-UHFFFAOYSA-N -1 3 266.124 1.142 20 10 CDCDHM CCCN(CC(=O)OC)Cc1c([O-])cccc1OC ZINC000771935757 575638689 /nfs/dbraw/zinc/63/86/89/575638689.db2.gz VGYGBQIXRICULJ-UHFFFAOYSA-N -1 3 267.325 1.786 20 10 CDCDHM Cc1noc([C@@H](C)NC(=O)c2cc([O-])cs2)n1 ZINC000731872298 575067805 /nfs/dbraw/zinc/06/78/05/575067805.db2.gz CSIXNPVGWSQEBH-RXMQYKEDSA-N -1 3 253.283 1.636 20 10 CDCDHM CN(C)C(=O)CCCNC(=O)c1cc([O-])cs1 ZINC000732277598 575085997 /nfs/dbraw/zinc/08/59/97/575085997.db2.gz MAUREJNLYHGDOX-UHFFFAOYSA-N -1 3 256.327 1.052 20 10 CDCDHM O=C(CNC(=O)c1cc([O-])cs1)Nc1cccc(F)c1 ZINC000732280204 575086303 /nfs/dbraw/zinc/08/63/03/575086303.db2.gz CGACTTDBEUMKJC-UHFFFAOYSA-N -1 3 294.307 1.961 20 10 CDCDHM CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000760053888 576455451 /nfs/dbraw/zinc/45/54/51/576455451.db2.gz RSJURPMDDVSRBI-VXGBXAGGSA-N -1 3 295.335 1.330 20 10 CDCDHM COc1ccc(CNCc2ccc(C(=O)[O-])o2)c(O)c1 ZINC000738008972 576030471 /nfs/dbraw/zinc/03/04/71/576030471.db2.gz VECIUHAEYNVNEZ-UHFFFAOYSA-N -1 3 277.276 1.982 20 10 CDCDHM CCOc1ccc(CN2CCN(CCOC)CC2)c([O-])c1 ZINC000768220952 576265567 /nfs/dbraw/zinc/26/55/67/576265567.db2.gz VDDRYGCCDPNTSC-UHFFFAOYSA-N -1 3 294.395 1.555 20 10 CDCDHM CN(Cc1ccon1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768448986 576284606 /nfs/dbraw/zinc/28/46/06/576284606.db2.gz YXJLYOIQJUFQJZ-ZDUSSCGKSA-N -1 3 276.292 1.438 20 10 CDCDHM COC(=O)[C@@]1(C)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000760152910 576462350 /nfs/dbraw/zinc/46/23/50/576462350.db2.gz YZNBKBGOLWWLOX-LBPRGKRZSA-N -1 3 269.322 1.479 20 10 CDCDHM CN(Cc1ccccc1O)c1ncccc1-c1nnn[n-]1 ZINC000825980709 608015964 /nfs/dbraw/zinc/01/59/64/608015964.db2.gz HNEWUKBIEUDZEY-UHFFFAOYSA-N -1 3 282.307 1.604 20 10 CDCDHM CN(Cc1ccccc1O)c1ncccc1-c1nn[n-]n1 ZINC000825980709 608015965 /nfs/dbraw/zinc/01/59/65/608015965.db2.gz HNEWUKBIEUDZEY-UHFFFAOYSA-N -1 3 282.307 1.604 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCSC[C@H]1CCO ZINC000894088306 618373617 /nfs/dbraw/zinc/37/36/17/618373617.db2.gz KQJJYXPOSIMDPA-LLVKDONJSA-N -1 3 289.347 1.970 20 10 CDCDHM CC[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)N(C)C ZINC000911487302 629301016 /nfs/dbraw/zinc/30/10/16/629301016.db2.gz COOPIEPXODPRBE-LBPRGKRZSA-N -1 3 294.351 1.146 20 10 CDCDHM C[C@@](O)(CNC(=O)c1cccc(O)c1[O-])c1cccs1 ZINC000185768853 679743863 /nfs/dbraw/zinc/74/38/63/679743863.db2.gz ZDEWMXBRLJOIIZ-CQSZACIVSA-N -1 3 293.344 1.797 20 10 CDCDHM CCN1C(=O)C(C)(C)N[C@H]1c1cc(F)ccc1[O-] ZINC000840833768 679764679 /nfs/dbraw/zinc/76/46/79/679764679.db2.gz PPQMFFREHTWNHD-LLVKDONJSA-N -1 3 252.289 1.760 20 10 CDCDHM Cc1cc([O-])c(CN2CC(=O)N[C@@H](C)C2)cc1Cl ZINC000826064618 679840777 /nfs/dbraw/zinc/84/07/77/679840777.db2.gz MLZYDTTVAZIJQW-VIFPVBQESA-N -1 3 268.744 1.674 20 10 CDCDHM Cc1ccc(C(=O)NOCCOC(C)C)c([O-])c1O ZINC000795091262 682204294 /nfs/dbraw/zinc/20/42/94/682204294.db2.gz RYPUVJFPERXWJD-UHFFFAOYSA-N -1 3 269.297 1.493 20 10 CDCDHM C[C@@H](Cn1ccnc1)NC(=O)c1cccc(O)c1[O-] ZINC000126307952 681841349 /nfs/dbraw/zinc/84/13/49/681841349.db2.gz JDQDMAGOXCLXBP-VIFPVBQESA-N -1 3 261.281 1.113 20 10 CDCDHM O=c1ccnc(C=Cc2ccc(N3CCOCC3)cc2)[n-]1 ZINC000131787955 682464889 /nfs/dbraw/zinc/46/48/89/682464889.db2.gz JPAACBZQRSQEDJ-ZZXKWVIFSA-N -1 3 283.331 1.777 20 10 CDCDHM Cc1ccn2cc(CNC(=O)c3cccc(O)c3[O-])nc2c1 ZINC000776338879 683244458 /nfs/dbraw/zinc/24/44/58/683244458.db2.gz MGDCNUWRIPGCMQ-UHFFFAOYSA-N -1 3 297.314 1.984 20 10 CDCDHM CCNC(=O)[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000790948163 683382408 /nfs/dbraw/zinc/38/24/08/683382408.db2.gz YQHXACUPZFFIAZ-SSDOTTSWSA-N -1 3 274.723 1.799 20 10 CDCDHM Cc1cc([O-])c(CN2C[C@H](CO)O[C@@H](C)C2)cc1Cl ZINC000825651413 683450342 /nfs/dbraw/zinc/45/03/42/683450342.db2.gz IEZYJFVMLKVCPS-CMPLNLGQSA-N -1 3 285.771 1.936 20 10 CDCDHM COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(F)ccc1[O-] ZINC000779033844 684057764 /nfs/dbraw/zinc/05/77/64/684057764.db2.gz OUGOUSBKJQRUFZ-CYBMUJFWSA-N -1 3 299.342 1.930 20 10 CDCDHM CN(C)c1noc(CNCc2c([O-])cccc2Cl)n1 ZINC000776264380 684064124 /nfs/dbraw/zinc/06/41/24/684064124.db2.gz HVLOYOWBSFWTEQ-UHFFFAOYSA-N -1 3 282.731 1.784 20 10 CDCDHM O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(O)c1[O-] ZINC000790577889 684159590 /nfs/dbraw/zinc/15/95/90/684159590.db2.gz VGLADKJPLUMXEE-UHFFFAOYSA-N -1 3 259.265 1.951 20 10 CDCDHM Cc1ccc(O)c(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001605875298 1163701864 /nfs/dbraw/zinc/70/18/64/1163701864.db2.gz CEWOCCXVUZNUEU-UHFFFAOYSA-N -1 3 298.306 1.139 20 10 CDCDHM Cc1ccc(O)c(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001605875298 1163701866 /nfs/dbraw/zinc/70/18/66/1163701866.db2.gz CEWOCCXVUZNUEU-UHFFFAOYSA-N -1 3 298.306 1.139 20 10 CDCDHM CCn1nncc1CN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001605946784 1163723409 /nfs/dbraw/zinc/72/34/09/1163723409.db2.gz FMBOGZOCVGDCPS-SECBINFHSA-N -1 3 290.323 1.553 20 10 CDCDHM COc1cc(O)c(CN2CC(C)(C(=O)[O-])C2)cc1OC ZINC001607183420 1164127789 /nfs/dbraw/zinc/12/77/89/1164127789.db2.gz QRSQCDAWSMHEBQ-UHFFFAOYSA-N -1 3 281.308 1.316 20 10 CDCDHM NC(=O)[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140579812 1167051795 /nfs/dbraw/zinc/05/17/95/1167051795.db2.gz HYQWJIPIGCCHCN-QMMMGPOBSA-N -1 3 270.279 1.368 20 10 CDCDHM O=C(CCc1ccc(O)c(O)c1)NCc1ncccc1[O-] ZINC001182155656 917693251 /nfs/dbraw/zinc/69/32/51/917693251.db2.gz LKJBHJBNHCETBE-UHFFFAOYSA-N -1 3 288.303 1.447 20 10 CDCDHM O=C(Nc1cn[nH]c(=O)c1)c1ccc([O-])c(O)c1Cl ZINC001193218558 923540665 /nfs/dbraw/zinc/54/06/65/923540665.db2.gz BDTJHDNKUKKENY-UHFFFAOYSA-N -1 3 281.655 1.499 20 10 CDCDHM COC(=O)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508733 937024767 /nfs/dbraw/zinc/02/47/67/937024767.db2.gz JTSATRAKLGWLGA-MRVPVSSYSA-N -1 3 271.263 1.665 20 10 CDCDHM COCC1(S(=O)(=O)[N-]c2ccc(O)cc2F)CC1 ZINC000882712755 930064171 /nfs/dbraw/zinc/06/41/71/930064171.db2.gz KQBVZXQLUYNURM-UHFFFAOYSA-N -1 3 275.301 1.452 20 10 CDCDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1c([O-])cccc1F ZINC000886557303 930905904 /nfs/dbraw/zinc/90/59/04/930905904.db2.gz XWQBVCQPTIUQOZ-JOYOIKCWSA-N -1 3 279.315 1.649 20 10 CDCDHM Cn1cc2c(n1)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001148214444 932667822 /nfs/dbraw/zinc/66/78/22/932667822.db2.gz SDOFTBVEHVEUAN-UHFFFAOYSA-N -1 3 273.292 1.030 20 10 CDCDHM CCCN(CCOC)C(=O)c1cccc(O)c1[O-] ZINC001148212769 932669035 /nfs/dbraw/zinc/66/90/35/932669035.db2.gz LIJIDFMSFDLVCP-UHFFFAOYSA-N -1 3 253.298 1.596 20 10 CDCDHM CO[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446471 942891796 /nfs/dbraw/zinc/89/17/96/942891796.db2.gz JIAISFMCOXBGLB-NSHDSACASA-N -1 3 251.282 1.311 20 10 CDCDHM CO[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446471 942891799 /nfs/dbraw/zinc/89/17/99/942891799.db2.gz JIAISFMCOXBGLB-NSHDSACASA-N -1 3 251.282 1.311 20 10 CDCDHM CC[N@H+](CCn1ccnc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453201 942896980 /nfs/dbraw/zinc/89/69/80/942896980.db2.gz DQAOEYCFTWDXKN-UHFFFAOYSA-N -1 3 289.335 1.809 20 10 CDCDHM CC[N@@H+](CCn1ccnc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453201 942896987 /nfs/dbraw/zinc/89/69/87/942896987.db2.gz DQAOEYCFTWDXKN-UHFFFAOYSA-N -1 3 289.335 1.809 20 10 CDCDHM Cc1cc([O-])c(CN2CCN(C3COC3)CC2)cc1Cl ZINC001231868984 943036242 /nfs/dbraw/zinc/03/62/42/943036242.db2.gz KIRNGFWFUUNWGM-UHFFFAOYSA-N -1 3 296.798 1.870 20 10 CDCDHM COc1cc([O-])c(CN2CCOC[C@H](O)C2)cc1Cl ZINC001232264065 943194937 /nfs/dbraw/zinc/19/49/37/943194937.db2.gz DERRMQJDUYWKOK-SNVBAGLBSA-N -1 3 287.743 1.247 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCN2CC[C@H]2C1 ZINC001233336745 943548497 /nfs/dbraw/zinc/54/84/97/943548497.db2.gz XXRUANGCHMJFEH-VIFPVBQESA-N -1 3 254.280 1.560 20 10 CDCDHM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(C)C1 ZINC001234473562 943857954 /nfs/dbraw/zinc/85/79/54/943857954.db2.gz HWFJBIJYVKPDJI-VIFPVBQESA-N -1 3 251.282 1.383 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CCn2cnc(CO)c2C1 ZINC001235502272 944176276 /nfs/dbraw/zinc/17/62/76/944176276.db2.gz RILZSEFZEPWDGW-UHFFFAOYSA-N -1 3 293.754 1.750 20 10 CDCDHM COc1cc([O-])c(CN(C)CC(=O)N(C)C)c(Cl)c1 ZINC001236799256 944569905 /nfs/dbraw/zinc/56/99/05/944569905.db2.gz KZMSPSDPPFLCKI-UHFFFAOYSA-N -1 3 286.759 1.574 20 10 CDCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC001237119736 944660623 /nfs/dbraw/zinc/66/06/23/944660623.db2.gz FEDNSYGZTNYBAU-LDYMZIIASA-N -1 3 289.734 1.360 20 10 CDCDHM CCOc1ccc(N2CCN(CCC(=O)[O-])CC2)cc1 ZINC000049873499 948916269 /nfs/dbraw/zinc/91/62/69/948916269.db2.gz CGZWGIMPFJRGBQ-UHFFFAOYSA-N -1 3 278.352 1.682 20 10 CDCDHM COC[C@@H](CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])OC ZINC001599162599 998483606 /nfs/dbraw/zinc/48/36/06/998483606.db2.gz CIBSQIHPCCOKEP-CMPLNLGQSA-N -1 3 297.351 1.793 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)CO)c1[O-] ZINC000135614301 361752258 /nfs/dbraw/zinc/75/22/58/361752258.db2.gz IUJALTQBBYXESN-MRVPVSSYSA-N -1 3 255.289 1.547 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)C(C)(C)C2)c1[O-] ZINC000279067826 362288320 /nfs/dbraw/zinc/28/83/20/362288320.db2.gz ADUZGXDAFOHPLW-CYBMUJFWSA-N -1 3 281.327 1.937 20 10 CDCDHM CN(Cc1c([O-])cccc1Br)[C@@H]1CCNC1=O ZINC000862252860 684547825 /nfs/dbraw/zinc/54/78/25/684547825.db2.gz HZDASNRLHWWEBI-SNVBAGLBSA-N -1 3 299.168 1.475 20 10 CDCDHM CN(CCN1CCOCC1)Cc1cccc(Cl)c1[O-] ZINC000180023768 357237361 /nfs/dbraw/zinc/23/73/61/357237361.db2.gz BBAUMXBXLTUGJE-UHFFFAOYSA-N -1 3 284.787 1.810 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CC[C@H](O)C2)c([O-])c1O ZINC000191344057 358127427 /nfs/dbraw/zinc/12/74/27/358127427.db2.gz ASFMCGCUAFODBD-UWVGGRQHSA-N -1 3 265.309 1.297 20 10 CDCDHM CC(C)(CCO)CNC(=O)c1cccc(O)c1[O-] ZINC000193135196 358268315 /nfs/dbraw/zinc/26/83/15/358268315.db2.gz BUPBGHXKCIPXQP-UHFFFAOYSA-N -1 3 253.298 1.236 20 10 CDCDHM C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cc(F)ccc1[O-] ZINC000272289814 365174065 /nfs/dbraw/zinc/17/40/65/365174065.db2.gz NZBSDUOICZCKHL-AUSHCKSDSA-N -1 3 271.357 1.873 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@H](C)C(=O)OC(C)C)c([O-])c1O ZINC000272705969 365359087 /nfs/dbraw/zinc/35/90/87/365359087.db2.gz CHJQPNIJBUNWMX-SNVBAGLBSA-N -1 3 295.335 1.818 20 10 CDCDHM CO[C@@H](C)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272723190 365366553 /nfs/dbraw/zinc/36/65/53/365366553.db2.gz FROGOZNGZCJWEG-VIFPVBQESA-N -1 3 253.298 1.561 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273377005 365490314 /nfs/dbraw/zinc/49/03/14/365490314.db2.gz HKFOSTNVAMZSPD-ZJUUUORDSA-N -1 3 294.351 1.354 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nncn2C)c1 ZINC000273394917 365490920 /nfs/dbraw/zinc/49/09/20/365490920.db2.gz LQNVGYJXOBRWEZ-VIFPVBQESA-N -1 3 290.323 1.158 20 10 CDCDHM O=C1N[C@H]2CCN(Cc3c([O-])cccc3Cl)C[C@@H]2CO1 ZINC000281409701 367633706 /nfs/dbraw/zinc/63/37/06/367633706.db2.gz YEOJSIPCBILEQV-SKDRFNHKSA-N -1 3 296.754 1.976 20 10 CDCDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCCF ZINC000282862927 368075235 /nfs/dbraw/zinc/07/52/35/368075235.db2.gz UUQFQUXTZLIHBW-DTWKUNHWSA-N -1 3 299.302 1.425 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CC(=O)N1 ZINC000294910446 378660607 /nfs/dbraw/zinc/66/06/07/378660607.db2.gz DYHMTRUSJMAJFK-QMMMGPOBSA-N -1 3 254.717 1.366 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](CO)CC(C)C)c([O-])c1O ZINC000182901560 391246897 /nfs/dbraw/zinc/24/68/97/391246897.db2.gz WMGAUKXIVUDEEF-SNVBAGLBSA-N -1 3 267.325 1.543 20 10 CDCDHM CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000179547579 391210753 /nfs/dbraw/zinc/21/07/53/391210753.db2.gz TWYYPSCJACZMOE-LLVKDONJSA-N -1 3 292.335 1.147 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN(C2CCOCC2)CC1 ZINC000272234645 391310621 /nfs/dbraw/zinc/31/06/21/391310621.db2.gz FKRJQUYEKZLPQK-UHFFFAOYSA-N -1 3 294.370 1.828 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273433950 285575635 /nfs/dbraw/zinc/57/56/35/285575635.db2.gz WMVBLMSQFMATJV-IUCAKERBSA-N -1 3 281.312 1.476 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000368586362 262102213 /nfs/dbraw/zinc/10/22/13/262102213.db2.gz XQCSKNGZMCBLDR-JTQLQIEISA-N -1 3 294.326 1.431 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCS[C@@H]2COCC[C@H]21 ZINC000275078677 526772328 /nfs/dbraw/zinc/77/23/28/526772328.db2.gz DBRSQXKEYPQYFC-ZYHUDNBSSA-N -1 3 295.360 1.444 20 10 CDCDHM O=C([O-])[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccccc1[O-] ZINC001601640374 1174923405 /nfs/dbraw/zinc/92/34/05/1174923405.db2.gz BOCSAICTYWYKEY-NEPJUHHUSA-N -1 3 265.309 1.504 20 10 CDCDHM CNC(=O)[C@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000732271001 575085264 /nfs/dbraw/zinc/08/52/64/575085264.db2.gz MGFWGBFVXODIEX-SECBINFHSA-N -1 3 268.338 1.194 20 10 CDCDHM CCO[C@H]1COCC[C@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000760053885 576455406 /nfs/dbraw/zinc/45/54/06/576455406.db2.gz RSJURPMDDVSRBI-NEPJUHHUSA-N -1 3 295.335 1.330 20 10 CDCDHM CCc1nn(C)c(OC)c1CNC(=O)c1cc([O-])cs1 ZINC000772939580 575769119 /nfs/dbraw/zinc/76/91/19/575769119.db2.gz VVKGDYIZBJPVFB-UHFFFAOYSA-N -1 3 295.364 1.688 20 10 CDCDHM CCOc1ccc(CNCC(F)(F)CO)c([O-])c1 ZINC000767194832 576167081 /nfs/dbraw/zinc/16/70/81/576167081.db2.gz NVUWVNFRHDYITG-UHFFFAOYSA-N -1 3 261.268 1.508 20 10 CDCDHM COc1cccc([O-])c1CN1CCC(S(C)(=O)=O)CC1 ZINC000769485644 576358297 /nfs/dbraw/zinc/35/82/97/576358297.db2.gz XTLHIBRSOZHWKC-UHFFFAOYSA-N -1 3 299.392 1.410 20 10 CDCDHM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cc([O-])cs1 ZINC000760141753 576460594 /nfs/dbraw/zinc/46/05/94/576460594.db2.gz XOUGSXGMPZIUIQ-IUCAKERBSA-N -1 3 255.339 1.999 20 10 CDCDHM O=C(NCc1ccccc1O)c1cc2c(cc1[O-])OCO2 ZINC000748345952 576906644 /nfs/dbraw/zinc/90/66/44/576906644.db2.gz SKHAMIFKDNCBSV-UHFFFAOYSA-N -1 3 287.271 1.757 20 10 CDCDHM CC(C)(C)N1C[C@@H](NC(=O)c2cc([O-])cs2)CC1=O ZINC000752816623 577129640 /nfs/dbraw/zinc/12/96/40/577129640.db2.gz LPVIATXDEKANTH-QMMMGPOBSA-N -1 3 282.365 1.583 20 10 CDCDHM O=C([O-])C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000821511346 598097941 /nfs/dbraw/zinc/09/79/41/598097941.db2.gz INMRYLLNXANCLW-CYBMUJFWSA-N -1 3 293.319 1.115 20 10 CDCDHM CN(Cc1ccccc1O)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821615789 606258498 /nfs/dbraw/zinc/25/84/98/606258498.db2.gz NMKBWAXPZSQJIE-UHFFFAOYSA-N -1 3 298.306 1.173 20 10 CDCDHM CN(Cc1ccccc1O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821615789 606258500 /nfs/dbraw/zinc/25/85/00/606258500.db2.gz NMKBWAXPZSQJIE-UHFFFAOYSA-N -1 3 298.306 1.173 20 10 CDCDHM NC(=O)N1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893988018 618238351 /nfs/dbraw/zinc/23/83/51/618238351.db2.gz XFGOFVVKRWKBPH-UHFFFAOYSA-N -1 3 285.294 1.257 20 10 CDCDHM CC(C)C(=O)NCCN(C)Cc1cc(F)cc(F)c1[O-] ZINC000894093449 618381291 /nfs/dbraw/zinc/38/12/91/618381291.db2.gz DOQKHYHENGZTPV-UHFFFAOYSA-N -1 3 286.322 1.874 20 10 CDCDHM COC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000839919532 618417404 /nfs/dbraw/zinc/41/74/04/618417404.db2.gz YICGLVPCWZJJMY-HNNXBMFYSA-N -1 3 293.319 1.513 20 10 CDCDHM CC(C)N1CC[C@@H](NCc2cc(F)cc(F)c2[O-])C1=O ZINC000708409344 685325463 /nfs/dbraw/zinc/32/54/63/685325463.db2.gz MNFMBSJSRZWPTJ-GFCCVEGCSA-N -1 3 284.306 1.769 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000846067698 685354520 /nfs/dbraw/zinc/35/45/20/685354520.db2.gz JAXZBSYXJSAKMZ-GFCCVEGCSA-N -1 3 282.771 1.296 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC2(CCC2)O1 ZINC000844100161 685593917 /nfs/dbraw/zinc/59/39/17/685593917.db2.gz GOFPVZPBVMOKMV-SNVBAGLBSA-N -1 3 277.320 1.881 20 10 CDCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000783733702 684838497 /nfs/dbraw/zinc/83/84/97/684838497.db2.gz ITSIHYQXHTVEII-TVQRCGJNSA-N -1 3 271.719 1.999 20 10 CDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C=CCC2)c1 ZINC000855428081 684885981 /nfs/dbraw/zinc/88/59/81/684885981.db2.gz SFOMWCVQEVNURV-VIFPVBQESA-N -1 3 296.348 1.212 20 10 CDCDHM O=C(NCCCOC(F)F)c1cccc(O)c1[O-] ZINC000398229272 685852371 /nfs/dbraw/zinc/85/23/71/685852371.db2.gz XEQOHBWXSKJXEF-UHFFFAOYSA-N -1 3 261.224 1.457 20 10 CDCDHM CO[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCO1 ZINC000878966769 685917383 /nfs/dbraw/zinc/91/73/83/685917383.db2.gz NANXBXLNWVHDCA-ZDUSSCGKSA-N -1 3 283.299 1.539 20 10 CDCDHM C[C@@H]1CSCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000380380727 686072009 /nfs/dbraw/zinc/07/20/09/686072009.db2.gz OJHVZHXWRKZBEL-VIFPVBQESA-N -1 3 267.350 1.923 20 10 CDCDHM CC(=O)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000854724333 686227291 /nfs/dbraw/zinc/22/72/91/686227291.db2.gz PGQRKXHOLZELEB-LLVKDONJSA-N -1 3 263.293 1.682 20 10 CDCDHM CN(Cc1cc(Cl)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000132400752 686673693 /nfs/dbraw/zinc/67/36/93/686673693.db2.gz MRFYOCBEOBIXPY-NSHDSACASA-N -1 3 289.784 1.665 20 10 CDCDHM O=C(N[C@@H]1CCCC12OCCO2)c1cccc(O)c1[O-] ZINC000716058373 686771213 /nfs/dbraw/zinc/77/12/13/686771213.db2.gz RIONRJQHEMKMBJ-LLVKDONJSA-N -1 3 279.292 1.123 20 10 CDCDHM CC[C@@]1(NC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000386094707 686870066 /nfs/dbraw/zinc/87/00/66/686870066.db2.gz PZLCICVEWZTYLR-CYBMUJFWSA-N -1 3 251.282 1.397 20 10 CDCDHM CO[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000825017541 687306528 /nfs/dbraw/zinc/30/65/28/687306528.db2.gz UFWKACOFGORYGA-GHMZBOCLSA-N -1 3 257.717 1.237 20 10 CDCDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1c([O-])cccc1F ZINC000886557302 687329645 /nfs/dbraw/zinc/32/96/45/687329645.db2.gz XWQBVCQPTIUQOZ-CABZTGNLSA-N -1 3 279.315 1.649 20 10 CDCDHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000790759159 687900461 /nfs/dbraw/zinc/90/04/61/687900461.db2.gz GJSFOIJRESQTSE-OTYXRUKQSA-N -1 3 267.325 1.625 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](CO)OC[C@@H]2C)c1[O-] ZINC000129270366 688183245 /nfs/dbraw/zinc/18/32/45/688183245.db2.gz ZIQSRVGNASVLMZ-ZANVPECISA-N -1 3 297.326 1.316 20 10 CDCDHM COc1ccc(C[NH2+][C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c([O-])c1 ZINC001607260013 1164137875 /nfs/dbraw/zinc/13/78/75/1164137875.db2.gz LXLNXFPPXSCFAD-AUZPSNTRSA-N -1 3 291.347 1.990 20 10 CDCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCO1 ZINC001181587813 917187316 /nfs/dbraw/zinc/18/73/16/917187316.db2.gz TVBAAJYOXLBBKR-LLVKDONJSA-N -1 3 292.722 1.999 20 10 CDCDHM CN1C[C@@H]2CN(Cc3cccc(Cl)c3[O-])C[C@H](C1)O2 ZINC001276380013 936617626 /nfs/dbraw/zinc/61/76/26/936617626.db2.gz FMMQAHSZMNKPBG-TXEJJXNPSA-N -1 3 282.771 1.560 20 10 CDCDHM CCN1C[C@@H]2C[C@H]1CN2Cc1c(F)ccc(F)c1[O-] ZINC001139688856 936635659 /nfs/dbraw/zinc/63/56/59/936635659.db2.gz BYHIQLYHJDCMJV-UWVGGRQHSA-N -1 3 268.307 1.949 20 10 CDCDHM Cn1ncc2c1CCN(Cc1c([O-])cccc1F)C2 ZINC001137840172 923117382 /nfs/dbraw/zinc/11/73/82/923117382.db2.gz SFAMRDMKDDNVFL-UHFFFAOYSA-N -1 3 261.300 1.823 20 10 CDCDHM Cc1ccc([O-])c(C(=O)N2CCc3cccc(O)c3C2)n1 ZINC001195324916 924526126 /nfs/dbraw/zinc/52/61/26/924526126.db2.gz WZAJFNRSGVOTNC-UHFFFAOYSA-N -1 3 284.315 2.000 20 10 CDCDHM COCCN1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142513160 937025745 /nfs/dbraw/zinc/02/57/45/937025745.db2.gz ZQKWLUQNSVXZFR-UHFFFAOYSA-N -1 3 286.322 1.434 20 10 CDCDHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccccc1O ZINC001115925841 937424670 /nfs/dbraw/zinc/42/46/70/937424670.db2.gz ZSEWUKCWMRMJPW-UHFFFAOYSA-N -1 3 287.319 1.445 20 10 CDCDHM Cc1nc(Cl)c(N)c(=N)n1C(=O)c1cccc(O)c1[O-] ZINC001148212006 932668953 /nfs/dbraw/zinc/66/89/53/932668953.db2.gz HQXUBKYSWVNOBZ-UHFFFAOYSA-N -1 3 294.698 1.006 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001148218858 932670614 /nfs/dbraw/zinc/67/06/14/932670614.db2.gz OCNUXTLJCUPGCE-JTQLQIEISA-N -1 3 293.319 1.465 20 10 CDCDHM C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cncnc1 ZINC001148589998 932753930 /nfs/dbraw/zinc/75/39/30/932753930.db2.gz UVWVNXMKGSWROD-ZETCQYMHSA-N -1 3 275.264 1.084 20 10 CDCDHM O=C1COC[C@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC001203663978 939700322 /nfs/dbraw/zinc/70/03/22/939700322.db2.gz JJHPDJGCWHKWAN-GFCCVEGCSA-N -1 3 296.754 1.089 20 10 CDCDHM Nc1ccc(CC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001218856680 941280129 /nfs/dbraw/zinc/28/01/29/941280129.db2.gz TVUMEYVFCXXHDG-UHFFFAOYSA-N -1 3 294.318 1.630 20 10 CDCDHM Nc1ccc(CC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001218856680 941280132 /nfs/dbraw/zinc/28/01/32/941280132.db2.gz TVUMEYVFCXXHDG-UHFFFAOYSA-N -1 3 294.318 1.630 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c([O-])c1 ZINC001231446841 942891286 /nfs/dbraw/zinc/89/12/86/942891286.db2.gz LOKHKYOBEFFWNA-VXGBXAGGSA-N -1 3 283.299 1.385 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c([O-])c1 ZINC001231446841 942891289 /nfs/dbraw/zinc/89/12/89/942891289.db2.gz LOKHKYOBEFFWNA-VXGBXAGGSA-N -1 3 283.299 1.385 20 10 CDCDHM CNC(=O)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446214 942891678 /nfs/dbraw/zinc/89/16/78/942891678.db2.gz FRAVFLOPTPKAKC-UHFFFAOYSA-N -1 3 292.335 1.048 20 10 CDCDHM C[C@]1(O)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446996 942893832 /nfs/dbraw/zinc/89/38/32/942893832.db2.gz NIEBRSGJIDGGLC-ZDUSSCGKSA-N -1 3 251.282 1.047 20 10 CDCDHM C[C@]1(O)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446996 942893837 /nfs/dbraw/zinc/89/38/37/942893837.db2.gz NIEBRSGJIDGGLC-ZDUSSCGKSA-N -1 3 251.282 1.047 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2CO)c([O-])c1 ZINC001231448630 942894859 /nfs/dbraw/zinc/89/48/59/942894859.db2.gz LRRLXBATZTZRQE-LBPRGKRZSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCCC[C@H]2CO)c([O-])c1 ZINC001231448630 942894863 /nfs/dbraw/zinc/89/48/63/942894863.db2.gz LRRLXBATZTZRQE-LBPRGKRZSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc(O)c(CN2CC3(C2)CCOC3)c1 ZINC001231559360 942926265 /nfs/dbraw/zinc/92/62/65/942926265.db2.gz BMYZFKNXMBXLIN-UHFFFAOYSA-N -1 3 263.293 1.313 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](O)[C@H](CO)C1 ZINC001231910946 943050276 /nfs/dbraw/zinc/05/02/76/943050276.db2.gz WSSYRXTZDHFMCT-CMPLNLGQSA-N -1 3 271.744 1.221 20 10 CDCDHM CN1CCO[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233333089 943546977 /nfs/dbraw/zinc/54/69/77/943546977.db2.gz JGEAMHLMZKTHPE-YPMHNXCESA-N -1 3 284.306 1.185 20 10 CDCDHM COc1cc([O-])c(CN2C[C@H](F)C[C@H]2CO)c(Cl)c1 ZINC001236799687 944573707 /nfs/dbraw/zinc/57/37/07/944573707.db2.gz VWMUPEPXRLWARR-BDAKNGLRSA-N -1 3 289.734 1.959 20 10 CDCDHM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(F)c(F)cc1[O-] ZINC001308691336 956565599 /nfs/dbraw/zinc/56/55/99/956565599.db2.gz BQQZRDAOECFHET-YACGNSKGSA-N -1 3 296.317 1.756 20 10 CDCDHM C[C@H](NCc1nnc2n1CCOC2)c1ccc(F)cc1[O-] ZINC001320702292 959336306 /nfs/dbraw/zinc/33/63/06/959336306.db2.gz QNSMYNNDIQXQDM-VIFPVBQESA-N -1 3 292.314 1.504 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(F)(F)OC(F)(F)C1 ZINC001352987990 967616521 /nfs/dbraw/zinc/61/65/21/967616521.db2.gz UHRIKCQSFQHWFY-UHFFFAOYSA-N -1 3 295.188 1.756 20 10 CDCDHM C[C@H]([NH2+]CC1(CO)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248725 994473953 /nfs/dbraw/zinc/47/39/53/994473953.db2.gz LIWKDAGBMVCXDL-VIFPVBQESA-N -1 3 265.309 1.514 20 10 CDCDHM COC[C@H](CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])OC ZINC001599162600 998484087 /nfs/dbraw/zinc/48/40/87/998484087.db2.gz CIBSQIHPCCOKEP-JQWIXIFHSA-N -1 3 297.351 1.793 20 10 CDCDHM CCCCN1CC(=O)N[C@@H]1c1cc(OC)ccc1[O-] ZINC000077475013 342328934 /nfs/dbraw/zinc/32/89/34/342328934.db2.gz BCSSDTBSEPNAFE-AWEZNQCLSA-N -1 3 264.325 1.631 20 10 CDCDHM COc1cc(Cl)cc(CN2CC(CC(N)=O)C2)c1[O-] ZINC000297397847 200175534 /nfs/dbraw/zinc/17/55/34/200175534.db2.gz LDVJAQCWVCGTLI-UHFFFAOYSA-N -1 3 284.743 1.361 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000366410784 361612212 /nfs/dbraw/zinc/61/22/12/361612212.db2.gz XNRZZQJNGZFRNU-WDNDVIMCSA-N -1 3 295.766 1.918 20 10 CDCDHM COC(=O)[C@@]1(F)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000271309116 364979616 /nfs/dbraw/zinc/97/96/16/364979616.db2.gz VCJISYFGVZNGFY-CQSZACIVSA-N -1 3 297.282 1.133 20 10 CDCDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1ccccc1[O-] ZINC000271440303 364984106 /nfs/dbraw/zinc/98/41/06/364984106.db2.gz RUVXVDAEBGLWBL-CZIZLABSSA-N -1 3 253.367 1.734 20 10 CDCDHM CCCOC(=O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272863761 365424096 /nfs/dbraw/zinc/42/40/96/365424096.db2.gz VEYLILCEOYBFET-UHFFFAOYSA-N -1 3 281.308 1.479 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273433948 365495226 /nfs/dbraw/zinc/49/52/26/365495226.db2.gz WMVBLMSQFMATJV-BDAKNGLRSA-N -1 3 281.312 1.476 20 10 CDCDHM CO[C@H]1CCN(C(=O)c2cccc(O)c2[O-])CC1(C)C ZINC000296298888 371700299 /nfs/dbraw/zinc/70/02/99/371700299.db2.gz YDHXYKPUXVKLKP-LBPRGKRZSA-N -1 3 279.336 1.985 20 10 CDCDHM CC(C)NC(=O)OC1CN(Cc2ccccc2[O-])C1 ZINC000297509944 371998562 /nfs/dbraw/zinc/99/85/62/371998562.db2.gz XBSFYAAOMWSCKF-UHFFFAOYSA-N -1 3 264.325 1.711 20 10 CDCDHM NC(=O)[C@H]1CN(Cc2c([O-])ccc3ccccc32)CCO1 ZINC000050926860 375533210 /nfs/dbraw/zinc/53/32/10/375533210.db2.gz OPQGRMDCCIDUGH-OAHLLOKOSA-N -1 3 286.331 1.232 20 10 CDCDHM O=C(NCCC1(O)CCC1)c1cccc(O)c1[O-] ZINC000285666342 377766256 /nfs/dbraw/zinc/76/62/56/377766256.db2.gz KHBAWMBMZZDIAB-UHFFFAOYSA-N -1 3 251.282 1.133 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CO)C2)c([O-])c1O ZINC000295786234 378698324 /nfs/dbraw/zinc/69/83/24/378698324.db2.gz AIZPBYNHZKLGQU-ZJUUUORDSA-N -1 3 265.309 1.297 20 10 CDCDHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccccc1[O-] ZINC000179575593 391212951 /nfs/dbraw/zinc/21/29/51/391212951.db2.gz JXYBWWVDSSJGOM-GHMZBOCLSA-N -1 3 271.382 1.646 20 10 CDCDHM CC[C@@H](C)NC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000126360802 260349515 /nfs/dbraw/zinc/34/95/15/260349515.db2.gz PXBJOSCWABZZAF-SECBINFHSA-N -1 3 280.324 1.132 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H]2CCC[C@H]21 ZINC000126348996 260350572 /nfs/dbraw/zinc/35/05/72/260350572.db2.gz MJTRGACPORYLIW-PWSUYJOCSA-N -1 3 263.293 1.491 20 10 CDCDHM C[C@@H]([NH2+]CCC[C@H](C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589998328 1173226889 /nfs/dbraw/zinc/22/68/89/1173226889.db2.gz RKGQXFXBNMKENH-VHSXEESVSA-N -1 3 291.355 1.384 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000375694629 267888750 /nfs/dbraw/zinc/88/87/50/267888750.db2.gz YLHBDDXDNUAPOU-MNOVXSKESA-N -1 3 277.320 1.596 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c([O-])c1O ZINC000182445326 329239422 /nfs/dbraw/zinc/23/94/22/329239422.db2.gz UBHATOUFVYHIBF-SNVBAGLBSA-N -1 3 287.319 1.417 20 10 CDCDHM O=C(/C=C\c1cncc([O-])c1)N1C[C@H](O)Cc2ccccc21 ZINC000492963293 332420439 /nfs/dbraw/zinc/42/04/39/332420439.db2.gz ZUXVVMVSCCKHHY-IYKSTZQJSA-N -1 3 296.326 1.751 20 10 CDCDHM COC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000275057517 522854355 /nfs/dbraw/zinc/85/43/55/522854355.db2.gz YHTCZGFCHYMQTD-UHFFFAOYSA-N -1 3 293.319 1.704 20 10 CDCDHM CO[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279397755 523568358 /nfs/dbraw/zinc/56/83/58/523568358.db2.gz WFNZXVASAMRRSM-CMPLNLGQSA-N -1 3 265.309 1.785 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nnc2n1CCC2 ZINC000280148771 525232394 /nfs/dbraw/zinc/23/23/94/525232394.db2.gz RKLVOUBLIIRHFK-QMMMGPOBSA-N -1 3 288.307 1.127 20 10 CDCDHM Cc1ccc(C(=O)NO[C@H]2CCCCO2)c([O-])c1O ZINC000267608068 526192061 /nfs/dbraw/zinc/19/20/61/526192061.db2.gz QTXKDXWOWSSSSM-JTQLQIEISA-N -1 3 267.281 1.594 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000732289052 575087195 /nfs/dbraw/zinc/08/71/95/575087195.db2.gz KCHSRGOZQXIVOT-NEPJUHHUSA-N -1 3 296.392 1.125 20 10 CDCDHM O=C1CN(Cc2c([O-])cccc2Cl)CCCN1 ZINC000769116868 576331943 /nfs/dbraw/zinc/33/19/43/576331943.db2.gz WNJKLWSSWCVUKF-UHFFFAOYSA-N -1 3 254.717 1.368 20 10 CDCDHM CCOc1ccc(CN2CCC3(C2)OCCO3)c([O-])c1 ZINC000769310253 576344524 /nfs/dbraw/zinc/34/45/24/576344524.db2.gz JQFTWLJJXOLEGO-UHFFFAOYSA-N -1 3 279.336 1.740 20 10 CDCDHM COc1cccc([O-])c1CN1CCc2c[nH]nc2C1 ZINC000769468762 576356998 /nfs/dbraw/zinc/35/69/98/576356998.db2.gz OIMYMPKCRJOCOF-UHFFFAOYSA-N -1 3 259.309 1.682 20 10 CDCDHM COCc1nc(COC(=O)c2cc([O-])cs2)no1 ZINC000759521890 576397474 /nfs/dbraw/zinc/39/74/74/576397474.db2.gz HETPKIYTNHYBSU-UHFFFAOYSA-N -1 3 270.266 1.340 20 10 CDCDHM O=C(N[C@H](CO)CC(F)F)c1cc([O-])cs1 ZINC000760919447 576524956 /nfs/dbraw/zinc/52/49/56/576524956.db2.gz DGEQWUGXGDCEKL-YFKPBYRVSA-N -1 3 251.254 1.200 20 10 CDCDHM CCOC(=O)C[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000761029382 576533816 /nfs/dbraw/zinc/53/38/16/576533816.db2.gz OMPXBHXAHUVGRY-QMMMGPOBSA-N -1 3 271.338 1.773 20 10 CDCDHM Cn1ccnc1[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000756809832 577005955 /nfs/dbraw/zinc/00/59/55/577005955.db2.gz RVQYJXLJIJSZRP-VIFPVBQESA-N -1 3 277.349 1.817 20 10 CDCDHM COC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000751533821 577048905 /nfs/dbraw/zinc/04/89/05/577048905.db2.gz SHJQETZCSPPTSR-UHFFFAOYSA-N -1 3 265.309 1.657 20 10 CDCDHM CCOC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000751533870 577049148 /nfs/dbraw/zinc/04/91/48/577049148.db2.gz DMVDFTVBKGSFOP-MRVPVSSYSA-N -1 3 267.281 1.088 20 10 CDCDHM C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000833554041 604544551 /nfs/dbraw/zinc/54/45/51/604544551.db2.gz MPZDNGSCXGLQNE-DOMZBBRYSA-N -1 3 293.319 1.115 20 10 CDCDHM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000833554041 604544554 /nfs/dbraw/zinc/54/45/54/604544554.db2.gz MPZDNGSCXGLQNE-DOMZBBRYSA-N -1 3 293.319 1.115 20 10 CDCDHM CCN1CCO[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759382 617321062 /nfs/dbraw/zinc/32/10/62/617321062.db2.gz AITVYPGRURSSLT-GFCCVEGCSA-N -1 3 298.770 1.383 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000895259358 619503069 /nfs/dbraw/zinc/50/30/69/619503069.db2.gz LIJLJUUJPWEDBO-CYBMUJFWSA-N -1 3 298.333 1.577 20 10 CDCDHM O=C1OCC[C@@H]1NCc1cc(Br)ccc1[O-] ZINC000895799058 619850492 /nfs/dbraw/zinc/85/04/92/619850492.db2.gz MHOOMWLSHCWAKZ-VIFPVBQESA-N -1 3 286.125 1.560 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1O ZINC000897680252 621067763 /nfs/dbraw/zinc/06/77/63/621067763.db2.gz HMHWUNUXDNFXHE-WRWORJQWSA-N -1 3 259.708 1.997 20 10 CDCDHM O=C1CCCN1C1CN(Cc2cc(F)ccc2[O-])C1 ZINC000897783940 621119716 /nfs/dbraw/zinc/11/97/16/621119716.db2.gz MWNFSCBZDAEWSX-UHFFFAOYSA-N -1 3 264.300 1.338 20 10 CDCDHM C[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000123449011 688604562 /nfs/dbraw/zinc/60/45/62/688604562.db2.gz IXICDCDZUOUDAH-QMMMGPOBSA-N -1 3 254.717 1.366 20 10 CDCDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCCO1 ZINC000126482417 688842958 /nfs/dbraw/zinc/84/29/58/688842958.db2.gz GMLCWHXLXCZZEU-ZDUSSCGKSA-N -1 3 251.282 1.397 20 10 CDCDHM CC(C)N1CCN(Cc2c([O-])ccc3ccncc32)CC1=O ZINC000779882172 688889962 /nfs/dbraw/zinc/88/99/62/688889962.db2.gz HQKAQGIHEBSTOW-UHFFFAOYSA-N -1 3 299.374 1.993 20 10 CDCDHM C[C@H](NCC(F)(F)CN)c1cc(F)cc(F)c1[O-] ZINC000817966494 694316814 /nfs/dbraw/zinc/31/68/14/694316814.db2.gz PBPQHWQRMYPPAN-LURJTMIESA-N -1 3 266.238 1.915 20 10 CDCDHM Cc1nccnc1CCNC(=O)c1cccc(O)c1[O-] ZINC000818540282 692132641 /nfs/dbraw/zinc/13/26/41/692132641.db2.gz KQUZTNSCWPWEFP-UHFFFAOYSA-N -1 3 273.292 1.169 20 10 CDCDHM Cc1ccc(C(=O)NOCC2CCC2)c([O-])c1O ZINC000856350496 692553454 /nfs/dbraw/zinc/55/34/54/692553454.db2.gz XFKBURCKEISSIC-UHFFFAOYSA-N -1 3 251.282 1.868 20 10 CDCDHM CCN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCNC1=O ZINC000799737716 692594612 /nfs/dbraw/zinc/59/46/12/692594612.db2.gz LVMYCAKKEGWRDS-LLVKDONJSA-N -1 3 286.734 1.895 20 10 CDCDHM CCN(CC(=O)N(C)C)Cc1cc(F)cc(F)c1[O-] ZINC000708413726 692614217 /nfs/dbraw/zinc/61/42/17/692614217.db2.gz NKCCTURXTVMTKV-UHFFFAOYSA-N -1 3 272.295 1.581 20 10 CDCDHM C[C@H](NCC(=O)NCC(F)(F)F)c1c([O-])cccc1F ZINC000886514509 692690682 /nfs/dbraw/zinc/69/06/82/692690682.db2.gz RGEZADRXNSGSLR-ZETCQYMHSA-N -1 3 294.248 1.860 20 10 CDCDHM O=C(NOCc1ccccc1)c1cccc(O)c1[O-] ZINC000126609901 692732635 /nfs/dbraw/zinc/73/26/35/692732635.db2.gz QIIKOQMLQVDKMR-UHFFFAOYSA-N -1 3 259.261 1.959 20 10 CDCDHM O=C(NC[C@@H](O)c1ccccc1F)c1cccc(O)c1[O-] ZINC000187161432 693043779 /nfs/dbraw/zinc/04/37/79/693043779.db2.gz XRFHCFCIOGKFGG-CYBMUJFWSA-N -1 3 291.278 1.700 20 10 CDCDHM CSCC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126546458 693048262 /nfs/dbraw/zinc/04/82/62/693048262.db2.gz OLEZTDLWJDFGTC-QMMMGPOBSA-N -1 3 255.339 1.969 20 10 CDCDHM O=C(NCC[C@@H](O)c1ccccc1)c1cccc(O)c1[O-] ZINC000790805892 693304607 /nfs/dbraw/zinc/30/46/07/693304607.db2.gz SCJIJGZAUSPNTK-CYBMUJFWSA-N -1 3 287.315 1.951 20 10 CDCDHM CC(=O)NC1CN(Cc2ccc3ccccc3c2[O-])C1 ZINC000839102802 694785756 /nfs/dbraw/zinc/78/57/56/694785756.db2.gz YVHVGCVLENCGJA-UHFFFAOYSA-N -1 3 270.332 1.866 20 10 CDCDHM CN(Cc1nncn1C)Cc1cc(Cl)ccc1[O-] ZINC000386338070 694886613 /nfs/dbraw/zinc/88/66/13/694886613.db2.gz LCHSZQKXGAEQJM-UHFFFAOYSA-N -1 3 266.732 1.806 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](CO)O1 ZINC000787418490 694890741 /nfs/dbraw/zinc/89/07/41/694890741.db2.gz WQRMNMXXDLRWFN-VHSXEESVSA-N -1 3 271.744 1.627 20 10 CDCDHM CC(C)CN(CC(N)=O)Cc1c([O-])cccc1Cl ZINC000132900583 694893579 /nfs/dbraw/zinc/89/35/79/694893579.db2.gz WTPOJQVMOXHGSU-UHFFFAOYSA-N -1 3 270.760 1.989 20 10 CDCDHM C[C@@H]([NH2+]CC1COC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604337264 1163156507 /nfs/dbraw/zinc/15/65/07/1163156507.db2.gz FFIIAHBMWHRQIE-MRVPVSSYSA-N -1 3 251.282 1.387 20 10 CDCDHM Cc1cccc([O-])c1C[NH2+]C[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600543432 1174501195 /nfs/dbraw/zinc/50/11/95/1174501195.db2.gz WDPCMBKWOSHVIK-ZWNOBZJWSA-N -1 3 265.309 1.280 20 10 CDCDHM CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607390174 1164162834 /nfs/dbraw/zinc/16/28/34/1164162834.db2.gz QXHAMPJMSWCOCU-MWODSPESSA-N -1 3 299.392 1.853 20 10 CDCDHM C[C@@H](NCc1nc(=O)n(C)[n-]1)c1ccc(N(C)C)cc1 ZINC000775832969 723680250 /nfs/dbraw/zinc/68/02/50/723680250.db2.gz DGDJLOVHBVAGIY-SNVBAGLBSA-N -1 3 275.356 1.025 20 10 CDCDHM C[C@@H](O)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000855870174 723349937 /nfs/dbraw/zinc/34/99/37/723349937.db2.gz WNWHNXONEXENFI-PSASIEDQSA-N -1 3 251.282 1.083 20 10 CDCDHM COC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140465389 896210185 /nfs/dbraw/zinc/21/01/85/896210185.db2.gz LHVPPDHAMXUOCI-LBPRGKRZSA-N -1 3 271.744 1.893 20 10 CDCDHM CN1CCN(Cc2ccc(Cl)cc2[O-])CCC1=O ZINC001140466679 896239132 /nfs/dbraw/zinc/23/91/32/896239132.db2.gz KVNRSVXBSUYZFU-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM COC(=O)C1(O)CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464236 936712390 /nfs/dbraw/zinc/71/23/90/936712390.db2.gz HSVTVVPHKGUDSQ-UHFFFAOYSA-N -1 3 299.754 1.546 20 10 CDCDHM N=C(NC(=O)c1ccc([O-])c(O)c1Cl)c1ncc[nH]1 ZINC001193236688 923556409 /nfs/dbraw/zinc/55/64/09/923556409.db2.gz NDRBZTXJGPXPFM-UHFFFAOYSA-N -1 3 280.671 1.230 20 10 CDCDHM CN1CN(Cc2c([O-])cccc2Br)CC1=O ZINC000862309444 929398456 /nfs/dbraw/zinc/39/84/56/929398456.db2.gz QEFRFXXJNTTYCR-UHFFFAOYSA-N -1 3 285.141 1.386 20 10 CDCDHM C[C@@]1(CO)CN(Cc2c([O-])c(F)ccc2F)CC[C@@H]1O ZINC001139684704 937421580 /nfs/dbraw/zinc/42/15/80/937421580.db2.gz KKVLCJGFIJXZMF-JSGCOSHPSA-N -1 3 287.306 1.236 20 10 CDCDHM CN(C)c1cc(NC(=O)c2cccc(O)c2[O-])[nH]n1 ZINC001148211869 932666637 /nfs/dbraw/zinc/66/66/37/932666637.db2.gz AEZJRSWYJWJUPF-UHFFFAOYSA-N -1 3 262.269 1.139 20 10 CDCDHM O=C(Nc1cccc2c1NC(=O)NC2)c1cccc(O)c1[O-] ZINC001148218723 932670670 /nfs/dbraw/zinc/67/06/70/932670670.db2.gz IQAHYNAFPAVIJS-UHFFFAOYSA-N -1 3 299.286 1.985 20 10 CDCDHM O=C(NCc1cnc2[nH]ccc2c1)c1cccc(O)c1[O-] ZINC001148219860 932671762 /nfs/dbraw/zinc/67/17/62/932671762.db2.gz CJTMFPURRPKDEO-UHFFFAOYSA-N -1 3 283.287 1.904 20 10 CDCDHM O=C(Nc1nccnc1C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148581741 932751241 /nfs/dbraw/zinc/75/12/41/932751241.db2.gz UIRVCTOVYMUGKL-UHFFFAOYSA-N -1 3 287.275 1.723 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)[C@@H](C)CO1 ZINC001148587228 932753222 /nfs/dbraw/zinc/75/32/22/932753222.db2.gz FGVYUAZSRLRJNJ-JGVFFNPUSA-N -1 3 267.281 1.053 20 10 CDCDHM C[C@@H](CCCC(C)(C)O)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589897 932754198 /nfs/dbraw/zinc/75/41/98/932754198.db2.gz PVZVQEVBMGDTGQ-VIFPVBQESA-N -1 3 297.351 1.863 20 10 CDCDHM CO[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC001158622538 938642970 /nfs/dbraw/zinc/64/29/70/938642970.db2.gz QWJZIVBAVAJKFP-BXKDBHETSA-N -1 3 265.309 1.595 20 10 CDCDHM C[C@@]1(CO)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447489 942892456 /nfs/dbraw/zinc/89/24/56/942892456.db2.gz VLZRJYMKFNKIPF-CQSZACIVSA-N -1 3 265.309 1.295 20 10 CDCDHM C[C@@]1(CO)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447489 942892463 /nfs/dbraw/zinc/89/24/63/942892463.db2.gz VLZRJYMKFNKIPF-CQSZACIVSA-N -1 3 265.309 1.295 20 10 CDCDHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2O)C[C@@H]1F ZINC001231446640 942892527 /nfs/dbraw/zinc/89/25/27/942892527.db2.gz KOLHBRYFBKFWTE-KCJUWKMLSA-N -1 3 253.273 1.880 20 10 CDCDHM O=C([O-])c1ccc(CN2CC3(CSC3)C2)c(O)c1 ZINC001231454304 942899033 /nfs/dbraw/zinc/89/90/33/942899033.db2.gz UVKUADYCAJPEKV-UHFFFAOYSA-N -1 3 265.334 1.639 20 10 CDCDHM O=C([O-])c1ccc(C[NH+]2CC3(CSC3)C2)c([O-])c1 ZINC001231454304 942899037 /nfs/dbraw/zinc/89/90/37/942899037.db2.gz UVKUADYCAJPEKV-UHFFFAOYSA-N -1 3 265.334 1.639 20 10 CDCDHM C[C@]1(O)CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560265 942926093 /nfs/dbraw/zinc/92/60/93/942926093.db2.gz DQPBEADPQIZUDQ-HNNXBMFYSA-N -1 3 279.336 1.827 20 10 CDCDHM C[C@]1(O)CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560265 942926095 /nfs/dbraw/zinc/92/60/95/942926095.db2.gz DQPBEADPQIZUDQ-HNNXBMFYSA-N -1 3 279.336 1.827 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC001231565856 942929592 /nfs/dbraw/zinc/92/95/92/942929592.db2.gz LPBYOMIUMZNMOF-AAEUAGOBSA-N -1 3 277.320 1.559 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC001231565856 942929597 /nfs/dbraw/zinc/92/95/97/942929597.db2.gz LPBYOMIUMZNMOF-AAEUAGOBSA-N -1 3 277.320 1.559 20 10 CDCDHM [O-]c1c(CN2CC(C3COC3)C2)ccc(F)c1F ZINC001233074305 943485704 /nfs/dbraw/zinc/48/57/04/943485704.db2.gz MIMSSCMEYJOHPR-UHFFFAOYSA-N -1 3 255.264 1.749 20 10 CDCDHM CC(=O)N(C)[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336019 943548114 /nfs/dbraw/zinc/54/81/14/943548114.db2.gz VLHJXQGBOUWKIO-JTQLQIEISA-N -1 3 284.306 1.723 20 10 CDCDHM Cc1cc(CN2CCNC(=O)C2)c([O-])cc1Br ZINC001250117771 949994021 /nfs/dbraw/zinc/99/40/21/949994021.db2.gz QSTZSLFBOJEZRU-UHFFFAOYSA-N -1 3 299.168 1.395 20 10 CDCDHM C[C@H](C(=O)[O-])[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC001609718452 970498054 /nfs/dbraw/zinc/49/80/54/970498054.db2.gz RWLTZGDQNUOCBJ-MRVPVSSYSA-N -1 3 253.273 1.969 20 10 CDCDHM C[C@H](C(=O)[O-])[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC001609718452 970498059 /nfs/dbraw/zinc/49/80/59/970498059.db2.gz RWLTZGDQNUOCBJ-MRVPVSSYSA-N -1 3 253.273 1.969 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353369 994978212 /nfs/dbraw/zinc/97/82/12/994978212.db2.gz UQCJUUZMNBXXSY-JFGNBEQYSA-N -1 3 277.320 1.678 20 10 CDCDHM C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594260684 999005141 /nfs/dbraw/zinc/00/51/41/999005141.db2.gz FHCNICLUHMYTDY-WCABBAIRSA-N -1 3 265.309 1.918 20 10 CDCDHM CC1CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000080117283 342350255 /nfs/dbraw/zinc/35/02/55/342350255.db2.gz QGYREBSEYRHOLK-UHFFFAOYSA-N -1 3 298.364 1.292 20 10 CDCDHM COc1cc(Cl)cc(CN2CCOC[C@@H](O)C2)c1[O-] ZINC000294836004 199205727 /nfs/dbraw/zinc/20/57/27/199205727.db2.gz QMSYRQLFWFWKAT-NSHDSACASA-N -1 3 287.743 1.247 20 10 CDCDHM C[C@@H](C(=O)Nc1ncccn1)N(C)Cc1ccccc1[O-] ZINC000111235119 359197437 /nfs/dbraw/zinc/19/74/37/359197437.db2.gz SBPRLYMDRINCNZ-NSHDSACASA-N -1 3 286.335 1.641 20 10 CDCDHM CCS(=O)(=O)C[C@H](C)NCc1c([O-])cccc1Cl ZINC000113350388 359396185 /nfs/dbraw/zinc/39/61/85/359396185.db2.gz KVCZAXLLNXSBNO-VIFPVBQESA-N -1 3 291.800 1.958 20 10 CDCDHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1ccccc1[O-] ZINC000114721376 359494811 /nfs/dbraw/zinc/49/48/11/359494811.db2.gz KDJDSLSKNUFGKK-JSGCOSHPSA-N -1 3 292.379 1.508 20 10 CDCDHM COCC1(CNC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000293764051 370786664 /nfs/dbraw/zinc/78/66/64/370786664.db2.gz XSKYLUUQXLOXIQ-UHFFFAOYSA-N -1 3 295.335 1.271 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@@H](OCCO)C2)c([O-])c1O ZINC000272806057 365405289 /nfs/dbraw/zinc/40/52/89/365405289.db2.gz ZKKIXYHTNUBLAT-LLVKDONJSA-N -1 3 295.335 1.020 20 10 CDCDHM C[C@@H](O)CN1CCN(Cc2cccc(Cl)c2[O-])[C@@H](C)C1 ZINC000281129854 367593794 /nfs/dbraw/zinc/59/37/94/367593794.db2.gz YEKPLKSSWVHKDE-NWDGAFQWSA-N -1 3 298.814 1.933 20 10 CDCDHM CCN1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000286555373 368883076 /nfs/dbraw/zinc/88/30/76/368883076.db2.gz ACTIPNHJMUBEJI-SNVBAGLBSA-N -1 3 264.325 1.264 20 10 CDCDHM CC[C@@H](NCc1cnnn1C)c1ccc(F)cc1[O-] ZINC000287485497 369212740 /nfs/dbraw/zinc/21/27/40/369212740.db2.gz XLGGYXQJZDSLGU-GFCCVEGCSA-N -1 3 264.304 1.901 20 10 CDCDHM CCN1CCN(C(=O)c2ccc(C)c(O)c2[O-])[C@@H](C)C1 ZINC000288510544 369460343 /nfs/dbraw/zinc/46/03/43/369460343.db2.gz QVIXLZXXZQYGEW-NSHDSACASA-N -1 3 278.352 1.572 20 10 CDCDHM O=C(NCc1nnc(C2CC2)[nH]1)c1cccc(O)c1[O-] ZINC000295451049 371284964 /nfs/dbraw/zinc/28/49/64/371284964.db2.gz OOFXXARCCLYBFI-UHFFFAOYSA-N -1 3 274.280 1.023 20 10 CDCDHM CC[C@@H](C)[C@H](CNC(=O)c1cccc(O)c1[O-])OC ZINC000294239946 371356882 /nfs/dbraw/zinc/35/68/82/371356882.db2.gz PCXSXRBGGTUSQF-SKDRFNHKSA-N -1 3 267.325 1.889 20 10 CDCDHM CCc1nnc(CNC(=O)c2ccc(C)c(O)c2[O-])[nH]1 ZINC000295735189 371428359 /nfs/dbraw/zinc/42/83/59/371428359.db2.gz RZSSYYPRVWZCTP-UHFFFAOYSA-N -1 3 276.296 1.017 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC2(CCC2)C1 ZINC000193150884 296253741 /nfs/dbraw/zinc/25/37/41/296253741.db2.gz HXUNTKAVELOTEF-UHFFFAOYSA-N -1 3 263.293 1.493 20 10 CDCDHM CC/C=C/CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000296027042 378707569 /nfs/dbraw/zinc/70/75/69/378707569.db2.gz VMCAJPINAVJCQS-SNAWJCMRSA-N -1 3 298.364 1.460 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N(C)C)c([O-])c1O ZINC000177683862 391174789 /nfs/dbraw/zinc/17/47/89/391174789.db2.gz STEGSNDAHNVZHX-NSHDSACASA-N -1 3 292.335 1.099 20 10 CDCDHM Cc1ccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c([O-])c1O ZINC000293914852 292066250 /nfs/dbraw/zinc/06/62/50/292066250.db2.gz GJIOVRLIBREXDA-PHIMTYICSA-N -1 3 278.352 1.571 20 10 CDCDHM Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182318542 261934200 /nfs/dbraw/zinc/93/42/00/261934200.db2.gz AXTXYDXGRIIPNP-VIFPVBQESA-N -1 3 289.335 1.939 20 10 CDCDHM Cc1nc([C@@H]2COCCN2Cc2ccccc2[O-])no1 ZINC000369473671 267243663 /nfs/dbraw/zinc/24/36/63/267243663.db2.gz XCBDZPHDENLYII-LBPRGKRZSA-N -1 3 275.308 1.657 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c([O-])c1O ZINC000182841380 329245390 /nfs/dbraw/zinc/24/53/90/329245390.db2.gz SMGFYVXQNSNZBI-KBPBESRZSA-N -1 3 299.326 1.794 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@]2(CCOC2)C1 ZINC000187632388 329359978 /nfs/dbraw/zinc/35/99/78/329359978.db2.gz IVFFMCIAAACMOS-AWEZNQCLSA-N -1 3 263.293 1.350 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](O)C2)c1[O-] ZINC000050152786 518284438 /nfs/dbraw/zinc/28/44/38/518284438.db2.gz JFUSGVAMBQKXJY-GFCCVEGCSA-N -1 3 267.300 1.691 20 10 CDCDHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2[O-])[C@@H]1OC ZINC000275230517 520422674 /nfs/dbraw/zinc/42/26/74/520422674.db2.gz FCIZAKONGVMFPA-WDMOLILDSA-N -1 3 295.335 1.328 20 10 CDCDHM CCCCn1nnnc1COC(=O)c1cc([O-])cs1 ZINC000731911937 575070483 /nfs/dbraw/zinc/07/04/83/575070483.db2.gz NZXZJVQLDQXCBF-UHFFFAOYSA-N -1 3 282.325 1.597 20 10 CDCDHM C[C@H](CN1CCCC1=O)NC(=O)c1cc([O-])cs1 ZINC000732274778 575085636 /nfs/dbraw/zinc/08/56/36/575085636.db2.gz ZFGBFUOVJKYDJM-MRVPVSSYSA-N -1 3 268.338 1.194 20 10 CDCDHM O=C(NCCc1nnc2ccccn21)c1cc([O-])cs1 ZINC000732257915 575086044 /nfs/dbraw/zinc/08/60/44/575086044.db2.gz JNPYVGKBKSVBLJ-UHFFFAOYSA-N -1 3 288.332 1.469 20 10 CDCDHM CC(=O)NC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732280019 575086211 /nfs/dbraw/zinc/08/62/11/575086211.db2.gz VRBWLSJTAMAQRG-UHFFFAOYSA-N -1 3 268.338 1.194 20 10 CDCDHM CCC1N=NC(=S)N1CCNC(=O)c1cc([O-])cs1 ZINC000743665218 576650672 /nfs/dbraw/zinc/65/06/72/576650672.db2.gz KECQXFQBUJCIGK-UHFFFAOYSA-N -1 3 298.393 1.326 20 10 CDCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CCCN1 ZINC000769115088 576331623 /nfs/dbraw/zinc/33/16/23/576331623.db2.gz NVUMRXHUIFXQIQ-UHFFFAOYSA-N -1 3 254.717 1.368 20 10 CDCDHM CN1CCO[C@H]2CN(Cc3c([O-])cccc3Cl)C[C@H]21 ZINC000769484857 576358370 /nfs/dbraw/zinc/35/83/70/576358370.db2.gz VXPBDUQCCOZVSW-OCCSQVGLSA-N -1 3 282.771 1.560 20 10 CDCDHM COC(=O)[C@H](CC(F)F)NC(=O)c1cc([O-])cs1 ZINC000762358778 576641087 /nfs/dbraw/zinc/64/10/87/576641087.db2.gz SJHRPZQCYSDBGH-LURJTMIESA-N -1 3 279.264 1.380 20 10 CDCDHM CC(C)OC(=O)[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000743737296 576652992 /nfs/dbraw/zinc/65/29/92/576652992.db2.gz ZLJAGKKZGRINDF-MRVPVSSYSA-N -1 3 271.338 1.771 20 10 CDCDHM CCNC(=O)C1(CNC(=O)c2cc([O-])cs2)CCC1 ZINC000754445857 576896924 /nfs/dbraw/zinc/89/69/24/576896924.db2.gz HHCQGWPDEBVKAT-UHFFFAOYSA-N -1 3 282.365 1.490 20 10 CDCDHM Cc1ccc(C(=O)N[C@]2(C)CCO[C@H]2C)c([O-])c1O ZINC000753069096 577142854 /nfs/dbraw/zinc/14/28/54/577142854.db2.gz XOOZZEAHHQGWDG-LKFCYVNXSA-N -1 3 265.309 1.704 20 10 CDCDHM O=c1cc(NCc2ccc(N3CCOCC3)cc2)nc[n-]1 ZINC000891967705 617902184 /nfs/dbraw/zinc/90/21/84/617902184.db2.gz PHDDBHFWMZSGEO-UHFFFAOYSA-N -1 3 286.335 1.631 20 10 CDCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCCNC1=O ZINC000893983820 618237189 /nfs/dbraw/zinc/23/71/89/618237189.db2.gz GJZXYAJOLHNGJI-GFCCVEGCSA-N -1 3 284.306 1.771 20 10 CDCDHM C[C@@H]1CCCCN1NC(=O)c1cccc(O)c1[O-] ZINC000912146840 629817516 /nfs/dbraw/zinc/81/75/16/629817516.db2.gz ZZBTVHVLPRZPSQ-SECBINFHSA-N -1 3 250.298 1.617 20 10 CDCDHM CCOC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126276978 695324138 /nfs/dbraw/zinc/32/41/38/695324138.db2.gz YFCMAFWNUPDWHS-UHFFFAOYSA-N -1 3 265.309 1.739 20 10 CDCDHM Cn1c(CNC(=O)c2cccc(O)c2[O-])nc2ccccc21 ZINC000188394190 695630821 /nfs/dbraw/zinc/63/08/21/695630821.db2.gz VLNOAHBWZIETJM-UHFFFAOYSA-N -1 3 297.314 1.915 20 10 CDCDHM C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000857309007 695878387 /nfs/dbraw/zinc/87/83/87/695878387.db2.gz NWXYKDGWWLZCHA-VUPYVKPUSA-N -1 3 297.376 1.517 20 10 CDCDHM COc1ccnc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790903720 695995731 /nfs/dbraw/zinc/99/57/31/695995731.db2.gz MYSFOCCNPDNGOL-UHFFFAOYSA-N -1 3 274.276 1.431 20 10 CDCDHM O=C(NCCOc1cccnc1)c1cccc(O)c1[O-] ZINC000790719290 696220637 /nfs/dbraw/zinc/22/06/37/696220637.db2.gz ZMCIDCPVGOPCBK-UHFFFAOYSA-N -1 3 274.276 1.302 20 10 CDCDHM C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326893 1163151344 /nfs/dbraw/zinc/15/13/44/1163151344.db2.gz UMGCTJSCLGGMHL-ZANVPECISA-N -1 3 279.336 1.902 20 10 CDCDHM CN(C)c1ccc(CNc2ncccc2-c2nnn[n-]2)cc1 ZINC001604704231 1163289971 /nfs/dbraw/zinc/28/99/71/1163289971.db2.gz IJXPQAMAANJMKE-UHFFFAOYSA-N -1 3 295.350 1.940 20 10 CDCDHM CN(C)c1ccc(CNc2ncccc2-c2nn[n-]n2)cc1 ZINC001604704231 1163289977 /nfs/dbraw/zinc/28/99/77/1163289977.db2.gz IJXPQAMAANJMKE-UHFFFAOYSA-N -1 3 295.350 1.940 20 10 CDCDHM Cc1nc(N2Cc3cccc(O)c3C2)ccc1-c1nnn[n-]1 ZINC001592374245 1173871109 /nfs/dbraw/zinc/87/11/09/1173871109.db2.gz MMJBNUJAGFQSJH-UHFFFAOYSA-N -1 3 294.318 1.796 20 10 CDCDHM Cc1nc(N2Cc3cccc(O)c3C2)ccc1-c1nn[n-]n1 ZINC001592374245 1173871114 /nfs/dbraw/zinc/87/11/14/1173871114.db2.gz MMJBNUJAGFQSJH-UHFFFAOYSA-N -1 3 294.318 1.796 20 10 CDCDHM CC[C@@H]([NH2+]CCOC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604052960 1175734980 /nfs/dbraw/zinc/73/49/80/1175734980.db2.gz ADXZAULXJDLGGT-LLVKDONJSA-N -1 3 277.328 1.259 20 10 CDCDHM CCOC(=O)CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079403797 725381627 /nfs/dbraw/zinc/38/16/27/725381627.db2.gz PDEIEZCEBXRFEL-UHFFFAOYSA-N -1 3 283.299 1.729 20 10 CDCDHM Cc1c(NC(=O)c2ccc(C)c(O)c2[O-])nnn1C ZINC000840572461 725385956 /nfs/dbraw/zinc/38/59/56/725385956.db2.gz RFEAXTPXRQMFRT-UHFFFAOYSA-N -1 3 262.269 1.095 20 10 CDCDHM CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775633799 723790206 /nfs/dbraw/zinc/79/02/06/723790206.db2.gz KPRQJDYYGNRCGG-UHFFFAOYSA-N -1 3 258.724 1.932 20 10 CDCDHM COc1cc(CNC(=O)c2cccc(O)c2[O-])ccn1 ZINC000126398167 723886249 /nfs/dbraw/zinc/88/62/49/723886249.db2.gz WFKDBGXNXIBSIF-UHFFFAOYSA-N -1 3 274.276 1.431 20 10 CDCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])nn1C ZINC000780993337 725402773 /nfs/dbraw/zinc/40/27/73/725402773.db2.gz LWPMNEOQNUMWMU-UHFFFAOYSA-N -1 3 261.281 1.700 20 10 CDCDHM [O-]c1c(Br)cccc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000783735852 725985234 /nfs/dbraw/zinc/98/52/34/725985234.db2.gz TZRQZFUATBMHES-MFKMUULPSA-N -1 3 298.180 1.969 20 10 CDCDHM O=C(/C=C/c1ccc(O)c(O)c1)NCc1ncccc1[O-] ZINC000792618932 724786045 /nfs/dbraw/zinc/78/60/45/724786045.db2.gz FAGPUYWYQOBPPF-GQCTYLIASA-N -1 3 286.287 1.528 20 10 CDCDHM C[C@H](N[C@@H](CO)c1ccnn1C)c1c([O-])cccc1F ZINC000886639424 725052776 /nfs/dbraw/zinc/05/27/76/725052776.db2.gz CZCCARMDQKSTKG-ONGXEEELSA-N -1 3 279.315 1.649 20 10 CDCDHM Cc1ccc(C(=O)Nc2cc(C)c(=O)n(C)c2)c([O-])c1O ZINC000780983656 725065103 /nfs/dbraw/zinc/06/51/03/725065103.db2.gz FYRJAFOPPXLOHT-UHFFFAOYSA-N -1 3 288.303 1.666 20 10 CDCDHM CCn1cc(CN(C)C(=O)c2cccc(O)c2[O-])cn1 ZINC000703623212 725092381 /nfs/dbraw/zinc/09/23/81/725092381.db2.gz ZMTHSUREDLEYIR-UHFFFAOYSA-N -1 3 275.308 1.586 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](O)Cc2ccccc21 ZINC000790157250 725281283 /nfs/dbraw/zinc/28/12/83/725281283.db2.gz RMUPRRMFRMLYMQ-NSHDSACASA-N -1 3 285.299 1.662 20 10 CDCDHM CO[C@@H]([C@H](C)NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000388281563 725347594 /nfs/dbraw/zinc/34/75/94/725347594.db2.gz MRXMXSLXWAIGGD-SDBXPKJASA-N -1 3 265.309 1.641 20 10 CDCDHM COC(=O)c1ccnc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790718241 725414259 /nfs/dbraw/zinc/41/42/59/725414259.db2.gz QDGFFWNQNIFKML-UHFFFAOYSA-N -1 3 288.259 1.532 20 10 CDCDHM CC(C)(C)N1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000843939921 725487863 /nfs/dbraw/zinc/48/78/63/725487863.db2.gz PPUKGWULYJTPQQ-JTQLQIEISA-N -1 3 292.335 1.227 20 10 CDCDHM O=S(=O)(CCCF)Nc1ccc([O-])c(F)c1 ZINC001189911127 921713910 /nfs/dbraw/zinc/71/39/10/921713910.db2.gz IWAWWADNZFSFCG-UHFFFAOYSA-N -1 3 251.254 1.633 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])c(F)ccc2F)CC[C@@H]1O ZINC001139685851 936635551 /nfs/dbraw/zinc/63/55/51/936635551.db2.gz ZBCLVQZLDJDLTE-PELKAZGASA-N -1 3 257.280 1.873 20 10 CDCDHM O=S(=O)([N-]Cc1cccc(O)c1O)c1ccco1 ZINC001186875991 920196675 /nfs/dbraw/zinc/19/66/75/920196675.db2.gz PYBDDZZBUDNETB-UHFFFAOYSA-N -1 3 269.278 1.169 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCN1C ZINC001140465641 936712423 /nfs/dbraw/zinc/71/24/23/936712423.db2.gz PBQWPTSJFDQGSU-LBPRGKRZSA-N -1 3 298.770 1.335 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CCc2nccn2CC1 ZINC001140584006 936727851 /nfs/dbraw/zinc/72/78/51/936727851.db2.gz BRKPMDJKKQYCPR-UHFFFAOYSA-N -1 3 279.290 1.925 20 10 CDCDHM C[C@]1(CO)CN(Cc2c([O-])c(F)ccc2F)CC[C@H]1O ZINC001139684714 937421693 /nfs/dbraw/zinc/42/16/93/937421693.db2.gz KKVLCJGFIJXZMF-TZMCWYRMSA-N -1 3 287.306 1.236 20 10 CDCDHM O=C(NCc1ccc(Cl)nn1)c1cccc(O)c1[O-] ZINC001148220067 932672168 /nfs/dbraw/zinc/67/21/68/932672168.db2.gz OCWLZQRTFGDSEI-UHFFFAOYSA-N -1 3 279.683 1.471 20 10 CDCDHM COC1CCC(NC(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148590006 932753985 /nfs/dbraw/zinc/75/39/85/932753985.db2.gz VCKLDEMDXCFBKM-UHFFFAOYSA-N -1 3 281.308 1.491 20 10 CDCDHM O=C1N[C@H]2CN(Cc3cc(F)cc(F)c3[O-])CC[C@@H]2CO1 ZINC001119450390 937720930 /nfs/dbraw/zinc/72/09/30/937720930.db2.gz QZPILTNJPRADPF-PELKAZGASA-N -1 3 298.289 1.601 20 10 CDCDHM C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1O ZINC001231447543 942895020 /nfs/dbraw/zinc/89/50/20/942895020.db2.gz WCSAFIDUJGOLJP-RNCFNFMXSA-N -1 3 265.309 1.293 20 10 CDCDHM C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1O ZINC001231447543 942895023 /nfs/dbraw/zinc/89/50/23/942895023.db2.gz WCSAFIDUJGOLJP-RNCFNFMXSA-N -1 3 265.309 1.293 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](F)[C@H](O)C1 ZINC001231909347 943039329 /nfs/dbraw/zinc/03/93/29/943039329.db2.gz JZPZCKMVWZOGCV-WDEREUQCSA-N -1 3 259.708 1.950 20 10 CDCDHM COc1cc([O-])c(CN2CCn3nncc3C2)cc1Cl ZINC001232267358 943197101 /nfs/dbraw/zinc/19/71/01/943197101.db2.gz ALZIXPSJERPRRF-UHFFFAOYSA-N -1 3 294.742 1.662 20 10 CDCDHM COC(=O)[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332457 943545166 /nfs/dbraw/zinc/54/51/66/943545166.db2.gz LUKIBFUWWCLQID-QMMMGPOBSA-N -1 3 271.263 1.665 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCC2(COC2)C1 ZINC001233332258 943546811 /nfs/dbraw/zinc/54/68/11/943546811.db2.gz FHKXKNQRXQJCHZ-UHFFFAOYSA-N -1 3 255.264 1.893 20 10 CDCDHM CC(=O)NC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332025 943546998 /nfs/dbraw/zinc/54/69/98/943546998.db2.gz VDZCPOVDUBJWCO-UHFFFAOYSA-N -1 3 284.306 1.771 20 10 CDCDHM CCN1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331958 943547138 /nfs/dbraw/zinc/54/71/38/943547138.db2.gz RUHOKJXTXKPRHS-UHFFFAOYSA-N -1 3 256.296 1.808 20 10 CDCDHM COc1ccc(CN2CCC(=O)N(C)CC2)c([O-])c1Cl ZINC001236811111 944576600 /nfs/dbraw/zinc/57/66/00/944576600.db2.gz HBMARHPNHVPDPZ-UHFFFAOYSA-N -1 3 298.770 1.718 20 10 CDCDHM CN(C)c1ccc(CNCc2c(C(=O)[O-])cnn2C)cc1 ZINC001593708883 954168589 /nfs/dbraw/zinc/16/85/89/954168589.db2.gz JWVJPRSLAYMBNR-UHFFFAOYSA-N -1 3 288.351 1.474 20 10 CDCDHM CC[C@H](C[NH2+]Cc1c([O-])cccc1OC)C(=O)[O-] ZINC001589552155 955224812 /nfs/dbraw/zinc/22/48/12/955224812.db2.gz KVCDQBKECJHSON-SECBINFHSA-N -1 3 253.298 1.601 20 10 CDCDHM CO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC001332475637 957579339 /nfs/dbraw/zinc/57/93/39/957579339.db2.gz FEGIGODTQHUOCA-LBPRGKRZSA-N -1 3 288.294 1.220 20 10 CDCDHM C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593261114 994548163 /nfs/dbraw/zinc/54/81/63/994548163.db2.gz KOMNAEVPVYDKQV-WRWORJQWSA-N -1 3 289.278 1.757 20 10 CDCDHM C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286495 994646204 /nfs/dbraw/zinc/64/62/04/994646204.db2.gz UMSCEIOHSXBQHJ-ATZCPNFKSA-N -1 3 265.309 1.512 20 10 CDCDHM C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593357272 995006535 /nfs/dbraw/zinc/00/65/35/995006535.db2.gz PJGLGWSBAYJMGP-WLTAIBSBSA-N -1 3 265.309 1.654 20 10 CDCDHM Cc1ccc(C[NH2+][C@@](C)(Cn2cccn2)C(=O)[O-])c([O-])c1 ZINC001600419036 1126219032 /nfs/dbraw/zinc/21/90/32/1126219032.db2.gz IQSBQLMBTUEZOI-HNNXBMFYSA-N -1 3 289.335 1.530 20 10 CDCDHM CCCC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000273922902 365527311 /nfs/dbraw/zinc/52/73/11/365527311.db2.gz DPDSJIYZLBCJDF-NSHDSACASA-N -1 3 295.335 1.868 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)C(C)(C)C2)c1[O-] ZINC000279067832 362287216 /nfs/dbraw/zinc/28/72/16/362287216.db2.gz ADUZGXDAFOHPLW-ZDUSSCGKSA-N -1 3 281.327 1.937 20 10 CDCDHM CCCOc1ccc([C@@H]2NC(=O)CN2C)c([O-])c1 ZINC000298766115 356912724 /nfs/dbraw/zinc/91/27/24/356912724.db2.gz BLGPABDDCJZDOA-CYBMUJFWSA-N -1 3 250.298 1.241 20 10 CDCDHM CCOc1ccc([O-])c([C@H]2NC(=O)[C@@H]3CSCCN32)c1 ZINC000270815691 364773597 /nfs/dbraw/zinc/77/35/97/364773597.db2.gz QVAKDRYTNWTNNO-AAEUAGOBSA-N -1 3 294.376 1.337 20 10 CDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(C)=O ZINC000272292788 365174279 /nfs/dbraw/zinc/17/42/79/365174279.db2.gz VOXYGLYWBFYLFQ-UHFFFAOYSA-N -1 3 271.700 1.567 20 10 CDCDHM O=C(NC1CC1)N[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000273718696 365520508 /nfs/dbraw/zinc/52/05/08/365520508.db2.gz HSCXLFQZHFXASA-ZDUSSCGKSA-N -1 3 293.342 1.567 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@@H]2CO)c1[O-] ZINC000227055800 367382433 /nfs/dbraw/zinc/38/24/33/367382433.db2.gz ZUWQIEYDXDXMCR-OTYXRUKQSA-N -1 3 281.327 1.937 20 10 CDCDHM Cc1ccc(C(=O)NCCc2nccnc2C)c([O-])c1O ZINC000294148217 370963859 /nfs/dbraw/zinc/96/38/59/370963859.db2.gz OVLNKUIEYLOMGH-UHFFFAOYSA-N -1 3 287.319 1.477 20 10 CDCDHM CCCOc1ccc(CN(C)[C@H]2CCN(C)C2=O)c([O-])c1 ZINC000271191653 391291115 /nfs/dbraw/zinc/29/11/15/391291115.db2.gz LVHLXDONSDBGKO-AWEZNQCLSA-N -1 3 292.379 1.844 20 10 CDCDHM Cc1ccc(C(=O)NC2(C)CCOCC2)c([O-])c1O ZINC000182893122 397969655 /nfs/dbraw/zinc/96/96/55/397969655.db2.gz SSSYDRJXNRUOBN-UHFFFAOYSA-N -1 3 265.309 1.705 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](C)C2)c1[O-] ZINC000037322650 260159779 /nfs/dbraw/zinc/15/97/79/260159779.db2.gz VDFXDCOIBAIQGB-SECBINFHSA-N -1 3 267.300 1.955 20 10 CDCDHM CC(C)(CO)CCCNC(=O)c1cccc(O)c1[O-] ZINC000185858774 262309801 /nfs/dbraw/zinc/30/98/01/262309801.db2.gz XJEQFQFEMKITKR-UHFFFAOYSA-N -1 3 267.325 1.626 20 10 CDCDHM Cc1nc2n(n1)CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000370711293 267340961 /nfs/dbraw/zinc/34/09/61/267340961.db2.gz PIKIBAPMIJCQRA-UHFFFAOYSA-N -1 3 278.743 1.961 20 10 CDCDHM COC(=O)C[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000377836024 329031260 /nfs/dbraw/zinc/03/12/60/329031260.db2.gz YHHAKFZOBZIHSH-LBPRGKRZSA-N -1 3 299.754 1.810 20 10 CDCDHM CN(C(=O)/C=C\c1cncc([O-])c1)c1cnn(C)c1 ZINC000492401125 332395789 /nfs/dbraw/zinc/39/57/89/332395789.db2.gz SYBCZJSIMSFEML-ARJAWSKDSA-N -1 3 258.281 1.197 20 10 CDCDHM Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC001600163194 1174384872 /nfs/dbraw/zinc/38/48/72/1174384872.db2.gz CNNMWFKMAUKAMB-AAEUAGOBSA-N -1 3 279.336 1.683 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC2(CCCC2)C1 ZINC000279830620 526772541 /nfs/dbraw/zinc/77/25/41/526772541.db2.gz NEBLVWDWSAXZAI-UHFFFAOYSA-N -1 3 277.320 1.883 20 10 CDCDHM CCN(C[C@H]1CCOC1)C(=O)c1cc([O-])cs1 ZINC000731871125 575067234 /nfs/dbraw/zinc/06/72/34/575067234.db2.gz DMYSBCRZJNOBDT-SECBINFHSA-N -1 3 255.339 1.952 20 10 CDCDHM Cc1noc(C)c1CNC(=O)c1cc([O-])cs1 ZINC000731872162 575067764 /nfs/dbraw/zinc/06/77/64/575067764.db2.gz ZHKYXDOUXWYDLD-UHFFFAOYSA-N -1 3 252.295 1.989 20 10 CDCDHM O=C(OCCN1CCCC1=O)c1cc([O-])cs1 ZINC000732353743 575088113 /nfs/dbraw/zinc/08/81/13/575088113.db2.gz UFRFZUDQBROHQS-UHFFFAOYSA-N -1 3 255.295 1.233 20 10 CDCDHM CCn1cc(CN(C)C(=O)c2cc([O-])cs2)cn1 ZINC000733809727 575139181 /nfs/dbraw/zinc/13/91/81/575139181.db2.gz FSLFDFDGZXUMAD-UHFFFAOYSA-N -1 3 265.338 1.942 20 10 CDCDHM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc([O-])cs1 ZINC000765310743 576008109 /nfs/dbraw/zinc/00/81/09/576008109.db2.gz MIHCROSPRLLZFB-BDAKNGLRSA-N -1 3 257.355 1.981 20 10 CDCDHM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000768845958 576313110 /nfs/dbraw/zinc/31/31/10/576313110.db2.gz LEUBKIZYJSGQEV-DTWKUNHWSA-N -1 3 254.355 1.618 20 10 CDCDHM CCCN(CC(=O)N(C)C)Cc1c([O-])cccc1OC ZINC000768997118 576321341 /nfs/dbraw/zinc/32/13/41/576321341.db2.gz CAMVBNKGFBGBFG-UHFFFAOYSA-N -1 3 280.368 1.701 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](CO)CC(F)F)c([O-])c1O ZINC000760677148 576501156 /nfs/dbraw/zinc/50/11/56/576501156.db2.gz KJZVQQQLOVGZET-SSDOTTSWSA-N -1 3 275.251 1.152 20 10 CDCDHM CC1(C)[C@H](NC(=O)c2cc([O-])cs2)[C@H]2CCO[C@H]21 ZINC000741292634 576550119 /nfs/dbraw/zinc/55/01/19/576550119.db2.gz FHNAYOJQISQCCO-FBIMIBRVSA-N -1 3 267.350 1.997 20 10 CDCDHM COCCOC[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743750092 576652874 /nfs/dbraw/zinc/65/28/74/576652874.db2.gz GHTLQKUBQXVPDP-JTQLQIEISA-N -1 3 285.365 1.579 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000754455672 576897255 /nfs/dbraw/zinc/89/72/55/576897255.db2.gz XNZDBVVQJHNTOO-NSHDSACASA-N -1 3 296.392 1.248 20 10 CDCDHM C[C@H](Nc1cnn(CCO)c1)c1ccc(F)cc1[O-] ZINC000756856418 577010414 /nfs/dbraw/zinc/01/04/14/577010414.db2.gz PIUNRBGUNPTGNY-VIFPVBQESA-N -1 3 265.288 1.893 20 10 CDCDHM CCN1CCN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000758016034 577067688 /nfs/dbraw/zinc/06/76/88/577067688.db2.gz UISUDFWKQNWUOQ-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM CCOc1ccc(C[N@H+](C)CCC(=O)[O-])c([O-])c1 ZINC000820387651 598127145 /nfs/dbraw/zinc/12/71/45/598127145.db2.gz VWWNCJCBKWKRET-UHFFFAOYSA-N -1 3 253.298 1.697 20 10 CDCDHM CCOc1ccc(C[N@@H+](C)CCC(=O)[O-])c([O-])c1 ZINC000820387651 598127146 /nfs/dbraw/zinc/12/71/46/598127146.db2.gz VWWNCJCBKWKRET-UHFFFAOYSA-N -1 3 253.298 1.697 20 10 CDCDHM NC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893871414 618113241 /nfs/dbraw/zinc/11/32/41/618113241.db2.gz JQDYFBQKMXYMKO-UHFFFAOYSA-N -1 3 270.279 1.368 20 10 CDCDHM CN(C)C(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893901578 618153414 /nfs/dbraw/zinc/15/34/14/618153414.db2.gz BJIGYQHLWXESGK-UHFFFAOYSA-N -1 3 298.333 1.971 20 10 CDCDHM CO[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000895967922 619925894 /nfs/dbraw/zinc/92/58/94/619925894.db2.gz FQUFWZPDGRTWIC-GFCCVEGCSA-N -1 3 257.717 1.850 20 10 CDCDHM Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000019966525 1172588615 /nfs/dbraw/zinc/58/86/15/1172588615.db2.gz VPXKQFZXHNTFBT-UHFFFAOYSA-N -1 3 292.316 1.798 20 10 CDCDHM CCCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)C(=O)OC ZINC000888612795 726173393 /nfs/dbraw/zinc/17/33/93/726173393.db2.gz GDTWHYCCVVAJBZ-VIFPVBQESA-N -1 3 281.308 1.512 20 10 CDCDHM C[C@H]1CCCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846246759 726037406 /nfs/dbraw/zinc/03/74/06/726037406.db2.gz RPKHWVHIEMLEAA-QMMMGPOBSA-N -1 3 276.296 1.117 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000871200140 726081985 /nfs/dbraw/zinc/08/19/85/726081985.db2.gz NICVLAZLZLKFLX-UHTWSYAYSA-N -1 3 291.347 1.863 20 10 CDCDHM CC(=O)NC1CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825934924 726113127 /nfs/dbraw/zinc/11/31/27/726113127.db2.gz MNWTZNLLNJRRRQ-UHFFFAOYSA-N -1 3 268.744 1.674 20 10 CDCDHM O=C(NCCCn1ccnc1)c1cccc(O)c1[O-] ZINC000126242977 726371126 /nfs/dbraw/zinc/37/11/26/726371126.db2.gz COFAGDWSQHXZSJ-UHFFFAOYSA-N -1 3 261.281 1.114 20 10 CDCDHM O=C(NCCc1ccc(O)c(O)c1)c1cncc([O-])c1 ZINC000122273805 726863903 /nfs/dbraw/zinc/86/39/03/726863903.db2.gz PLPREMKUOKNNKT-UHFFFAOYSA-N -1 3 274.276 1.171 20 10 CDCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)C(C)C ZINC000839866434 727255783 /nfs/dbraw/zinc/25/57/83/727255783.db2.gz FLLIMFDAGHGIMQ-ZYHUDNBSSA-N -1 3 267.325 1.623 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCO1 ZINC000126255657 727407491 /nfs/dbraw/zinc/40/74/91/727407491.db2.gz GSGMYINGXSADQF-KWQFWETISA-N -1 3 251.282 1.395 20 10 CDCDHM CN1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](CO)C1 ZINC000877644929 727476902 /nfs/dbraw/zinc/47/69/02/727476902.db2.gz VVUYRSJYCQSKKI-NSHDSACASA-N -1 3 288.750 1.293 20 10 CDCDHM Cc1ccc(C(=O)Nc2cn(C)c(=O)cc2C)c([O-])c1O ZINC000179533043 727979693 /nfs/dbraw/zinc/97/96/93/727979693.db2.gz GHFZOQYAVFOHRB-UHFFFAOYSA-N -1 3 288.303 1.666 20 10 CDCDHM CN(CCc1ccncc1)C(=O)c1cccc(O)c1[O-] ZINC000126273486 1165952168 /nfs/dbraw/zinc/95/21/68/1165952168.db2.gz HEHFASSSNHWSGN-UHFFFAOYSA-N -1 3 272.304 1.808 20 10 CDCDHM CNC(=O)c1cc(Nc2cccc(Cl)c2[O-])ccn1 ZINC001175410991 913583919 /nfs/dbraw/zinc/58/39/19/913583919.db2.gz BAJZAMHXGGYWSC-UHFFFAOYSA-N -1 3 277.711 1.966 20 10 CDCDHM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCN(C)C1 ZINC001234474775 913679655 /nfs/dbraw/zinc/67/96/55/913679655.db2.gz WXNQEDHKSNRDKA-JTQLQIEISA-N -1 3 265.309 1.773 20 10 CDCDHM CCc1cnc(CNC(=O)c2cccc(O)c2[O-])o1 ZINC000234211625 895471977 /nfs/dbraw/zinc/47/19/77/895471977.db2.gz KTWLDZHOXGXDAV-UHFFFAOYSA-N -1 3 262.265 1.578 20 10 CDCDHM COc1cc([O-])c(CN2CCCN(C)C(=O)C2)cc1Cl ZINC001232269620 912076025 /nfs/dbraw/zinc/07/60/25/912076025.db2.gz HKTMPBQDCIKLFS-UHFFFAOYSA-N -1 3 298.770 1.718 20 10 CDCDHM CCOC(=O)C1CN(Cc2c([O-])cccc2F)C1 ZINC001137837838 936419710 /nfs/dbraw/zinc/41/97/10/936419710.db2.gz WOKAIGZOTPOHGJ-UHFFFAOYSA-N -1 3 253.273 1.526 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCC(O)(CO)CC1 ZINC000827146888 936494246 /nfs/dbraw/zinc/49/42/46/936494246.db2.gz KMZSLEAJXXLWSF-UHFFFAOYSA-N -1 3 271.744 1.365 20 10 CDCDHM CCOC(=O)[C@H]1CN(Cc2cc(F)ccc2[O-])CCC1=O ZINC001140057713 936675061 /nfs/dbraw/zinc/67/50/61/936675061.db2.gz KZVUWLDKYPQFOT-LBPRGKRZSA-N -1 3 295.310 1.485 20 10 CDCDHM O=S(=O)(Cc1cccnc1)[N-]c1ccc(O)cc1O ZINC001197416047 925134343 /nfs/dbraw/zinc/13/43/43/925134343.db2.gz KHHMXMKBLOXUNW-UHFFFAOYSA-N -1 3 280.305 1.435 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC(N2CCCC2)C1 ZINC001142524777 937027196 /nfs/dbraw/zinc/02/71/96/937027196.db2.gz KBGCKKXJPSCYGI-UHFFFAOYSA-N -1 3 268.307 1.950 20 10 CDCDHM CNC(=O)NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142530709 937028668 /nfs/dbraw/zinc/02/86/68/937028668.db2.gz KRUADHDLAFGRRB-UHFFFAOYSA-N -1 3 299.321 1.564 20 10 CDCDHM CN1C[C@H](NC(=O)c2cccc(O)c2[O-])Cc2ccccc21 ZINC001150080473 937216587 /nfs/dbraw/zinc/21/65/87/937216587.db2.gz QVALQBPQTKWUQJ-GFCCVEGCSA-N -1 3 298.342 1.889 20 10 CDCDHM C[C@@H]1CCN(Cc2c([O-])c(F)ccc2F)C[C@H]1O ZINC001139684401 937417261 /nfs/dbraw/zinc/41/72/61/937417261.db2.gz IVKVXYFXOCSYOU-PRHODGIISA-N -1 3 257.280 1.873 20 10 CDCDHM COc1ncnc(NC(=O)c2cccc(O)c2[O-])c1OC ZINC001148211927 932666865 /nfs/dbraw/zinc/66/68/65/932666865.db2.gz CURKQNSCHRQZMN-UHFFFAOYSA-N -1 3 291.263 1.157 20 10 CDCDHM O=C(NCc1ccncc1F)c1cccc(O)c1[O-] ZINC001148219950 932671821 /nfs/dbraw/zinc/67/18/21/932671821.db2.gz HTBQSKCZDHVNBI-UHFFFAOYSA-N -1 3 262.240 1.562 20 10 CDCDHM CC(=O)NCCCCCNC(=O)c1cccc(O)c1[O-] ZINC001148224921 932672326 /nfs/dbraw/zinc/67/23/26/932672326.db2.gz ZRGOZCVMIWKQRR-UHFFFAOYSA-N -1 3 280.324 1.134 20 10 CDCDHM O=C(Nc1cc2ccccn2n1)c1cc(O)c([O-])c(O)c1 ZINC001148582485 932750619 /nfs/dbraw/zinc/75/06/19/932750619.db2.gz IMIOCIYKFCYJNR-UHFFFAOYSA-N -1 3 285.259 1.703 20 10 CDCDHM O=C(Nc1cc(=O)[nH]c(Cl)c1)c1cc(O)c([O-])c(O)c1 ZINC001148583035 932751329 /nfs/dbraw/zinc/75/13/29/932751329.db2.gz PYGCTRSJVRMZQE-UHFFFAOYSA-N -1 3 296.666 1.810 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@H]2CCO[C@H]2C1 ZINC001148582264 932751660 /nfs/dbraw/zinc/75/16/60/932751660.db2.gz HRLFSCKQCHRLDE-PELKAZGASA-N -1 3 279.292 1.054 20 10 CDCDHM CC(C)[C@H]1COCCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584350 932752402 /nfs/dbraw/zinc/75/24/02/932752402.db2.gz SRMSIINQWQABQO-SNVBAGLBSA-N -1 3 281.308 1.300 20 10 CDCDHM CCC[C@@H](CCO)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590383 932754982 /nfs/dbraw/zinc/75/49/82/932754982.db2.gz JDFLPAINDIZLAK-VIFPVBQESA-N -1 3 269.297 1.084 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2ncccn2)C1 ZINC001156812396 938420104 /nfs/dbraw/zinc/42/01/04/938420104.db2.gz JVSKJAQCQXKCBB-JTQLQIEISA-N -1 3 285.303 1.518 20 10 CDCDHM CN(C)c1ccnc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001159276478 938716930 /nfs/dbraw/zinc/71/69/30/938716930.db2.gz JGZBTYQPLWYKDR-UHFFFAOYSA-N -1 3 287.319 1.854 20 10 CDCDHM CC(=O)NC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446452 942892474 /nfs/dbraw/zinc/89/24/74/942892474.db2.gz JCPHMGRLEZUSSZ-UHFFFAOYSA-N -1 3 292.335 1.191 20 10 CDCDHM [O-]c1cc(O)c(CN2CC(N3CC(F)C3)C2)cc1Cl ZINC001232259037 943192722 /nfs/dbraw/zinc/19/27/22/943192722.db2.gz HGOMPIXDLYDNHH-UHFFFAOYSA-N -1 3 286.734 1.589 20 10 CDCDHM O=C(CN[C@@H]1CCCOC1)c1ccc([O-])c(O)c1 ZINC001254365135 947387397 /nfs/dbraw/zinc/38/73/97/947387397.db2.gz AYRDGCUKERGHOF-SNVBAGLBSA-N -1 3 251.282 1.049 20 10 CDCDHM Cc1cc(NCc2c([O-])cccc2F)n2ncnc2n1 ZINC001307214742 954890478 /nfs/dbraw/zinc/89/04/78/954890478.db2.gz RMJCBGFVIPPHFS-UHFFFAOYSA-N -1 3 273.271 1.890 20 10 CDCDHM CO[C@H](C)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599325398 997653870 /nfs/dbraw/zinc/65/38/70/997653870.db2.gz YBCVRIBCIZRDIP-RKDXNWHRSA-N -1 3 253.298 1.776 20 10 CDCDHM CO[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001599125047 997826287 /nfs/dbraw/zinc/82/62/87/997826287.db2.gz YNBZPZATKURYBQ-CHWSQXEVSA-N -1 3 279.336 1.765 20 10 CDCDHM CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001599125047 997826297 /nfs/dbraw/zinc/82/62/97/997826297.db2.gz YNBZPZATKURYBQ-CHWSQXEVSA-N -1 3 279.336 1.765 20 10 CDCDHM COC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(F)ccc1[O-] ZINC001599149568 998270888 /nfs/dbraw/zinc/27/08/88/998270888.db2.gz KTCNGWCQBRDPJB-ZDUSSCGKSA-N -1 3 271.288 1.501 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c([O-])c1O ZINC000274524857 365699862 /nfs/dbraw/zinc/69/98/62/365699862.db2.gz PNSROTKYRUJLRB-AYLIAGHASA-N -1 3 285.365 1.245 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])ccc3ccccc32)CC(=O)N1 ZINC000295019074 199303463 /nfs/dbraw/zinc/30/34/63/199303463.db2.gz NBHIRSKMYWSFEO-NSHDSACASA-N -1 3 270.332 1.866 20 10 CDCDHM CC[C@@H](CO)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000293908459 358479357 /nfs/dbraw/zinc/47/93/57/358479357.db2.gz HVKWSFIKHAOWFF-LBPRGKRZSA-N -1 3 269.316 1.937 20 10 CDCDHM COC[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000188374834 357887587 /nfs/dbraw/zinc/88/75/87/357887587.db2.gz OQBJJTNQMPGVSP-GXFFZTMASA-N -1 3 269.316 1.767 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C[C@@H](C)O)[C@@H](C)CO)c1[O-] ZINC000190928897 358100952 /nfs/dbraw/zinc/10/09/52/358100952.db2.gz IFIICSBFLGREMH-VHSXEESVSA-N -1 3 299.342 1.298 20 10 CDCDHM CCS(=O)(=O)C[C@@H](C)NCc1c([O-])cccc1Cl ZINC000113350387 359396269 /nfs/dbraw/zinc/39/62/69/359396269.db2.gz KVCZAXLLNXSBNO-SECBINFHSA-N -1 3 291.800 1.958 20 10 CDCDHM C[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])C(=O)N(C)C ZINC000188993741 299345444 /nfs/dbraw/zinc/34/54/44/299345444.db2.gz ABQMPONYKFCXAU-YUMQZZPRSA-N -1 3 272.295 1.798 20 10 CDCDHM CCC[C@@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272727701 365368646 /nfs/dbraw/zinc/36/86/46/365368646.db2.gz JFCBAENFPOQBEV-SECBINFHSA-N -1 3 253.298 1.297 20 10 CDCDHM O=C(Nc1cc2n(n1)CCCC2)c1cccc(O)c1[O-] ZINC000286375798 368805908 /nfs/dbraw/zinc/80/59/08/368805908.db2.gz FLGZRTWYERHLGK-UHFFFAOYSA-N -1 3 273.292 1.883 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)c([O-])c1O ZINC000371583709 370322308 /nfs/dbraw/zinc/32/23/08/370322308.db2.gz ZZWDPXKPWIDZPE-SNVBAGLBSA-N -1 3 287.319 1.417 20 10 CDCDHM CCc1nc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC000294785944 371091105 /nfs/dbraw/zinc/09/11/05/371091105.db2.gz AXFVDEATTWZQFG-LURJTMIESA-N -1 3 294.286 1.408 20 10 CDCDHM CC[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182531916 391236585 /nfs/dbraw/zinc/23/65/85/391236585.db2.gz QRZNNSQUCPJIJM-ZDUSSCGKSA-N -1 3 253.298 1.297 20 10 CDCDHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccccc1[O-] ZINC000179575619 391212821 /nfs/dbraw/zinc/21/28/21/391212821.db2.gz JXYBWWVDSSJGOM-MNOVXSKESA-N -1 3 271.382 1.646 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC(C)(C)O1 ZINC000126367184 260349320 /nfs/dbraw/zinc/34/93/20/260349320.db2.gz SPZKDFJUIOPWSL-SECBINFHSA-N -1 3 265.309 1.737 20 10 CDCDHM [O-]c1ccccc1CN1CCOC[C@@H]1c1ncon1 ZINC000378542826 329054422 /nfs/dbraw/zinc/05/44/22/329054422.db2.gz PATPVMNJCQFGDA-LLVKDONJSA-N -1 3 261.281 1.349 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@H]2CCCCNC2=O)c([O-])c1O ZINC000378566581 329055227 /nfs/dbraw/zinc/05/52/27/329055227.db2.gz ATHCTIUETGTLFO-NSHDSACASA-N -1 3 292.335 1.147 20 10 CDCDHM COCC[C@@H]1COCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000292062152 521886360 /nfs/dbraw/zinc/88/63/60/521886360.db2.gz CCDNJCMFKAAGCT-LLVKDONJSA-N -1 3 295.335 1.284 20 10 CDCDHM COC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278270168 522596212 /nfs/dbraw/zinc/59/62/12/522596212.db2.gz ROPIDIPYZRSYPE-VIFPVBQESA-N -1 3 284.312 1.776 20 10 CDCDHM C[C@H]1CN(Cc2ccccc2[O-])CC[S@](=O)C1 ZINC000277311891 524635978 /nfs/dbraw/zinc/63/59/78/524635978.db2.gz BPGZPGCGYWZMOT-GTNSWQLSSA-N -1 3 253.367 1.593 20 10 CDCDHM C[C@@H](NCc1nncn1C)c1ccc(F)cc1[O-] ZINC000062747798 525567664 /nfs/dbraw/zinc/56/76/64/525567664.db2.gz RHUVFPXVTUBZSE-MRVPVSSYSA-N -1 3 250.277 1.511 20 10 CDCDHM CCCCNC(=O)COC(=O)c1cc([O-])cs1 ZINC000731909807 575070293 /nfs/dbraw/zinc/07/02/93/575070293.db2.gz KZGPITJIOVSFTB-UHFFFAOYSA-N -1 3 257.311 1.527 20 10 CDCDHM CCOC(=O)CCCNC(=O)c1cc([O-])cs1 ZINC000732268242 575084973 /nfs/dbraw/zinc/08/49/73/575084973.db2.gz IZVQWUZOQKMSHA-UHFFFAOYSA-N -1 3 257.311 1.527 20 10 CDCDHM O=C(NCCNc1cnccn1)c1cc([O-])cs1 ZINC000732277726 575086090 /nfs/dbraw/zinc/08/60/90/575086090.db2.gz NPBKXFKWJXZPID-UHFFFAOYSA-N -1 3 264.310 1.086 20 10 CDCDHM CCc1nnc(COC(=O)c2cc([O-])cs2)o1 ZINC000732353792 575088222 /nfs/dbraw/zinc/08/82/22/575088222.db2.gz VQBDDUPUSHZYRU-UHFFFAOYSA-N -1 3 254.267 1.756 20 10 CDCDHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc([O-])cs1 ZINC000733366296 575116689 /nfs/dbraw/zinc/11/66/89/575116689.db2.gz PYCFSEMJEGZHAH-SFYZADRCSA-N -1 3 291.394 1.347 20 10 CDCDHM COCCOC[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000743677387 576650590 /nfs/dbraw/zinc/65/05/90/576650590.db2.gz BSGXFRZYWYCMKK-MRVPVSSYSA-N -1 3 259.327 1.235 20 10 CDCDHM COc1cccc([O-])c1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000770303707 575437604 /nfs/dbraw/zinc/43/76/04/575437604.db2.gz IUCGKXKYANEMED-CVEARBPZSA-N -1 3 293.363 1.781 20 10 CDCDHM C[C@H]1COCCN1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441771 576283439 /nfs/dbraw/zinc/28/34/39/576283439.db2.gz MTTNUNLZFXSHPF-TVQRCGJNSA-N -1 3 265.309 1.039 20 10 CDCDHM COC(=O)N1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000768931122 576318111 /nfs/dbraw/zinc/31/81/11/576318111.db2.gz GKRGKSZNDNBVKL-UHFFFAOYSA-N -1 3 280.324 1.285 20 10 CDCDHM COC(=O)C[C@H]1CN(Cc2c([O-])cccc2OC)CCO1 ZINC000769446026 576354384 /nfs/dbraw/zinc/35/43/84/576354384.db2.gz KCNPPCZAUZEHFV-NSHDSACASA-N -1 3 295.335 1.165 20 10 CDCDHM C[C@@H](NCCS(C)(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000756501320 576992366 /nfs/dbraw/zinc/99/23/66/576992366.db2.gz AGSHFRGCMJMIHF-SSDOTTSWSA-N -1 3 279.308 1.366 20 10 CDCDHM C[C@H](NCc1nnnn1C1CC1)c1cc(F)ccc1[O-] ZINC000756734673 577002066 /nfs/dbraw/zinc/00/20/66/577002066.db2.gz YBQRTILAIYSHKR-QMMMGPOBSA-N -1 3 277.303 1.704 20 10 CDCDHM O=C(NCCCNC(=O)C1CCC1)c1cc([O-])cs1 ZINC000752820202 577130094 /nfs/dbraw/zinc/13/00/94/577130094.db2.gz ILJXMMSDTHFPAQ-UHFFFAOYSA-N -1 3 282.365 1.490 20 10 CDCDHM COc1ccc(O)c(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000833733907 605095314 /nfs/dbraw/zinc/09/53/14/605095314.db2.gz VHXGGGRNYXBLHQ-UHFFFAOYSA-N -1 3 277.276 1.982 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCN1CCO ZINC000894503030 618924506 /nfs/dbraw/zinc/92/45/06/618924506.db2.gz FYBWPPNFUBDWFW-SNVBAGLBSA-N -1 3 286.322 1.169 20 10 CDCDHM C[C@@H]([NH2+]CCC(C)(C)O)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339406 1163157021 /nfs/dbraw/zinc/15/70/21/1163157021.db2.gz XWKGZEFCEQOHIH-SECBINFHSA-N -1 3 267.325 1.902 20 10 CDCDHM CC[C@H](CCO)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590439963 1173410899 /nfs/dbraw/zinc/41/08/99/1173410899.db2.gz VCCGFEISZXWQIZ-NXEZZACHSA-N -1 3 291.355 1.384 20 10 CDCDHM O=C(NCCC1CCOCC1)c1cccc(O)c1[O-] ZINC000311467289 1186686217 /nfs/dbraw/zinc/68/62/17/1186686217.db2.gz HVNINPDFHHZLPE-UHFFFAOYSA-N -1 3 265.309 1.644 20 10 CDCDHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])c2nccn21 ZINC000836960090 728875618 /nfs/dbraw/zinc/87/56/18/728875618.db2.gz OZORRPHMXPCUBN-WCBMZHEXSA-N -1 3 273.292 1.730 20 10 CDCDHM C[C@H](CS(C)(=O)=O)N(C)Cc1cc(F)ccc1[O-] ZINC000180150626 728395870 /nfs/dbraw/zinc/39/58/70/728395870.db2.gz HSPLUADRLKFUKW-SECBINFHSA-N -1 3 275.345 1.396 20 10 CDCDHM CC[C@@H]1C(=O)N(CC)CCN1Cc1cc(F)ccc1[O-] ZINC000779218941 728517726 /nfs/dbraw/zinc/51/77/26/728517726.db2.gz WTEQJBWDDQHEHO-CYBMUJFWSA-N -1 3 280.343 1.974 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCOC1 ZINC000389050859 728531362 /nfs/dbraw/zinc/53/13/62/728531362.db2.gz RXRWDWGNGHBUPP-VHSXEESVSA-N -1 3 265.309 1.643 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(OC(F)F)C1 ZINC000399989754 729004802 /nfs/dbraw/zinc/00/48/02/729004802.db2.gz OXIHEVHOQAVFDN-UHFFFAOYSA-N -1 3 259.208 1.161 20 10 CDCDHM O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ccccc1[O-] ZINC000091133810 729281490 /nfs/dbraw/zinc/28/14/90/729281490.db2.gz YZDZFUQIRUWTDI-NSHDSACASA-N -1 3 267.350 1.784 20 10 CDCDHM O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccccc1[O-] ZINC000091133810 729281492 /nfs/dbraw/zinc/28/14/92/729281492.db2.gz YZDZFUQIRUWTDI-NSHDSACASA-N -1 3 267.350 1.784 20 10 CDCDHM O=S1(=O)CC[C@H](N(Cc2cc(F)ccc2[O-])C2CC2)C1 ZINC000179935474 729387341 /nfs/dbraw/zinc/38/73/41/729387341.db2.gz VOGIWJFHINJVKO-ZDUSSCGKSA-N -1 3 299.367 1.683 20 10 CDCDHM [O-]c1c(CN2CC[C@@H](N3CCOCC3)C2)ccc(F)c1F ZINC000876619061 729811265 /nfs/dbraw/zinc/81/12/65/729811265.db2.gz NNIJMOSNYQIJQP-GFCCVEGCSA-N -1 3 298.333 1.577 20 10 CDCDHM COC(=O)[C@H](COC(C)C)N(C)Cc1cc(F)ccc1[O-] ZINC000779033845 729982063 /nfs/dbraw/zinc/98/20/63/729982063.db2.gz OUGOUSBKJQRUFZ-ZDUSSCGKSA-N -1 3 299.342 1.930 20 10 CDCDHM CC(C)C(=O)NCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609682792 1165038198 /nfs/dbraw/zinc/03/81/98/1165038198.db2.gz MNTMMBKHUURIDI-SNVBAGLBSA-N -1 3 294.351 1.513 20 10 CDCDHM CC(C)NC(=O)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609707043 1165050548 /nfs/dbraw/zinc/05/05/48/1165050548.db2.gz GKGUHHKDTWCJIV-JTQLQIEISA-N -1 3 294.351 1.656 20 10 CDCDHM COC(=O)C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203650997 920267987 /nfs/dbraw/zinc/26/79/87/920267987.db2.gz HQKUENBTYSELSW-UHFFFAOYSA-N -1 3 255.701 1.650 20 10 CDCDHM [O-]c1cccc(Br)c1CN1CC(O)C1 ZINC001140098992 936678260 /nfs/dbraw/zinc/67/82/60/936678260.db2.gz WGHUVYUQYXKGNY-UHFFFAOYSA-N -1 3 258.115 1.331 20 10 CDCDHM COC[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC001140060427 936675710 /nfs/dbraw/zinc/67/57/10/936675710.db2.gz VOGWQMNQBMZCSN-LBPRGKRZSA-N -1 3 255.289 1.379 20 10 CDCDHM N#CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140342496 936703891 /nfs/dbraw/zinc/70/38/91/936703891.db2.gz LYGGGPHSSVKYBF-UHFFFAOYSA-N -1 3 251.717 1.644 20 10 CDCDHM CC(C)[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC001148218807 932669857 /nfs/dbraw/zinc/66/98/57/932669857.db2.gz LXUGKSFNCOAXNY-NSHDSACASA-N -1 3 265.309 1.595 20 10 CDCDHM O=C(N[C@H]1CCCc2nccnc21)c1cccc(O)c1[O-] ZINC001148224157 932672277 /nfs/dbraw/zinc/67/22/77/932672277.db2.gz DXOASJJKOTZRBC-NSHDSACASA-N -1 3 285.303 1.695 20 10 CDCDHM O=C(NCc1cn(CC2CC2)cn1)c1cccc(O)c1[O-] ZINC001148224577 932672394 /nfs/dbraw/zinc/67/23/94/932672394.db2.gz PVOFBJQLHPEKPH-UHFFFAOYSA-N -1 3 287.319 1.634 20 10 CDCDHM O=C(Nc1nccc2cnccc21)c1cc(O)c([O-])c(O)c1 ZINC001148579966 932749881 /nfs/dbraw/zinc/74/98/81/932749881.db2.gz CXPFTAUBMCYXAB-UHFFFAOYSA-N -1 3 297.270 1.999 20 10 CDCDHM O=C(Nc1ccc2ncncc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148586699 932753453 /nfs/dbraw/zinc/75/34/53/932753453.db2.gz USKNUIGGBBHJMB-UHFFFAOYSA-N -1 3 297.270 1.999 20 10 CDCDHM O=C(NC[C@H](O)C1CCCCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589847 932755052 /nfs/dbraw/zinc/75/50/52/932755052.db2.gz NOUFRTJFAMEZIB-ZDUSSCGKSA-N -1 3 295.335 1.474 20 10 CDCDHM O=C(NC[C@@H](CO)c1ccccc1)c1cccc(O)c1[O-] ZINC000193128265 934665431 /nfs/dbraw/zinc/66/54/31/934665431.db2.gz ZKCQGHWYBBRGIO-LBPRGKRZSA-N -1 3 287.315 1.604 20 10 CDCDHM O=C(Nc1cnc2ccnn2c1)c1cccc(O)c1[O-] ZINC001159202918 938711842 /nfs/dbraw/zinc/71/18/42/938711842.db2.gz TXAKCQYXDYRWER-UHFFFAOYSA-N -1 3 270.248 1.393 20 10 CDCDHM CCOC(=O)[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203664735 939700318 /nfs/dbraw/zinc/70/03/18/939700318.db2.gz SWXPGIZOTSBPTJ-LBPRGKRZSA-N -1 3 299.754 1.810 20 10 CDCDHM CC(=O)N1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231447025 942893622 /nfs/dbraw/zinc/89/36/22/942893622.db2.gz NMIOWNVXEQNAGN-UHFFFAOYSA-N -1 3 292.335 1.145 20 10 CDCDHM CC(=O)N1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231447025 942893626 /nfs/dbraw/zinc/89/36/26/942893626.db2.gz NMIOWNVXEQNAGN-UHFFFAOYSA-N -1 3 292.335 1.145 20 10 CDCDHM CO[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447232 942894980 /nfs/dbraw/zinc/89/49/80/942894980.db2.gz QEWGCICCUXJWKT-LBPRGKRZSA-N -1 3 265.309 1.701 20 10 CDCDHM CO[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447232 942894984 /nfs/dbraw/zinc/89/49/84/942894984.db2.gz QEWGCICCUXJWKT-LBPRGKRZSA-N -1 3 265.309 1.701 20 10 CDCDHM C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560470 942925971 /nfs/dbraw/zinc/92/59/71/942925971.db2.gz IZZUNNXGXLTZNJ-GHMZBOCLSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560470 942925977 /nfs/dbraw/zinc/92/59/77/942925977.db2.gz IZZUNNXGXLTZNJ-GHMZBOCLSA-N -1 3 279.336 1.683 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1 ZINC001231568587 942931848 /nfs/dbraw/zinc/93/18/48/942931848.db2.gz NJCJUZFNFJHZPM-YPMHNXCESA-N -1 3 289.331 1.891 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1 ZINC001231568587 942931853 /nfs/dbraw/zinc/93/18/53/942931853.db2.gz NJCJUZFNFJHZPM-YPMHNXCESA-N -1 3 289.331 1.891 20 10 CDCDHM C[C@@H]1COCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232260895 943192345 /nfs/dbraw/zinc/19/23/45/943192345.db2.gz SLKPGQMYSMVNOH-MRVPVSSYSA-N -1 3 257.717 1.972 20 10 CDCDHM O=C1CN(Cc2cc(Cl)c([O-])cc2O)C[C@H]2CCCN12 ZINC001232262801 943194273 /nfs/dbraw/zinc/19/42/73/943194273.db2.gz QNXYTYHEIOBPRU-SNVBAGLBSA-N -1 3 296.754 1.558 20 10 CDCDHM CNC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232263204 943194871 /nfs/dbraw/zinc/19/48/71/943194871.db2.gz JXNOMXPGDHMTPK-UHFFFAOYSA-N -1 3 299.758 1.208 20 10 CDCDHM C[C@]1(CO)CCN(Cc2c([O-])ccc(F)c2F)C[C@H]1O ZINC001233332424 943545372 /nfs/dbraw/zinc/54/53/72/943545372.db2.gz KSZGRGVDLPMEOZ-TZMCWYRMSA-N -1 3 287.306 1.236 20 10 CDCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@H](CO)[C@@H](O)C1 ZINC001237120093 944660838 /nfs/dbraw/zinc/66/08/38/944660838.db2.gz JALCZFBSQPJVDU-PELKAZGASA-N -1 3 289.734 1.360 20 10 CDCDHM C[C@]1(O)COCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237123650 944661571 /nfs/dbraw/zinc/66/15/71/944661571.db2.gz JWHVHSYQJFIIQR-CYBMUJFWSA-N -1 3 289.734 1.768 20 10 CDCDHM Cc1ccc(C[NH2+]CC2(C(=O)[O-])CCOCC2)c([O-])c1 ZINC001594362663 958464507 /nfs/dbraw/zinc/46/45/07/958464507.db2.gz YTPUUCOZRMYSHS-UHFFFAOYSA-N -1 3 279.336 1.672 20 10 CDCDHM C[C@H]([NH2+][C@H](CO)CCF)c1cc(C(=O)[O-])ccc1[O-] ZINC001593209514 994239156 /nfs/dbraw/zinc/23/91/56/994239156.db2.gz MLSJYPGZFDEGIV-WPRPVWTQSA-N -1 3 271.288 1.462 20 10 CDCDHM CCCCN1CC(=O)N[C@@H]1c1cc(F)ccc1[O-] ZINC000077476169 342328938 /nfs/dbraw/zinc/32/89/38/342328938.db2.gz XCXKBSHBYFXKBM-ZDUSSCGKSA-N -1 3 252.289 1.762 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@](CO)(C(C)C)C2)c([O-])c1O ZINC000366521897 362058714 /nfs/dbraw/zinc/05/87/14/362058714.db2.gz QPFDUWSGYXFBOB-MRXNPFEDSA-N -1 3 293.363 1.887 20 10 CDCDHM Cc1cc(Cl)cc(CN(C)CC(=O)N(C)C)c1[O-] ZINC000179589322 357213788 /nfs/dbraw/zinc/21/37/88/357213788.db2.gz BLIFNUNIQNRQIJ-UHFFFAOYSA-N -1 3 270.760 1.874 20 10 CDCDHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000187037728 357720607 /nfs/dbraw/zinc/72/06/07/357720607.db2.gz XNUNBNXFXJIHPK-IUCAKERBSA-N -1 3 280.324 1.131 20 10 CDCDHM C[C@@H](CS(C)(=O)=O)NCc1cccc(Cl)c1[O-] ZINC000124814573 360403257 /nfs/dbraw/zinc/40/32/57/360403257.db2.gz ZXBRXVSLEMAAPC-QMMMGPOBSA-N -1 3 277.773 1.568 20 10 CDCDHM Cc1ccc(C(=O)NCCc2cnn(C)c2)c([O-])c1O ZINC000271233313 364977620 /nfs/dbraw/zinc/97/76/20/364977620.db2.gz BRPVDEZDMQNKAD-UHFFFAOYSA-N -1 3 275.308 1.112 20 10 CDCDHM Cn1nncc1CNCc1cc(Br)ccc1[O-] ZINC000288377818 366955302 /nfs/dbraw/zinc/95/53/02/366955302.db2.gz FRSKFDDVKAIDIL-UHFFFAOYSA-N -1 3 297.156 1.573 20 10 CDCDHM Cc1noc(C(C)(C)NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000285586562 368643659 /nfs/dbraw/zinc/64/36/59/368643659.db2.gz AKLKCRLKXFQQLH-UHFFFAOYSA-N -1 3 291.307 1.763 20 10 CDCDHM CCN1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295357199 371235721 /nfs/dbraw/zinc/23/57/21/371235721.db2.gz IVJIYQMWQLZPQI-UHFFFAOYSA-N -1 3 282.315 1.451 20 10 CDCDHM CCN(Cc1cccc(Cl)c1[O-])[C@H]1CCNC1=O ZINC000281722683 285105601 /nfs/dbraw/zinc/10/56/01/285105601.db2.gz IOHRAZKATOSOQT-NSHDSACASA-N -1 3 268.744 1.756 20 10 CDCDHM CCCOc1ccc(CN(CC(N)=O)C(C)C)c([O-])c1 ZINC000133022926 390901075 /nfs/dbraw/zinc/90/10/75/390901075.db2.gz VOYCOQJWACHQAI-UHFFFAOYSA-N -1 3 280.368 1.877 20 10 CDCDHM COC(=O)C[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000179576341 391213072 /nfs/dbraw/zinc/21/30/72/391213072.db2.gz WVQWXDLSQYHHCW-LBPRGKRZSA-N -1 3 265.309 1.156 20 10 CDCDHM CCCOc1ccc(CN(C)Cc2nncn2C)c([O-])c1 ZINC000290080345 392024188 /nfs/dbraw/zinc/02/41/88/392024188.db2.gz GIZFCIKPNUEQKD-UHFFFAOYSA-N -1 3 290.367 1.942 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1ncon1 ZINC000185698315 262067364 /nfs/dbraw/zinc/06/73/64/262067364.db2.gz YHPWYCUKEKJHKF-SNVBAGLBSA-N -1 3 289.291 1.848 20 10 CDCDHM CC1(C)[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H]2CCO[C@@H]21 ZINC000187120632 262125071 /nfs/dbraw/zinc/12/50/71/262125071.db2.gz HPKCZNQICSJULN-ICCXJUOJSA-N -1 3 277.320 1.641 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000180266063 329219006 /nfs/dbraw/zinc/21/90/06/329219006.db2.gz CMVGZZHGYWMPBA-GJZGRUSLSA-N -1 3 281.327 1.911 20 10 CDCDHM CCCOc1ccc([C@@H]2NC(=O)[C@@H]3COCCN23)c([O-])c1 ZINC000093884780 520425051 /nfs/dbraw/zinc/42/50/51/520425051.db2.gz RLGNEYMROWSZJY-GXTWGEPZSA-N -1 3 292.335 1.010 20 10 CDCDHM COc1c([O-])c(CN2CCC(C)(O)CC2)ccc1[N+](=O)[O-] ZINC000278178635 521871604 /nfs/dbraw/zinc/87/16/04/521871604.db2.gz GQFULQVMNQDLSN-UHFFFAOYSA-N -1 3 296.323 1.656 20 10 CDCDHM COC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])[C@H]1CCCO1 ZINC000279340004 522727795 /nfs/dbraw/zinc/72/77/95/522727795.db2.gz DUXGCXKYUXSPMX-NWDGAFQWSA-N -1 3 295.335 1.330 20 10 CDCDHM CC(=O)NCC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732277193 575085796 /nfs/dbraw/zinc/08/57/96/575085796.db2.gz CYURHVCVBWYTAS-UHFFFAOYSA-N -1 3 282.365 1.442 20 10 CDCDHM CN(Cc1cccc(C(N)=O)c1)C(=O)c1cc([O-])cs1 ZINC000732275549 575085936 /nfs/dbraw/zinc/08/59/36/575085936.db2.gz KQBOJMKKOOFGRQ-UHFFFAOYSA-N -1 3 290.344 1.825 20 10 CDCDHM COC(=O)N1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732283045 575086707 /nfs/dbraw/zinc/08/67/07/575086707.db2.gz WCAVZMUYIKUPBI-QMMMGPOBSA-N -1 3 284.337 1.414 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)C(=O)OC(C)(C)C ZINC000732290354 575087310 /nfs/dbraw/zinc/08/73/10/575087310.db2.gz UTWPLLRARPXFMN-SSDOTTSWSA-N -1 3 271.338 1.914 20 10 CDCDHM NC(=O)[C@@H](OC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000732352735 575088076 /nfs/dbraw/zinc/08/80/76/575088076.db2.gz DMNUEEYIILWWIU-NSHDSACASA-N -1 3 295.291 1.976 20 10 CDCDHM CCOC(=O)[C@H](C)NCc1ccc(OCC)cc1[O-] ZINC000763269010 576727802 /nfs/dbraw/zinc/72/78/02/576727802.db2.gz KZIBFSWORSOMCP-JTQLQIEISA-N -1 3 267.325 1.832 20 10 CDCDHM COC1(CO)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000774936154 575253363 /nfs/dbraw/zinc/25/33/63/575253363.db2.gz JOKFEQHVQACQTN-UHFFFAOYSA-N -1 3 271.338 1.067 20 10 CDCDHM Cc1nnc(COC(=O)c2cc([O-])cs2)s1 ZINC000773518831 575818494 /nfs/dbraw/zinc/81/84/94/575818494.db2.gz NGMBTUKWYNFJIU-UHFFFAOYSA-N -1 3 256.308 1.971 20 10 CDCDHM COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])cs1 ZINC000765864118 576061259 /nfs/dbraw/zinc/06/12/59/576061259.db2.gz GBVAHWJVIATHIE-ZCFIWIBFSA-N -1 3 297.254 1.678 20 10 CDCDHM COCCN1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000768220979 576265705 /nfs/dbraw/zinc/26/57/05/576265705.db2.gz VQCUYQVAGUXJTI-UHFFFAOYSA-N -1 3 280.368 1.165 20 10 CDCDHM CCOc1ccc(CN2CCN(C)C(=O)C2(C)C)c([O-])c1 ZINC000769482132 576357759 /nfs/dbraw/zinc/35/77/59/576357759.db2.gz HHZJXUQALKROKO-UHFFFAOYSA-N -1 3 292.379 1.844 20 10 CDCDHM COc1cccc([O-])c1CN1CC[C@H](C)[S@@](=O)CC1 ZINC000763494460 576739652 /nfs/dbraw/zinc/73/96/52/576739652.db2.gz ULDVKUKGRKSJIP-WLRWDXFRSA-N -1 3 283.393 1.744 20 10 CDCDHM CN1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000748242831 576902885 /nfs/dbraw/zinc/90/28/85/576902885.db2.gz SBJNPWFOYHVADP-NSHDSACASA-N -1 3 279.296 1.011 20 10 CDCDHM C[C@H](CC[S@](C)=O)NC(=O)c1cc([O-])cs1 ZINC000748373621 576909583 /nfs/dbraw/zinc/90/95/83/576909583.db2.gz YVMYCSMQDCDEIC-QZTNRIJFSA-N -1 3 261.368 1.341 20 10 CDCDHM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000833554042 604544640 /nfs/dbraw/zinc/54/46/40/604544640.db2.gz MPZDNGSCXGLQNE-IUODEOHRSA-N -1 3 293.319 1.115 20 10 CDCDHM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000833554042 604544644 /nfs/dbraw/zinc/54/46/44/604544644.db2.gz MPZDNGSCXGLQNE-IUODEOHRSA-N -1 3 293.319 1.115 20 10 CDCDHM CC(=Cc1cccnc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893205661 617462439 /nfs/dbraw/zinc/46/24/39/617462439.db2.gz RMRPQJMFJMUGKJ-FLIBITNWSA-N -1 3 296.330 1.960 20 10 CDCDHM CN(C)C(=O)NCCN(C)Cc1cc(F)cc(F)c1[O-] ZINC000894375800 618833104 /nfs/dbraw/zinc/83/31/04/618833104.db2.gz UZHWVAILYRMCDP-UHFFFAOYSA-N -1 3 287.310 1.373 20 10 CDCDHM Oc1cccc(F)c1CNc1nnccc1-c1nnn[n-]1 ZINC001607111963 1164089640 /nfs/dbraw/zinc/08/96/40/1164089640.db2.gz QIRDKRYEGIFKDO-UHFFFAOYSA-N -1 3 287.258 1.114 20 10 CDCDHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000790917022 730601508 /nfs/dbraw/zinc/60/15/08/730601508.db2.gz YDTKAILBLKZMKF-ZEGGKSINSA-N -1 3 279.336 1.887 20 10 CDCDHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cccc(O)c1[O-] ZINC000790882936 730612135 /nfs/dbraw/zinc/61/21/35/730612135.db2.gz SWWLMBUZFAPOFT-VHSXEESVSA-N -1 3 265.309 1.643 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CC[C@@](F)(CO)C1 ZINC000802660934 731389701 /nfs/dbraw/zinc/38/97/01/731389701.db2.gz ZWPISTNGVMQBGP-LBPRGKRZSA-N -1 3 259.708 1.952 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877765188 731469601 /nfs/dbraw/zinc/46/96/01/731469601.db2.gz USYJFRRTNNZQFG-AOOOYVTPSA-N -1 3 289.734 1.217 20 10 CDCDHM Cn1cc(CNCc2cc(Cl)c(F)cc2[O-])nn1 ZINC000816567410 731808644 /nfs/dbraw/zinc/80/86/44/731808644.db2.gz ZTQOYLGYBUYAFH-UHFFFAOYSA-N -1 3 270.695 1.603 20 10 CDCDHM CCOC(=O)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126270401 731983128 /nfs/dbraw/zinc/98/31/28/731983128.db2.gz VQZSZBJVNGQHLT-LLVKDONJSA-N -1 3 293.319 1.656 20 10 CDCDHM CC(=O)N1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708432498 732872970 /nfs/dbraw/zinc/87/29/70/732872970.db2.gz CQMLITROUOSVQL-UHFFFAOYSA-N -1 3 284.306 1.725 20 10 CDCDHM CN(Cc1nnc2ccccn21)C(=O)c1cccc(O)c1[O-] ZINC000790612933 733087777 /nfs/dbraw/zinc/08/77/77/733087777.db2.gz CMLOYTPGINYDKR-UHFFFAOYSA-N -1 3 298.302 1.413 20 10 CDCDHM COCC[N@H+](CCC(=O)[O-])Cc1c([O-])cccc1OC ZINC001610260483 1165278394 /nfs/dbraw/zinc/27/83/94/1165278394.db2.gz HHIWWZYTHOQFGX-UHFFFAOYSA-N -1 3 283.324 1.324 20 10 CDCDHM COCC[N@@H+](CCC(=O)[O-])Cc1c([O-])cccc1OC ZINC001610260483 1165278402 /nfs/dbraw/zinc/27/84/02/1165278402.db2.gz HHIWWZYTHOQFGX-UHFFFAOYSA-N -1 3 283.324 1.324 20 10 CDCDHM CC(=O)N[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520597 908847346 /nfs/dbraw/zinc/84/73/46/908847346.db2.gz MAMYCVWIQZMNNY-LLVKDONJSA-N -1 3 284.306 1.771 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(O)(CO)CC1 ZINC000827146054 936494300 /nfs/dbraw/zinc/49/43/00/936494300.db2.gz BQFPTLNCXUJGSR-UHFFFAOYSA-N -1 3 289.734 1.504 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CC(N2CCCC2)C1 ZINC001139683604 936635190 /nfs/dbraw/zinc/63/51/90/936635190.db2.gz OCHMPMOJBQTKOQ-UHFFFAOYSA-N -1 3 268.307 1.950 20 10 CDCDHM CN(C1CN(Cc2cc(F)c(F)cc2[O-])C1)[C@@H]1CCOC1 ZINC001142524768 937027846 /nfs/dbraw/zinc/02/78/46/937027846.db2.gz JQJWHTBUNJFQAH-LLVKDONJSA-N -1 3 298.333 1.575 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2CCO[C@H]2C1 ZINC001148212197 932667895 /nfs/dbraw/zinc/66/78/95/932667895.db2.gz QKTWIWRUTOIVSP-SKDRFNHKSA-N -1 3 263.293 1.349 20 10 CDCDHM Cc1ccn2c(CNC(=O)c3cccc(O)c3[O-])cnc2c1 ZINC001148220155 932671798 /nfs/dbraw/zinc/67/17/98/932671798.db2.gz UISJJBHOEWVVSB-UHFFFAOYSA-N -1 3 297.314 1.984 20 10 CDCDHM O=C(N[C@@H]1CCCc2nccnc21)c1cccc(O)c1[O-] ZINC001148224156 932672307 /nfs/dbraw/zinc/67/23/07/932672307.db2.gz DXOASJJKOTZRBC-LLVKDONJSA-N -1 3 285.303 1.695 20 10 CDCDHM Cc1cc(CN(C)C(=O)c2cc(O)c([O-])c(O)c2)n(C)n1 ZINC001148584071 932752836 /nfs/dbraw/zinc/75/28/36/932752836.db2.gz MTVCNTCZPMMMLW-UHFFFAOYSA-N -1 3 291.307 1.118 20 10 CDCDHM O=C(Nc1n[nH]cc1Br)c1cccc(O)c1[O-] ZINC000310341953 941299460 /nfs/dbraw/zinc/29/94/60/941299460.db2.gz DBOGAUNUSVNFBX-UHFFFAOYSA-N -1 3 298.096 1.836 20 10 CDCDHM C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@]1(C)O ZINC001231447873 942893408 /nfs/dbraw/zinc/89/34/08/942893408.db2.gz XJQDBWQXZPLMQK-MEBBXXQBSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@]1(C)O ZINC001231447873 942893418 /nfs/dbraw/zinc/89/34/18/942893418.db2.gz XJQDBWQXZPLMQK-MEBBXXQBSA-N -1 3 279.336 1.683 20 10 CDCDHM COc1cc([O-])c(CN(C)CC(=O)N(C)C)cc1Cl ZINC001232265555 943195462 /nfs/dbraw/zinc/19/54/62/943195462.db2.gz XPGOLDTWAUIQGN-UHFFFAOYSA-N -1 3 286.759 1.574 20 10 CDCDHM COc1cc([O-])c(CN2CCN(C(N)=O)CC2)c(Cl)c1 ZINC001236799712 944572485 /nfs/dbraw/zinc/57/24/85/944572485.db2.gz PCDILWNXHLSNOE-UHFFFAOYSA-N -1 3 299.758 1.251 20 10 CDCDHM COc1cc([O-])c(CN2CCNC(=O)CC2)c(Cl)c1 ZINC001236802762 944572877 /nfs/dbraw/zinc/57/28/77/944572877.db2.gz JPUSXEPVEHSISF-UHFFFAOYSA-N -1 3 284.743 1.376 20 10 CDCDHM COc1ccc(C(=O)NCc2c(O)cccc2O)c([O-])c1 ZINC001304050428 956157564 /nfs/dbraw/zinc/15/75/64/956157564.db2.gz MRZMSOIJJDBDNT-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM CC[N@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001596314924 983746327 /nfs/dbraw/zinc/74/63/27/983746327.db2.gz TWZZJHKZXPKJKC-GFCCVEGCSA-N -1 3 281.308 1.115 20 10 CDCDHM CC[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001596314924 983746330 /nfs/dbraw/zinc/74/63/30/983746330.db2.gz TWZZJHKZXPKJKC-GFCCVEGCSA-N -1 3 281.308 1.115 20 10 CDCDHM CC[N@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001596314925 983746485 /nfs/dbraw/zinc/74/64/85/983746485.db2.gz TWZZJHKZXPKJKC-LBPRGKRZSA-N -1 3 281.308 1.115 20 10 CDCDHM CC[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001596314925 983746486 /nfs/dbraw/zinc/74/64/86/983746486.db2.gz TWZZJHKZXPKJKC-LBPRGKRZSA-N -1 3 281.308 1.115 20 10 CDCDHM CC[C@@H](CO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001597285238 987358119 /nfs/dbraw/zinc/35/81/19/987358119.db2.gz HGOCYYWWIPNMPO-WPRPVWTQSA-N -1 3 253.298 1.512 20 10 CDCDHM CC[C@@H](O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605111846 1163456060 /nfs/dbraw/zinc/45/60/60/1163456060.db2.gz RZVPWXZILSSTLP-MWLCHTKSSA-N -1 3 267.325 1.902 20 10 CDCDHM COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599248922 998195170 /nfs/dbraw/zinc/19/51/70/998195170.db2.gz ACNPNDIFBDOXKR-QWRGUYRKSA-N -1 3 297.351 1.793 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)[C@H]2CCN(C)C2=O)c1[O-] ZINC000079443299 342344594 /nfs/dbraw/zinc/34/45/94/342344594.db2.gz QSLFRBBKLKZMSX-ZDUSSCGKSA-N -1 3 294.326 1.396 20 10 CDCDHM O=C1N[C@H]2CCN(Cc3cccc(Cl)c3[O-])C[C@@H]2CO1 ZINC000281342301 367624052 /nfs/dbraw/zinc/62/40/52/367624052.db2.gz SSTDSBFPNJJEMC-PWSUYJOCSA-N -1 3 296.754 1.976 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCOCC(F)(F)C1 ZINC000290226233 369835157 /nfs/dbraw/zinc/83/51/57/369835157.db2.gz SJCUUUGCAGPXDZ-UHFFFAOYSA-N -1 3 261.243 1.999 20 10 CDCDHM CC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C(C)(C)O ZINC000294022413 378610593 /nfs/dbraw/zinc/61/05/93/378610593.db2.gz QQMJFHHPLRTSSA-JTQLQIEISA-N -1 3 267.325 1.686 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H](C)CCCO)c([O-])c1O ZINC000296010514 378706081 /nfs/dbraw/zinc/70/60/81/378706081.db2.gz LAADNFUHXMRDGC-VIFPVBQESA-N -1 3 267.325 1.545 20 10 CDCDHM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177675168 391173774 /nfs/dbraw/zinc/17/37/74/391173774.db2.gz AWVDFMOLDKNDJV-SNVBAGLBSA-N -1 3 294.351 1.441 20 10 CDCDHM CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179546335 391210723 /nfs/dbraw/zinc/21/07/23/391210723.db2.gz CSYJEYKCQVOAEL-KCJUWKMLSA-N -1 3 267.325 1.543 20 10 CDCDHM CSCCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000281839961 391409658 /nfs/dbraw/zinc/40/96/58/391409658.db2.gz YLQBPYOTFQYJAY-UHFFFAOYSA-N -1 3 255.339 1.923 20 10 CDCDHM CO[C@@H](C)CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591322422 1173606956 /nfs/dbraw/zinc/60/69/56/1173606956.db2.gz QNUGKYYCWOSAJH-UWVGGRQHSA-N -1 3 291.355 1.648 20 10 CDCDHM COC(=O)C[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000180166144 329218145 /nfs/dbraw/zinc/21/81/45/329218145.db2.gz PFELBPUTWRXUER-LBPRGKRZSA-N -1 3 283.299 1.295 20 10 CDCDHM CCCNC(=O)CNCc1c([O-])cccc1Cl ZINC000083551493 519879921 /nfs/dbraw/zinc/87/99/21/519879921.db2.gz MNSQRBGPTLSWMN-UHFFFAOYSA-N -1 3 256.733 1.661 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](O)C2)c1[O-] ZINC000050152784 518283678 /nfs/dbraw/zinc/28/36/78/518283678.db2.gz JFUSGVAMBQKXJY-LBPRGKRZSA-N -1 3 267.300 1.691 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](O)C2)c1[O-] ZINC000061711088 518287187 /nfs/dbraw/zinc/28/71/87/518287187.db2.gz SANIVBQHUCDKFF-NSHDSACASA-N -1 3 253.273 1.301 20 10 CDCDHM CCN(CC(N)=O)Cc1cc(Br)ccc1[O-] ZINC000076118575 520434950 /nfs/dbraw/zinc/43/49/50/520434950.db2.gz GEPRKYCEJZYYTE-UHFFFAOYSA-N -1 3 287.157 1.462 20 10 CDCDHM CCOC(=O)CN(CC(C)C)C(=O)c1cccc(O)c1[O-] ZINC000275064473 520754033 /nfs/dbraw/zinc/75/40/33/520754033.db2.gz ZPIRXADKJLMBDN-UHFFFAOYSA-N -1 3 295.335 1.759 20 10 CDCDHM COc1c([O-])c(CN2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000278178524 521869558 /nfs/dbraw/zinc/86/95/58/521869558.db2.gz GOQQJHAMVSVVRG-LLVKDONJSA-N -1 3 296.323 1.920 20 10 CDCDHM CCCN(Cc1ccccc1[O-])c1nccn(C)c1=O ZINC000770469697 575453504 /nfs/dbraw/zinc/45/35/04/575453504.db2.gz OYIUIIIDCXWLBJ-UHFFFAOYSA-N -1 3 273.336 1.903 20 10 CDCDHM COC(=O)C[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000772574469 575724019 /nfs/dbraw/zinc/72/40/19/575724019.db2.gz CIVMUYLXWIGNNH-MRVPVSSYSA-N -1 3 269.322 1.621 20 10 CDCDHM CS(=O)(=O)[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000764486020 575914737 /nfs/dbraw/zinc/91/47/37/575914737.db2.gz ZMTYOXODQAUCKR-VIFPVBQESA-N -1 3 289.378 1.103 20 10 CDCDHM COc1cccc([O-])c1CN1CCN2C(=O)CC[C@@H]2C1 ZINC000769208076 576337616 /nfs/dbraw/zinc/33/76/16/576337616.db2.gz UNELGEGXLNEDBA-LLVKDONJSA-N -1 3 276.336 1.207 20 10 CDCDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)CC[S@@]1=O ZINC000760922586 576525393 /nfs/dbraw/zinc/52/53/93/576525393.db2.gz RMJVTUJBTLVCTG-QPFGOUBPSA-N -1 3 273.379 1.437 20 10 CDCDHM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc([O-])cs1 ZINC000748299267 576904220 /nfs/dbraw/zinc/90/42/20/576904220.db2.gz QEQKPJSKMFOBNJ-YPMHNXCESA-N -1 3 275.329 1.842 20 10 CDCDHM CCN(CC)C(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756458713 576990963 /nfs/dbraw/zinc/99/09/63/576990963.db2.gz UKJZXJBVHGGWCK-SNVBAGLBSA-N -1 3 295.339 1.819 20 10 CDCDHM C[C@@H](Nc1cnn(CCO)c1)c1cc(F)ccc1[O-] ZINC000756853931 577009713 /nfs/dbraw/zinc/00/97/13/577009713.db2.gz AUDQMTIPBOEVTP-SECBINFHSA-N -1 3 265.288 1.893 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000757422792 577040007 /nfs/dbraw/zinc/04/00/07/577040007.db2.gz ACQJIFUWDXYAPW-MNOVXSKESA-N -1 3 283.349 1.474 20 10 CDCDHM Cc1ccc(C(=O)NOC/C=C/Cl)c([O-])c1O ZINC000794295692 619319469 /nfs/dbraw/zinc/31/94/69/619319469.db2.gz JXVUVUHCOOJVLJ-GORDUTHDSA-N -1 3 257.673 1.820 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCSC[C@H]1CO ZINC000895470591 619683052 /nfs/dbraw/zinc/68/30/52/619683052.db2.gz LXMSWIRSDFKLNS-SNVBAGLBSA-N -1 3 275.320 1.580 20 10 CDCDHM Cc1ccc(C(=O)N2CCO[C@H]2C(F)(F)F)c([O-])c1O ZINC000912088586 629767322 /nfs/dbraw/zinc/76/73/22/629767322.db2.gz QGGJRUSROJFUEF-NSHDSACASA-N -1 3 291.225 1.767 20 10 CDCDHM C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604383590 1163170488 /nfs/dbraw/zinc/17/04/88/1163170488.db2.gz DDFRBUZPTBJWMW-ZJUUUORDSA-N -1 3 267.325 1.902 20 10 CDCDHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1Cc2cccc(O)c2C1 ZINC001606998426 1164055098 /nfs/dbraw/zinc/05/50/98/1164055098.db2.gz GCTMSWPJDZFDKX-UHFFFAOYSA-N -1 3 296.290 1.056 20 10 CDCDHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1Cc2cccc(O)c2C1 ZINC001606998426 1164055106 /nfs/dbraw/zinc/05/51/06/1164055106.db2.gz GCTMSWPJDZFDKX-UHFFFAOYSA-N -1 3 296.290 1.056 20 10 CDCDHM CC(=O)C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001609061454 1164754581 /nfs/dbraw/zinc/75/45/81/1164754581.db2.gz FQHBIGFPEBBUAE-UHFFFAOYSA-N -1 3 280.671 1.057 20 10 CDCDHM CC(=O)C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001609061454 1164754587 /nfs/dbraw/zinc/75/45/87/1164754587.db2.gz FQHBIGFPEBBUAE-UHFFFAOYSA-N -1 3 280.671 1.057 20 10 CDCDHM CN(C)C1CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237620831 1167395690 /nfs/dbraw/zinc/39/56/90/1167395690.db2.gz ZBMOHDDPRUELRU-UHFFFAOYSA-N -1 3 258.724 1.931 20 10 CDCDHM C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978574 1173222061 /nfs/dbraw/zinc/22/20/61/1173222061.db2.gz OWWOJUCPTVUBNP-GUBZILKMSA-N -1 3 273.340 1.879 20 10 CDCDHM CO[C@@H](C)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591467721 1173656940 /nfs/dbraw/zinc/65/69/40/1173656940.db2.gz VVPOUVHJXLLDCS-DTWKUNHWSA-N -1 3 277.328 1.258 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1COC[C@H]1O ZINC000830648885 735217133 /nfs/dbraw/zinc/21/71/33/735217133.db2.gz UZRPFDSIKAXBSK-PSASIEDQSA-N -1 3 261.680 1.034 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCN([C@H]2CCOC2)CC1 ZINC000827119516 735997651 /nfs/dbraw/zinc/99/76/51/735997651.db2.gz MQVGQIQFVAFWKD-ZDUSSCGKSA-N -1 3 296.798 1.952 20 10 CDCDHM NC(=O)C1(NCc2cc(Cl)cc(F)c2[O-])CC1 ZINC000792175720 733594049 /nfs/dbraw/zinc/59/40/49/733594049.db2.gz ZRWDCGFYEHGVEL-UHFFFAOYSA-N -1 3 258.680 1.292 20 10 CDCDHM NC(=O)CCn1ccc(NCc2c([O-])cccc2Cl)n1 ZINC000134082523 733860113 /nfs/dbraw/zinc/86/01/13/733860113.db2.gz QAESBCHWNRWJMT-UHFFFAOYSA-N -1 3 294.742 1.730 20 10 CDCDHM CN(C)c1ccc(/C=C/CN2CC(C(=O)[O-])C2)cc1 ZINC000840998713 733860821 /nfs/dbraw/zinc/86/08/21/733860821.db2.gz OYXVNKHPMGWELV-ONEGZZNKSA-N -1 3 260.337 1.782 20 10 CDCDHM CNC(=O)CN(C)Cc1cc(Br)ccc1[O-] ZINC000132594449 733863203 /nfs/dbraw/zinc/86/32/03/733863203.db2.gz XBXUSIFVEUVATF-UHFFFAOYSA-N -1 3 287.157 1.333 20 10 CDCDHM Cn1cncc1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289750997 734287717 /nfs/dbraw/zinc/28/77/17/734287717.db2.gz HKBPYXRAEPMSHE-UHFFFAOYSA-N -1 3 296.714 1.977 20 10 CDCDHM CCN1CCN(Cc2cc(F)ccc2[O-])C(C)(C)C1=O ZINC000190029816 734331606 /nfs/dbraw/zinc/33/16/06/734331606.db2.gz HIBUZECILKBQBS-UHFFFAOYSA-N -1 3 280.343 1.974 20 10 CDCDHM O=C(NCCOc1ccccc1)c1cccc(O)c1[O-] ZINC000126347235 734337346 /nfs/dbraw/zinc/33/73/46/734337346.db2.gz OYSNDDQCTJTRPZ-UHFFFAOYSA-N -1 3 273.288 1.907 20 10 CDCDHM CC1(C)C[C@](C)(NC(=O)c2cccc(O)c2[O-])C(=O)O1 ZINC000848146494 734358421 /nfs/dbraw/zinc/35/84/21/734358421.db2.gz BYAVWUFWRUVPAR-AWEZNQCLSA-N -1 3 279.292 1.312 20 10 CDCDHM COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cccc(O)c1[O-] ZINC000886347530 734913394 /nfs/dbraw/zinc/91/33/94/734913394.db2.gz OWXJXDGOLAAGTN-PSLIRLAXSA-N -1 3 291.303 1.266 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](n2ccnc2)C1 ZINC000790643267 735001834 /nfs/dbraw/zinc/00/18/34/735001834.db2.gz LDXGHKUXVZTLEE-NSHDSACASA-N -1 3 287.319 1.772 20 10 CDCDHM Cc1cnc(CNC(=O)c2cccc(O)c2[O-])s1 ZINC000193099145 735189790 /nfs/dbraw/zinc/18/97/90/735189790.db2.gz BJZUZIXMRWIOHR-UHFFFAOYSA-N -1 3 264.306 1.793 20 10 CDCDHM COC(CN(C)Cc1cc(F)c(F)cc1[O-])OC ZINC001142527127 908866151 /nfs/dbraw/zinc/86/61/51/908866151.db2.gz LPDJRIAIAJJBGQ-UHFFFAOYSA-N -1 3 261.268 1.721 20 10 CDCDHM O=C1CN(Cc2cc(F)ccc2[O-])CC2(CCCC2)N1 ZINC001140056344 936674375 /nfs/dbraw/zinc/67/43/75/936674375.db2.gz RTGUAZGSQIRVPD-UHFFFAOYSA-N -1 3 278.327 1.776 20 10 CDCDHM [O-]c1ccc(F)cc1CN(CCO)CC(F)(F)F ZINC001140058573 936675294 /nfs/dbraw/zinc/67/52/94/936675294.db2.gz HNPHBDXTEAIXOW-UHFFFAOYSA-N -1 3 267.222 1.888 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CC[C@](F)(CO)C1 ZINC001140461932 936712770 /nfs/dbraw/zinc/71/27/70/936712770.db2.gz YZTWGUOHRCQMKO-GFCCVEGCSA-N -1 3 259.708 1.952 20 10 CDCDHM CCN1CC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000882491768 930019548 /nfs/dbraw/zinc/01/95/48/930019548.db2.gz LIIFRTYDBGIVRF-QMMMGPOBSA-N -1 3 268.288 1.061 20 10 CDCDHM CN1C[C@@H]2CN(Cc3ccc(Cl)cc3[O-])C[C@H](C1)O2 ZINC001275267527 931718711 /nfs/dbraw/zinc/71/87/11/931718711.db2.gz QKWDWUKNXNJXFQ-BETUJISGSA-N -1 3 282.771 1.560 20 10 CDCDHM C[C@](CO)(NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000134384781 937543406 /nfs/dbraw/zinc/54/34/06/937543406.db2.gz BCYWSJZWZYIRAH-MRXNPFEDSA-N -1 3 287.315 1.735 20 10 CDCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@@](C)(CO)C1 ZINC001148212278 932667753 /nfs/dbraw/zinc/66/77/53/932667753.db2.gz VPSZWPZDJZWLJJ-OAHLLOKOSA-N -1 3 279.336 1.721 20 10 CDCDHM NC(=O)Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148219149 932670574 /nfs/dbraw/zinc/67/05/74/932670574.db2.gz UXSPDMNAVYRCRH-UHFFFAOYSA-N -1 3 286.287 1.378 20 10 CDCDHM O=C(NC1(c2cnccn2)CC1)c1cccc(O)c1[O-] ZINC001148224733 932671930 /nfs/dbraw/zinc/67/19/30/932671930.db2.gz UBRLCDQVACNGNE-UHFFFAOYSA-N -1 3 271.276 1.307 20 10 CDCDHM Cc1nocc1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148585913 932753084 /nfs/dbraw/zinc/75/30/84/932753084.db2.gz DPEFJVFPOKYRHS-UHFFFAOYSA-N -1 3 264.237 1.030 20 10 CDCDHM O=C(NCCC1CCC(O)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590593 932754434 /nfs/dbraw/zinc/75/44/34/932754434.db2.gz NAQZAJZOORURID-UHFFFAOYSA-N -1 3 295.335 1.474 20 10 CDCDHM C[C@@H]1C[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)CCO1 ZINC001148591348 932755022 /nfs/dbraw/zinc/75/50/22/932755022.db2.gz YHRGSJZKHRBFKI-VXNVDRBHSA-N -1 3 267.281 1.101 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2cnccn2)C1 ZINC001156803632 938419334 /nfs/dbraw/zinc/41/93/34/938419334.db2.gz ZKBVAXWJFZFDOK-SNVBAGLBSA-N -1 3 285.303 1.518 20 10 CDCDHM CO[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC001158622543 938642818 /nfs/dbraw/zinc/64/28/18/938642818.db2.gz QWJZIVBAVAJKFP-SKDRFNHKSA-N -1 3 265.309 1.595 20 10 CDCDHM CN1C[C@@H]2CN(Cc3cc(Cl)c([O-])cc3O)C[C@H](C1)O2 ZINC001276616625 940437623 /nfs/dbraw/zinc/43/76/23/940437623.db2.gz GOJUFUILDJQHAY-PHIMTYICSA-N -1 3 298.770 1.266 20 10 CDCDHM NC(=O)[C@H]1CCSC12CN(Cc1c([O-])cccc1F)C2 ZINC001277483972 942774129 /nfs/dbraw/zinc/77/41/29/942774129.db2.gz FROTYFCPCKSMNO-SNVBAGLBSA-N -1 3 296.367 1.324 20 10 CDCDHM C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455868 942898055 /nfs/dbraw/zinc/89/80/55/942898055.db2.gz VRHLMBXDRHOLNB-SKDRFNHKSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455868 942898056 /nfs/dbraw/zinc/89/80/56/942898056.db2.gz VRHLMBXDRHOLNB-SKDRFNHKSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561210 942928736 /nfs/dbraw/zinc/92/87/36/942928736.db2.gz PNSRASSPKZTZTA-CABZTGNLSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561210 942928737 /nfs/dbraw/zinc/92/87/37/942928737.db2.gz PNSRASSPKZTZTA-CABZTGNLSA-N -1 3 265.309 1.436 20 10 CDCDHM COc1cc([O-])c(CN2CCOC[C@@H](O)C2)cc1Cl ZINC001232264064 943195313 /nfs/dbraw/zinc/19/53/13/943195313.db2.gz DERRMQJDUYWKOK-JTQLQIEISA-N -1 3 287.743 1.247 20 10 CDCDHM COc1cc([O-])c(CN2CC(NC(C)=O)C2)cc1Cl ZINC001232269752 943196781 /nfs/dbraw/zinc/19/67/81/943196781.db2.gz JRVZOGLKMHIJCT-UHFFFAOYSA-N -1 3 284.743 1.375 20 10 CDCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H](CO)C1 ZINC001237814030 944962951 /nfs/dbraw/zinc/96/29/51/944962951.db2.gz OOPQCOBRAINTQT-MRVPVSSYSA-N -1 3 259.708 1.999 20 10 CDCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H](CO)[C@H](O)C1 ZINC001237933594 945006361 /nfs/dbraw/zinc/00/63/61/945006361.db2.gz DORMZNVDLNOWNF-AMIZOPFISA-N -1 3 289.734 1.360 20 10 CDCDHM CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001597102079 986725281 /nfs/dbraw/zinc/72/52/81/986725281.db2.gz MVLVPIBVELJFNM-RYUDHWBXSA-N -1 3 295.335 1.058 20 10 CDCDHM CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001597102079 986725287 /nfs/dbraw/zinc/72/52/87/986725287.db2.gz MVLVPIBVELJFNM-RYUDHWBXSA-N -1 3 295.335 1.058 20 10 CDCDHM COC1([C@H](C(=O)[O-])[N@H+](C)Cc2ccccc2[O-])CCC1 ZINC001599080724 996991757 /nfs/dbraw/zinc/99/17/57/996991757.db2.gz HLHMGDIXEQLVSQ-ZDUSSCGKSA-N -1 3 279.336 1.846 20 10 CDCDHM COC1([C@H](C(=O)[O-])[N@@H+](C)Cc2ccccc2[O-])CCC1 ZINC001599080724 996991767 /nfs/dbraw/zinc/99/17/67/996991767.db2.gz HLHMGDIXEQLVSQ-ZDUSSCGKSA-N -1 3 279.336 1.846 20 10 CDCDHM CCC[C@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605221138 1163492267 /nfs/dbraw/zinc/49/22/67/1163492267.db2.gz IKHAMXCTCXNKSB-ONGXEEELSA-N -1 3 267.325 1.902 20 10 CDCDHM CC(C)[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000180070407 357240825 /nfs/dbraw/zinc/24/08/25/357240825.db2.gz JUBUDINVEZWAEM-CYBMUJFWSA-N -1 3 266.316 1.488 20 10 CDCDHM CC[C@@]1(CO)CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000189248064 357987857 /nfs/dbraw/zinc/98/78/57/357987857.db2.gz ZEUGQMGGUKVWIF-HNNXBMFYSA-N -1 3 279.336 1.783 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCOC[C@@]12CCOC2 ZINC000195016126 358405136 /nfs/dbraw/zinc/40/51/36/358405136.db2.gz FEWRSQHUEKSVGQ-AWEZNQCLSA-N -1 3 267.300 1.523 20 10 CDCDHM COCCCNC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000111236045 359196945 /nfs/dbraw/zinc/19/69/45/359196945.db2.gz YQZGAGYJZYJTPA-GFCCVEGCSA-N -1 3 280.368 1.365 20 10 CDCDHM COC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000093528635 360299417 /nfs/dbraw/zinc/29/94/17/360299417.db2.gz SHTVEFLQYSCSNI-LBPRGKRZSA-N -1 3 271.744 1.893 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)CO[C@@H]2CCOC2)c([O-])c1O ZINC000272719850 365364595 /nfs/dbraw/zinc/36/45/95/365364595.db2.gz HBYOQHCKZYUEFR-WDEREUQCSA-N -1 3 295.335 1.330 20 10 CDCDHM COc1cc(Cl)cc([C@H]2NC(=O)CN2C)c1[O-] ZINC000273456399 365496864 /nfs/dbraw/zinc/49/68/64/365496864.db2.gz DQYSCYXVGUYJAH-NSHDSACASA-N -1 3 256.689 1.114 20 10 CDCDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000273526909 365504186 /nfs/dbraw/zinc/50/41/86/365504186.db2.gz VKPHFRXHCYTQDC-NOZJJQNGSA-N -1 3 279.315 1.649 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2[C@@H](CO)CC[C@@H]2CO)c1[O-] ZINC000287238774 369133924 /nfs/dbraw/zinc/13/39/24/369133924.db2.gz GIDJNIHBCAEJIP-CHWSQXEVSA-N -1 3 297.326 1.052 20 10 CDCDHM CCC[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000296165182 371638672 /nfs/dbraw/zinc/63/86/72/371638672.db2.gz SVLGOFINSNKPQJ-SNVBAGLBSA-N -1 3 267.325 1.951 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H](n3cccn3)C2)c([O-])c1O ZINC000298271719 372074390 /nfs/dbraw/zinc/07/43/90/372074390.db2.gz NUZOZMLWMKBAAB-LLVKDONJSA-N -1 3 287.319 1.690 20 10 CDCDHM C[C@H](NCc1ncn(C)n1)c1cc(F)ccc1[O-] ZINC000186214777 262084651 /nfs/dbraw/zinc/08/46/51/262084651.db2.gz UPPHWWADGWCSTJ-QMMMGPOBSA-N -1 3 250.277 1.511 20 10 CDCDHM CC(C)N1CC[C@@H](N(C)Cc2ccccc2[O-])C1=O ZINC000177676355 391173872 /nfs/dbraw/zinc/17/38/72/391173872.db2.gz HESDZLJCVUHNKU-CYBMUJFWSA-N -1 3 262.353 1.833 20 10 CDCDHM C[C@H](NCc1cccc(Cl)c1[O-])C(=O)NCCF ZINC000281919979 391426542 /nfs/dbraw/zinc/42/65/42/391426542.db2.gz ACSMAOFCPOQNHY-QMMMGPOBSA-N -1 3 274.723 1.609 20 10 CDCDHM Cc1nnc(NC(=O)c2cccc(O)c2[O-])n1C1CC1 ZINC000285687501 391497878 /nfs/dbraw/zinc/49/78/78/391497878.db2.gz AERSSOROFNINRP-UHFFFAOYSA-N -1 3 274.280 1.585 20 10 CDCDHM COC[C@@H]1CCCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000370501391 267325258 /nfs/dbraw/zinc/32/52/58/267325258.db2.gz WXSWYFZZMXGGOY-LLVKDONJSA-N -1 3 279.336 1.987 20 10 CDCDHM CCC[C@@H](CNC(=O)c1cccc(O)c1[O-])OC ZINC000293740806 326901218 /nfs/dbraw/zinc/90/12/18/326901218.db2.gz SFIMPCQOYMXDOV-VIFPVBQESA-N -1 3 253.298 1.643 20 10 CDCDHM CCn1nncc1CNCc1c([O-])cccc1Cl ZINC000527729389 330277912 /nfs/dbraw/zinc/27/79/12/330277912.db2.gz VSCSUTYWFBLMTE-UHFFFAOYSA-N -1 3 266.732 1.947 20 10 CDCDHM COCCN(CCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000135834942 334139460 /nfs/dbraw/zinc/13/94/60/334139460.db2.gz SOOVBSSAEPMQAG-UHFFFAOYSA-N -1 3 285.315 1.175 20 10 CDCDHM CCOCCOCCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000276275259 519991719 /nfs/dbraw/zinc/99/17/19/519991719.db2.gz UQBCXTUQXUCQHP-UHFFFAOYSA-N -1 3 297.351 1.531 20 10 CDCDHM COc1c([O-])c(CN(C)C[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000289768790 521871365 /nfs/dbraw/zinc/87/13/65/521871365.db2.gz RFSWTEPUAFYVIP-SECBINFHSA-N -1 3 284.312 1.776 20 10 CDCDHM CCOC(=O)N1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000771742924 575607165 /nfs/dbraw/zinc/60/71/65/575607165.db2.gz GYNCHYJQSHLVFD-MRVPVSSYSA-N -1 3 284.337 1.414 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)C(=O)NCc1ccco1 ZINC000731870976 575067108 /nfs/dbraw/zinc/06/71/08/575067108.db2.gz BILSHVDSEYWXSK-MRVPVSSYSA-N -1 3 294.332 1.481 20 10 CDCDHM CC(=O)N(C)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732277914 575086029 /nfs/dbraw/zinc/08/60/29/575086029.db2.gz VOYMJBODAKPUBZ-UHFFFAOYSA-N -1 3 282.365 1.537 20 10 CDCDHM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000732285206 575087026 /nfs/dbraw/zinc/08/70/26/575087026.db2.gz WRYTZYZVUGNXNR-SSDOTTSWSA-N -1 3 265.338 1.987 20 10 CDCDHM CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cc([O-])cs1 ZINC000732285875 575087034 /nfs/dbraw/zinc/08/70/34/575087034.db2.gz OCRBUUYODPQVPH-SNVBAGLBSA-N -1 3 268.338 1.050 20 10 CDCDHM COCCc1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000732353087 575088175 /nfs/dbraw/zinc/08/81/75/575088175.db2.gz LPZFCAUATHRJOY-UHFFFAOYSA-N -1 3 284.293 1.383 20 10 CDCDHM CC(C)(C)[S@](=O)CCNC(=O)c1cc([O-])cs1 ZINC000732830417 575097596 /nfs/dbraw/zinc/09/75/96/575097596.db2.gz IZGBVPFHQXHZHW-QGZVFWFLSA-N -1 3 275.395 1.731 20 10 CDCDHM O=C(N[C@H](CCO)c1ccco1)c1cc([O-])cs1 ZINC000769653237 575367763 /nfs/dbraw/zinc/36/77/63/575367763.db2.gz KWKIGHDEBVJYGQ-SECBINFHSA-N -1 3 267.306 1.900 20 10 CDCDHM Cn1cnnc1[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000768547630 576295490 /nfs/dbraw/zinc/29/54/90/576295490.db2.gz VQAOFLKXSDDGHA-VIFPVBQESA-N -1 3 278.337 1.560 20 10 CDCDHM Cc1ccc([C@H](C)NCc2nnnn2C2CC2)c([O-])c1 ZINC000756734163 577002029 /nfs/dbraw/zinc/00/20/29/577002029.db2.gz VDZJIOIEZIECDE-JTQLQIEISA-N -1 3 273.340 1.873 20 10 CDCDHM O=C(NCC1CCS(=O)(=O)CC1)c1cc([O-])cs1 ZINC000756810905 577005972 /nfs/dbraw/zinc/00/59/72/577005972.db2.gz UCJSIPNXOQRSDC-UHFFFAOYSA-N -1 3 289.378 1.008 20 10 CDCDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([O-])cs1 ZINC000758348393 577100610 /nfs/dbraw/zinc/10/06/10/577100610.db2.gz VAOZMPPSJIPGOV-GZMMTYOYSA-N -1 3 266.366 1.666 20 10 CDCDHM CN1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760743 617321340 /nfs/dbraw/zinc/32/13/40/617321340.db2.gz YJWAXIOGGDDNRL-LLVKDONJSA-N -1 3 268.744 1.756 20 10 CDCDHM C[C@H]([NH2+]CCC(=O)NCCC(=O)[O-])c1cc(F)ccc1[O-] ZINC001604337094 1163156222 /nfs/dbraw/zinc/15/62/22/1163156222.db2.gz CTBLOUMBVPATOO-VIFPVBQESA-N -1 3 298.314 1.163 20 10 CDCDHM COCCCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605088793 1163449051 /nfs/dbraw/zinc/44/90/51/1163449051.db2.gz XZTMEXJTVXGCNQ-JTQLQIEISA-N -1 3 291.355 1.650 20 10 CDCDHM C[C@@H]1CSC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000397944999 736450577 /nfs/dbraw/zinc/45/05/77/736450577.db2.gz SHAWOOHVMQAYJQ-APPZFPTMSA-N -1 3 253.323 1.579 20 10 CDCDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])C(=O)NCCF ZINC000883112526 736452931 /nfs/dbraw/zinc/45/29/31/736452931.db2.gz OYTOTLFXZJSUSE-SSDOTTSWSA-N -1 3 276.258 1.234 20 10 CDCDHM COCc1nnc(C[NH2+][C@H](C)c2c([O-])cccc2F)[n-]1 ZINC000886636342 736604048 /nfs/dbraw/zinc/60/40/48/736604048.db2.gz LTBBKQIIKYOITC-MRVPVSSYSA-N -1 3 280.303 1.647 20 10 CDCDHM C[C@](O)(CNC(=O)c1cccc(O)c1[O-])c1ccsc1 ZINC000185769666 736776502 /nfs/dbraw/zinc/77/65/02/736776502.db2.gz CXEXEAFYSWLLEP-AWEZNQCLSA-N -1 3 293.344 1.797 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCN([C@H]2CCOC2)CC1 ZINC000827120248 736787294 /nfs/dbraw/zinc/78/72/94/736787294.db2.gz QQWAQNJKKWSDIJ-LBPRGKRZSA-N -1 3 296.798 1.952 20 10 CDCDHM CCN1CC(=O)N[C@H]1c1cc(Cl)c(C)cc1[O-] ZINC000849182512 736922805 /nfs/dbraw/zinc/92/28/05/736922805.db2.gz JJYBSGFLAZIZPO-GFCCVEGCSA-N -1 3 254.717 1.804 20 10 CDCDHM Cc1ccc(C(=O)Nc2cccn(C)c2=O)c([O-])c1O ZINC000177685553 737467719 /nfs/dbraw/zinc/46/77/19/737467719.db2.gz UYPDEULBDHCKJG-UHFFFAOYSA-N -1 3 274.276 1.357 20 10 CDCDHM O=C(NCC1(c2ccccn2)CC1)c1cccc(O)c1[O-] ZINC000802576546 738509641 /nfs/dbraw/zinc/50/96/41/738509641.db2.gz VKPSJLPEFUSGTH-UHFFFAOYSA-N -1 3 284.315 1.954 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ncon1 ZINC000848113762 738678710 /nfs/dbraw/zinc/67/87/10/738678710.db2.gz LUEWKFTUMYBRTE-VIFPVBQESA-N -1 3 275.264 1.458 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](CO)c2ccccc21 ZINC000817782760 739063856 /nfs/dbraw/zinc/06/38/56/739063856.db2.gz NSQCVRFVDYPHNP-JTQLQIEISA-N -1 3 285.299 1.834 20 10 CDCDHM Cc1ccnc(NCc2ccccc2O)c1-c1nnn[n-]1 ZINC000826314344 736860309 /nfs/dbraw/zinc/86/03/09/736860309.db2.gz RXAGRLXFKHCBLJ-UHFFFAOYSA-N -1 3 282.307 1.888 20 10 CDCDHM Cc1ccnc(NCc2ccccc2O)c1-c1nn[n-]n1 ZINC000826314344 736860317 /nfs/dbraw/zinc/86/03/17/736860317.db2.gz RXAGRLXFKHCBLJ-UHFFFAOYSA-N -1 3 282.307 1.888 20 10 CDCDHM O=C(N[C@H]1CC[C@H](CO)CC1)c1cccc(O)c1[O-] ZINC000193142992 737308919 /nfs/dbraw/zinc/30/89/19/737308919.db2.gz QRHHUHLEVIWZNK-AOOOYVTPSA-N -1 3 265.309 1.379 20 10 CDCDHM CCON(CC)C(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000883186609 737736692 /nfs/dbraw/zinc/73/66/92/737736692.db2.gz VPMAHTNZXSGJNM-UHFFFAOYSA-N -1 3 288.294 1.560 20 10 CDCDHM CCN(C)C(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000708445588 739194245 /nfs/dbraw/zinc/19/42/45/739194245.db2.gz VDOBDMSOBVWZTB-UHFFFAOYSA-N -1 3 258.268 1.238 20 10 CDCDHM O=C1CC[C@@H]2CN(Cc3ccc(Cl)cc3[O-])CCN12 ZINC001140464716 896203167 /nfs/dbraw/zinc/20/31/67/896203167.db2.gz AMXYQCKZJWGQFX-GFCCVEGCSA-N -1 3 280.755 1.852 20 10 CDCDHM C[C@]1(CO)CCN(Cc2c([O-])cc(F)cc2F)C[C@@H]1O ZINC001140583158 896966412 /nfs/dbraw/zinc/96/64/12/896966412.db2.gz XKAFKRJSAIWFGM-UONOGXRCSA-N -1 3 287.306 1.236 20 10 CDCDHM CN(C)C(=O)N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1 ZINC001137841877 936420264 /nfs/dbraw/zinc/42/02/64/936420264.db2.gz YQENVFGTCPSPMJ-LLVKDONJSA-N -1 3 295.358 1.767 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140058401 936675040 /nfs/dbraw/zinc/67/50/40/936675040.db2.gz YIUGHAMYAVMWDW-STQMWFEESA-N -1 3 275.270 1.776 20 10 CDCDHM CN(C)C(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461067 936711815 /nfs/dbraw/zinc/71/18/15/936711815.db2.gz DEGAFQUGFGIOOG-UHFFFAOYSA-N -1 3 297.786 1.845 20 10 CDCDHM C[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C[C@@H]1O ZINC001140583090 936727724 /nfs/dbraw/zinc/72/77/24/936727724.db2.gz VZCSCUGKCLXTAC-OQPBUACISA-N -1 3 257.280 1.873 20 10 CDCDHM C[C@H]1N(C(=O)c2cccc(O)c2[O-])CCOC1(C)C ZINC000707348330 923154424 /nfs/dbraw/zinc/15/44/24/923154424.db2.gz PINGILRZGGXYOH-SECBINFHSA-N -1 3 265.309 1.737 20 10 CDCDHM C[C@]1(NC(=O)c2cccc(O)c2[O-])CCO[C@H]1C1CC1 ZINC001154079686 937501319 /nfs/dbraw/zinc/50/13/19/937501319.db2.gz SHJACGBXMUALEA-ZFWWWQNUSA-N -1 3 277.320 1.785 20 10 CDCDHM [O-]c1c(F)cccc1CN1CC(N2CC[C@H](F)C2)C1 ZINC001138128492 932458656 /nfs/dbraw/zinc/45/86/56/932458656.db2.gz NRTZIZFXHCARCJ-NSHDSACASA-N -1 3 268.307 1.759 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(F)(F)CC[C@@H]1CO ZINC001148211941 932666083 /nfs/dbraw/zinc/66/60/83/932666083.db2.gz DMCZSPGTNAXBQK-MRVPVSSYSA-N -1 3 287.262 1.330 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001148218859 932670683 /nfs/dbraw/zinc/67/06/83/932670683.db2.gz OCNUXTLJCUPGCE-SNVBAGLBSA-N -1 3 293.319 1.465 20 10 CDCDHM CCOc1cccc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC001148223999 932671342 /nfs/dbraw/zinc/67/13/42/932671342.db2.gz AYXIGFJINLLDLN-UHFFFAOYSA-N -1 3 288.303 1.822 20 10 CDCDHM O=C(CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC001148224472 932671949 /nfs/dbraw/zinc/67/19/49/932671949.db2.gz MPQFGYHLYBMOAN-UHFFFAOYSA-N -1 3 285.299 1.639 20 10 CDCDHM Cc1cnc(C)c(NC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148581771 932750908 /nfs/dbraw/zinc/75/09/08/932750908.db2.gz VRVBZGQKBHZIRC-UHFFFAOYSA-N -1 3 275.264 1.463 20 10 CDCDHM O=C(Nc1cccnc1F)c1cc(O)c([O-])c(O)c1 ZINC001148580602 932751057 /nfs/dbraw/zinc/75/10/57/932751057.db2.gz IUZDTAHFOCOHSZ-UHFFFAOYSA-N -1 3 264.212 1.590 20 10 CDCDHM O=C(NCc1cc2ccncc2[nH]1)c1cc(O)c([O-])c(O)c1 ZINC001148590113 932754332 /nfs/dbraw/zinc/75/43/32/932754332.db2.gz BQWWSVISQJTRPU-UHFFFAOYSA-N -1 3 299.286 1.610 20 10 CDCDHM C[C@@H]1CO[C@@H](CO)CN1Cc1cc(F)ccc1[O-] ZINC000779034164 934359924 /nfs/dbraw/zinc/35/99/24/934359924.db2.gz PLBNUSKYTILRCJ-BXKDBHETSA-N -1 3 255.289 1.113 20 10 CDCDHM C[C@@H](O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000688865413 934740333 /nfs/dbraw/zinc/74/03/33/934740333.db2.gz XOGTVUVSXPHYLC-NXEZZACHSA-N -1 3 265.309 1.331 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)[C@@H](O)c1cccnc1 ZINC001156170586 938327832 /nfs/dbraw/zinc/32/78/32/938327832.db2.gz QNIDKNOTZWJOJK-ZDUSSCGKSA-N -1 3 276.267 1.276 20 10 CDCDHM O=C(c1ccc(O)c([O-])c1Cl)N1CCNC2(CC2)C1 ZINC001161556567 938911806 /nfs/dbraw/zinc/91/18/06/938911806.db2.gz RWJOVIZZXANXPW-UHFFFAOYSA-N -1 3 282.727 1.329 20 10 CDCDHM O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cccc(O)c1[O-] ZINC001161646941 938916965 /nfs/dbraw/zinc/91/69/65/938916965.db2.gz WGRHBIYSFWTIQL-KCJUWKMLSA-N -1 3 287.262 1.376 20 10 CDCDHM O=C([O-])c1ccc(C[NH+]2CCC(CO)CC2)c([O-])c1 ZINC001231449260 942893313 /nfs/dbraw/zinc/89/33/13/942893313.db2.gz HTXFNBHZXDRSLH-UHFFFAOYSA-N -1 3 265.309 1.295 20 10 CDCDHM CSCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455110 942899497 /nfs/dbraw/zinc/89/94/97/942899497.db2.gz WWISQLJJZBZZJP-UHFFFAOYSA-N -1 3 255.339 1.885 20 10 CDCDHM CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455732 942898870 /nfs/dbraw/zinc/89/88/70/942898870.db2.gz UUWSUIFWSKJUOO-CYBMUJFWSA-N -1 3 279.336 1.826 20 10 CDCDHM CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455732 942898874 /nfs/dbraw/zinc/89/88/74/942898874.db2.gz UUWSUIFWSKJUOO-CYBMUJFWSA-N -1 3 279.336 1.826 20 10 CDCDHM CSCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455110 942899489 /nfs/dbraw/zinc/89/94/89/942899489.db2.gz WWISQLJJZBZZJP-UHFFFAOYSA-N -1 3 255.339 1.885 20 10 CDCDHM CO[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)C[C@@H]1F ZINC001232259225 943192007 /nfs/dbraw/zinc/19/20/07/943192007.db2.gz HJIZXUVPPVRYQO-JOYOIKCWSA-N -1 3 275.707 1.920 20 10 CDCDHM [O-]c1cc(O)c(CN2CC[C@](F)(CO)C2)cc1Cl ZINC001232260456 943192131 /nfs/dbraw/zinc/19/21/31/943192131.db2.gz QPMCVNBTXFEHRZ-GFCCVEGCSA-N -1 3 275.707 1.658 20 10 CDCDHM O=C(Nc1ccccc1O)c1cc(O)c([O-])c(O)c1 ZINC000586731172 943904169 /nfs/dbraw/zinc/90/41/69/943904169.db2.gz LLKLWFYSUPFWLE-UHFFFAOYSA-N -1 3 261.233 1.761 20 10 CDCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H](CO)[C@H](O)C1 ZINC001237076935 944651934 /nfs/dbraw/zinc/65/19/34/944651934.db2.gz AWSRWLDSGDUJJD-RDDDGLTNSA-N -1 3 292.162 1.484 20 10 CDCDHM CN(C)C(=O)CN(C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237936387 945010276 /nfs/dbraw/zinc/01/02/76/945010276.db2.gz JEIOJGPEMAONAV-UHFFFAOYSA-N -1 3 274.723 1.705 20 10 CDCDHM COC[C@]1(C(=O)[O-])CN(Cc2c(C)cccc2O)CCO1 ZINC001593986457 956792597 /nfs/dbraw/zinc/79/25/97/956792597.db2.gz XJIWWBIONVRKPX-HNNXBMFYSA-N -1 3 295.335 1.003 20 10 CDCDHM C[C@H]([NH2+]CC(C)(C)O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240894 994432807 /nfs/dbraw/zinc/43/28/07/994432807.db2.gz TUKYINAOTBINST-QMMMGPOBSA-N -1 3 253.298 1.512 20 10 CDCDHM COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599157075 998391507 /nfs/dbraw/zinc/39/15/07/998391507.db2.gz VVYQQIGBAHBLLT-ZUZCIYMTSA-N -1 3 297.351 1.529 20 10 CDCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](CO)C2)c1[O-] ZINC000092763584 342418830 /nfs/dbraw/zinc/41/88/30/342418830.db2.gz ORKOFWYFCFTVJP-MRVPVSSYSA-N -1 3 286.715 1.768 20 10 CDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CO ZINC000283811405 263084258 /nfs/dbraw/zinc/08/42/58/263084258.db2.gz XJVCDNPZQMZLNV-UHFFFAOYSA-N -1 3 288.141 1.496 20 10 CDCDHM CC(C)C[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000187094579 357727371 /nfs/dbraw/zinc/72/73/71/357727371.db2.gz GFYNNCRHQHZHEU-LLVKDONJSA-N -1 3 279.336 1.985 20 10 CDCDHM CCC[C@@]1(NC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000287869110 359546397 /nfs/dbraw/zinc/54/63/97/359546397.db2.gz NHILRUPCHMKHLW-CQSZACIVSA-N -1 3 265.309 1.787 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)[C@H]2CCOC2)c1[O-] ZINC000135149848 361697260 /nfs/dbraw/zinc/69/72/60/361697260.db2.gz CGUNASALPADAIY-LBPRGKRZSA-N -1 3 267.300 1.955 20 10 CDCDHM COC(=O)[C@H](C)CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000267557096 363845933 /nfs/dbraw/zinc/84/59/33/363845933.db2.gz FKRYUXNJMBBMRF-SECBINFHSA-N -1 3 281.308 1.287 20 10 CDCDHM CN(C[C@H]1CCOC1)C(=O)c1cccc(O)c1[O-] ZINC000193127589 365146405 /nfs/dbraw/zinc/14/64/05/365146405.db2.gz LRTCSJDXDKBHMW-SECBINFHSA-N -1 3 251.282 1.206 20 10 CDCDHM CN(C)C[C@@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000272324506 365189392 /nfs/dbraw/zinc/18/93/92/365189392.db2.gz UYLRVNQUHVFSLE-GFCCVEGCSA-N -1 3 268.332 1.294 20 10 CDCDHM C[C@H](O)CN1CCN(Cc2cc(F)ccc2[O-])[C@@H](C)C1 ZINC000284278513 368510322 /nfs/dbraw/zinc/51/03/22/368510322.db2.gz HKNBGAHIQMJJRL-RYUDHWBXSA-N -1 3 282.359 1.418 20 10 CDCDHM COC(=O)c1cnoc1CN(C)Cc1ccccc1[O-] ZINC000285528810 368638999 /nfs/dbraw/zinc/63/89/99/368638999.db2.gz GVAZPNYIMXZNEL-UHFFFAOYSA-N -1 3 276.292 1.799 20 10 CDCDHM CCN1CCN(C(=O)c2ccc(C)c(O)c2[O-])[C@H](C)C1 ZINC000288510541 369460195 /nfs/dbraw/zinc/46/01/95/369460195.db2.gz QVIXLZXXZQYGEW-LLVKDONJSA-N -1 3 278.352 1.572 20 10 CDCDHM CS(=O)(=O)CC1CCN(Cc2ccccc2[O-])CC1 ZINC000292734621 378017263 /nfs/dbraw/zinc/01/72/63/378017263.db2.gz GSYHTXISSUIMTF-UHFFFAOYSA-N -1 3 283.393 1.649 20 10 CDCDHM COc1cc(Cl)cc(CN(CC(N)=O)C(C)C)c1[O-] ZINC000184673864 378460825 /nfs/dbraw/zinc/46/08/25/378460825.db2.gz YIGNAYZYWWNYJU-UHFFFAOYSA-N -1 3 286.759 1.750 20 10 CDCDHM CCCOc1ccc(CN2CCNC(=O)[C@@H]2CC)c([O-])c1 ZINC000093050454 390899397 /nfs/dbraw/zinc/89/93/97/390899397.db2.gz QQZPHOQLOBFVLX-AWEZNQCLSA-N -1 3 292.379 1.891 20 10 CDCDHM CC[C@@H](CSC)NC(=O)c1cccc(O)c1[O-] ZINC000126555301 390921101 /nfs/dbraw/zinc/92/11/01/390921101.db2.gz HTGXMYJMVJOZFN-QMMMGPOBSA-N -1 3 255.339 1.969 20 10 CDCDHM C[C@@H](O)C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000131651984 390929149 /nfs/dbraw/zinc/92/91/49/390929149.db2.gz XGMJEDSCVACEDZ-SNVBAGLBSA-N -1 3 298.770 1.071 20 10 CDCDHM COCC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCC1 ZINC000281951463 391433269 /nfs/dbraw/zinc/43/32/69/391433269.db2.gz CURVSBQDKDEPBG-UHFFFAOYSA-N -1 3 279.336 1.953 20 10 CDCDHM Cc1ccc(C(=O)N2CC([C@H]3CCOC3)C2)c([O-])c1O ZINC000366863822 225053855 /nfs/dbraw/zinc/05/38/55/225053855.db2.gz JXVMONIEGVPZQU-JTQLQIEISA-N -1 3 277.320 1.515 20 10 CDCDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(F)ccc1[O-] ZINC000180180131 261845524 /nfs/dbraw/zinc/84/55/24/261845524.db2.gz OMURDONDGLQQEI-UWVGGRQHSA-N -1 3 287.356 1.539 20 10 CDCDHM COc1cc(Cl)cc(CN2CCCC[C@H]2C(N)=O)c1[O-] ZINC000184674730 262026233 /nfs/dbraw/zinc/02/62/33/262026233.db2.gz QFXUGTYDFAKLKX-NSHDSACASA-N -1 3 298.770 1.894 20 10 CDCDHM CC(C)c1nncn1CCNC(=O)c1cccc(O)c1[O-] ZINC000185693658 327842761 /nfs/dbraw/zinc/84/27/61/327842761.db2.gz RZDWLXJFAJSMJE-UHFFFAOYSA-N -1 3 290.323 1.243 20 10 CDCDHM CCOC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000230003013 333312317 /nfs/dbraw/zinc/31/23/17/333312317.db2.gz KDTAFQKLWLKJEM-UHFFFAOYSA-N -1 3 294.307 1.012 20 10 CDCDHM CC(C)NC(=O)CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000062745918 519708442 /nfs/dbraw/zinc/70/84/42/519708442.db2.gz CIQHYHBVIOPWDM-VIFPVBQESA-N -1 3 254.305 1.707 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCOC1 ZINC000126568784 525230604 /nfs/dbraw/zinc/23/06/04/525230604.db2.gz LDAJDXXEWZQKKM-DTWKUNHWSA-N -1 3 251.282 1.253 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CCSC2)c([O-])c1O ZINC000279803865 526180779 /nfs/dbraw/zinc/18/07/79/526180779.db2.gz PNEIGLWQWLZNFS-SECBINFHSA-N -1 3 267.350 1.889 20 10 CDCDHM O=C(NC1CCN(C(=O)C2CC2)CC1)c1cc([O-])cs1 ZINC000731867010 575068408 /nfs/dbraw/zinc/06/84/08/575068408.db2.gz AEGIDNDUYCEVPG-UHFFFAOYSA-N -1 3 294.376 1.585 20 10 CDCDHM Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc([O-])cs1)C2 ZINC000732266984 575084717 /nfs/dbraw/zinc/08/47/17/575084717.db2.gz SIKLXJHSGMPNLG-SNVBAGLBSA-N -1 3 289.360 1.839 20 10 CDCDHM CCCC(=O)NC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732269569 575085135 /nfs/dbraw/zinc/08/51/35/575085135.db2.gz FMAXQBSGWFJZBX-UHFFFAOYSA-N -1 3 296.392 1.975 20 10 CDCDHM O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1cc([O-])cs1 ZINC000763199000 576720956 /nfs/dbraw/zinc/72/09/56/576720956.db2.gz SYFVFKJJHGXLHD-QMMMGPOBSA-N -1 3 268.290 1.706 20 10 CDCDHM COC(=O)[C@H](NC(=O)c1cc([O-])cs1)C(C)C ZINC000735518589 575482324 /nfs/dbraw/zinc/48/23/24/575482324.db2.gz VLAWUTWXQBJKGP-SECBINFHSA-N -1 3 257.311 1.381 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](CCO)C1 ZINC000765227536 576000044 /nfs/dbraw/zinc/00/00/44/576000044.db2.gz BLNVDYDDVXSTGG-SECBINFHSA-N -1 3 255.339 1.688 20 10 CDCDHM CCOc1ccc(CN(C)CCS(C)(=O)=O)c([O-])c1 ZINC000768368077 576275759 /nfs/dbraw/zinc/27/57/59/576275759.db2.gz WMCCDBGKOYIEKW-UHFFFAOYSA-N -1 3 287.381 1.267 20 10 CDCDHM CC[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1OC ZINC000769320119 576345260 /nfs/dbraw/zinc/34/52/60/576345260.db2.gz IFYLLHWOHXEDET-LLVKDONJSA-N -1 3 264.325 1.111 20 10 CDCDHM CCOc1ccc(CN2CCNC(=O)[C@H]2C(C)C)c([O-])c1 ZINC000769326826 576345959 /nfs/dbraw/zinc/34/59/59/576345959.db2.gz HUKUIBPUTHTDGQ-OAHLLOKOSA-N -1 3 292.379 1.747 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](CO)C1 ZINC000769395503 576351660 /nfs/dbraw/zinc/35/16/60/576351660.db2.gz IGDMKIMAWCLTOG-NSHDSACASA-N -1 3 257.717 1.239 20 10 CDCDHM CS(=O)(=O)CCCCOC(=O)c1cc([O-])cs1 ZINC000759892240 576441285 /nfs/dbraw/zinc/44/12/85/576441285.db2.gz CUFFECGZKNZHOC-UHFFFAOYSA-N -1 3 278.351 1.435 20 10 CDCDHM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000760151551 576459452 /nfs/dbraw/zinc/45/94/52/576459452.db2.gz DZHGELACFBIVPN-MRVPVSSYSA-N -1 3 271.338 1.866 20 10 CDCDHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000758348399 577100722 /nfs/dbraw/zinc/10/07/22/577100722.db2.gz VAOZMPPSJIPGOV-KWQFWETISA-N -1 3 266.366 1.666 20 10 CDCDHM O=C([O-])[C@]1(F)CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000833174210 601371888 /nfs/dbraw/zinc/37/18/88/601371888.db2.gz CLALRJMSKCILRL-HNNXBMFYSA-N -1 3 279.311 1.880 20 10 CDCDHM CCCN(CC(N)=O)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000814177837 618701479 /nfs/dbraw/zinc/70/14/79/618701479.db2.gz QPNWGHUMFBLWLV-UHFFFAOYSA-N -1 3 297.311 1.006 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@@H]1O ZINC000894497754 618918053 /nfs/dbraw/zinc/91/80/53/618918053.db2.gz PXGURUNVHIQPHX-UFBFGSQYSA-N -1 3 257.280 1.873 20 10 CDCDHM CC[C@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)N(C)C ZINC000911487301 629301137 /nfs/dbraw/zinc/30/11/37/629301137.db2.gz COOPIEPXODPRBE-GFCCVEGCSA-N -1 3 294.351 1.146 20 10 CDCDHM C[C@H](C(=O)[O-])N(C)Cc1cc(F)c(N(C)C)cc1F ZINC001607451539 1164187070 /nfs/dbraw/zinc/18/70/70/1164187070.db2.gz VOOYUBCWXCDATO-MRVPVSSYSA-N -1 3 272.295 1.936 20 10 CDCDHM C[C@H]([NH2+]CCC1(C)OCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609775235 1165075798 /nfs/dbraw/zinc/07/57/98/1165075798.db2.gz CDRRLMYUNFLTMH-JTQLQIEISA-N -1 3 295.335 1.894 20 10 CDCDHM Nc1ccc(CC(=O)N2CCCc3c(=O)[n-]cnc32)cc1 ZINC001580442733 1172437893 /nfs/dbraw/zinc/43/78/93/1172437893.db2.gz HBNFYDCPMFKZHW-UHFFFAOYSA-N -1 3 284.319 1.286 20 10 CDCDHM C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)ccc1[O-] ZINC000093384592 740380220 /nfs/dbraw/zinc/38/02/20/740380220.db2.gz RBPUCJYOKMSOIE-VIFPVBQESA-N -1 3 291.800 1.911 20 10 CDCDHM C[C@@H](C[S@@](C)=O)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000708422247 740995239 /nfs/dbraw/zinc/99/52/39/740995239.db2.gz LACSQRXJUBJOQT-DCXZOGHSSA-N -1 3 277.336 1.869 20 10 CDCDHM C[C@@H](NCc1cncn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000289682755 739739168 /nfs/dbraw/zinc/73/91/68/739739168.db2.gz HTUZJJIAKOUYGJ-SECBINFHSA-N -1 3 276.296 1.885 20 10 CDCDHM Cc1ncc(CNC(=O)c2cccc(O)c2[O-])s1 ZINC000126315860 740105310 /nfs/dbraw/zinc/10/53/10/740105310.db2.gz HVWLSCOVKFZDLX-UHFFFAOYSA-N -1 3 264.306 1.793 20 10 CDCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CCN1 ZINC000816481337 740120187 /nfs/dbraw/zinc/12/01/87/740120187.db2.gz RDPOQASJNZEUFE-UHFFFAOYSA-N -1 3 256.305 1.477 20 10 CDCDHM CCNC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000121579018 740125359 /nfs/dbraw/zinc/12/53/59/740125359.db2.gz GSYVCNZFVJTLMO-UHFFFAOYSA-N -1 3 297.786 1.893 20 10 CDCDHM C[C@H]([NH2+]CCCn1cncn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609776392 1165075737 /nfs/dbraw/zinc/07/57/37/1165075737.db2.gz APMZSMMOOUAULO-JTQLQIEISA-N -1 3 290.323 1.423 20 10 CDCDHM C[C@H]1COCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000804616880 740388263 /nfs/dbraw/zinc/38/82/63/740388263.db2.gz DDMFVYMDKHFRHD-VHSXEESVSA-N -1 3 265.309 1.500 20 10 CDCDHM Cc1nc(C)n(C2CN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000820052501 740607312 /nfs/dbraw/zinc/60/73/12/740607312.db2.gz AUUDUDLMIIQRBV-UHFFFAOYSA-N -1 3 288.307 1.003 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCSC[C@H]2CO)c1[O-] ZINC000388399945 740618611 /nfs/dbraw/zinc/61/86/11/740618611.db2.gz VCNKBJLXRLVMEH-GFCCVEGCSA-N -1 3 299.367 1.644 20 10 CDCDHM CN(CC(=O)NC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000120336984 741517500 /nfs/dbraw/zinc/51/75/00/741517500.db2.gz AFNPEPINOMKIRH-UHFFFAOYSA-N -1 3 268.744 1.756 20 10 CDCDHM COC[C@H]1C[C@@H](O)CN1Cc1c([O-])ccc(Cl)c1F ZINC000846053829 742689639 /nfs/dbraw/zinc/68/96/39/742689639.db2.gz YVCFRXAYVXSQKU-RKDXNWHRSA-N -1 3 289.734 1.766 20 10 CDCDHM NCC(F)(F)CNCc1cc(Br)ccc1[O-] ZINC000841060144 742724001 /nfs/dbraw/zinc/72/40/01/742724001.db2.gz QFHAZOUUATTZKD-UHFFFAOYSA-N -1 3 295.127 1.838 20 10 CDCDHM COc1cccc(CNCc2ccoc2C(=O)[O-])c1O ZINC001610357351 1165293875 /nfs/dbraw/zinc/29/38/75/1165293875.db2.gz GUQRUDRMMKQRPL-UHFFFAOYSA-N -1 3 277.276 1.982 20 10 CDCDHM C[C@H]([NH2+]CCC(C)(C)O)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339407 1167855237 /nfs/dbraw/zinc/85/52/37/1167855237.db2.gz XWKGZEFCEQOHIH-VIFPVBQESA-N -1 3 267.325 1.902 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(F)(F)CC1 ZINC000404826477 897443229 /nfs/dbraw/zinc/44/32/29/897443229.db2.gz VNVJRXWQOYDZSS-UHFFFAOYSA-N -1 3 257.236 1.969 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1C[C@H](F)C[C@H]1CO ZINC001140461829 936712375 /nfs/dbraw/zinc/71/23/75/936712375.db2.gz URKPNXJIUKKDMA-MNOVXSKESA-N -1 3 259.708 1.950 20 10 CDCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1CO ZINC000700389430 922219397 /nfs/dbraw/zinc/21/93/97/922219397.db2.gz IIBALSNIFXMZHQ-ZJUUUORDSA-N -1 3 265.309 1.188 20 10 CDCDHM CN(CC(N)=O)Cc1ccc(Br)cc1[O-] ZINC000691732420 925640423 /nfs/dbraw/zinc/64/04/23/925640423.db2.gz HBKQNRFZARDXKR-UHFFFAOYSA-N -1 3 273.130 1.072 20 10 CDCDHM Cc1c[nH]c(CNC(=O)c2cccc(O)c2[O-])c(C)c1=O ZINC001157324843 929492819 /nfs/dbraw/zinc/49/28/19/929492819.db2.gz FNBXMRIVWJYFKS-UHFFFAOYSA-N -1 3 288.303 1.333 20 10 CDCDHM O=C(Nc1noc2cnccc21)c1cccc(O)c1[O-] ZINC001148211893 932666719 /nfs/dbraw/zinc/66/67/19/932666719.db2.gz BHAFDASHQIGMAL-UHFFFAOYSA-N -1 3 271.232 1.886 20 10 CDCDHM COCn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001148212067 932668671 /nfs/dbraw/zinc/66/86/71/932668671.db2.gz KKOFOBBOMRNZEE-UHFFFAOYSA-N -1 3 263.253 1.151 20 10 CDCDHM O=C(Nc1ccc(-n2ccnn2)cc1)c1cccc(O)c1[O-] ZINC001148218638 932670886 /nfs/dbraw/zinc/67/08/86/932670886.db2.gz JEOFCVWYOODLIL-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM O=C(NC[C@@H]1C(=O)Nc2ccccc21)c1cccc(O)c1[O-] ZINC001148225241 932673165 /nfs/dbraw/zinc/67/31/65/932673165.db2.gz HGKAURITFUINPR-NSHDSACASA-N -1 3 298.298 1.564 20 10 CDCDHM O=C(Nc1ncnc2[nH]ccc21)c1cc(O)c([O-])c(O)c1 ZINC001148581730 932751617 /nfs/dbraw/zinc/75/16/17/932751617.db2.gz TXFYCJJBBCJANL-UHFFFAOYSA-N -1 3 286.247 1.327 20 10 CDCDHM Cn1cnc2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc21 ZINC001148588580 932753359 /nfs/dbraw/zinc/75/33/59/932753359.db2.gz VPZNPNSARGIQNK-UHFFFAOYSA-N -1 3 299.286 1.942 20 10 CDCDHM O=C(NCc1cccc2n[nH]cc21)c1cc(O)c([O-])c(O)c1 ZINC001148589857 932754343 /nfs/dbraw/zinc/75/43/43/932754343.db2.gz NVPREKJIBOAYBV-UHFFFAOYSA-N -1 3 299.286 1.610 20 10 CDCDHM C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ncc(F)cn1 ZINC001148589931 932755135 /nfs/dbraw/zinc/75/51/35/932755135.db2.gz REAJMPCWSUAVSW-ZCFIWIBFSA-N -1 3 293.254 1.224 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)[C@@H](O)c1ccccn1 ZINC001156170067 938327646 /nfs/dbraw/zinc/32/76/46/938327646.db2.gz FBRSLHGJBOSQGR-ZDUSSCGKSA-N -1 3 276.267 1.276 20 10 CDCDHM Cc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC001160782347 938826930 /nfs/dbraw/zinc/82/69/30/938826930.db2.gz JVDUVSORLKJXJZ-UHFFFAOYSA-N -1 3 265.244 1.198 20 10 CDCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccccn2)no1 ZINC001215327839 940873996 /nfs/dbraw/zinc/87/39/96/940873996.db2.gz WJTMSTJYDYMADN-UHFFFAOYSA-N -1 3 271.232 1.915 20 10 CDCDHM C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560471 942926761 /nfs/dbraw/zinc/92/67/61/942926761.db2.gz IZZUNNXGXLTZNJ-MNOVXSKESA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560471 942926763 /nfs/dbraw/zinc/92/67/63/942926763.db2.gz IZZUNNXGXLTZNJ-MNOVXSKESA-N -1 3 279.336 1.683 20 10 CDCDHM CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC(C)(C)O ZINC001231565575 942930152 /nfs/dbraw/zinc/93/01/52/942930152.db2.gz GYOZFPDBPOYTCM-UHFFFAOYSA-N -1 3 267.325 1.683 20 10 CDCDHM CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC(C)(C)O ZINC001231565575 942930158 /nfs/dbraw/zinc/93/01/58/942930158.db2.gz GYOZFPDBPOYTCM-UHFFFAOYSA-N -1 3 267.325 1.683 20 10 CDCDHM COc1cc([O-])c(CN2CCN(C)C(=O)C2)cc1Cl ZINC001232264033 943195071 /nfs/dbraw/zinc/19/50/71/943195071.db2.gz GCDZUVNUYMBYTQ-UHFFFAOYSA-N -1 3 284.743 1.328 20 10 CDCDHM CCOc1ccc(C[NH2+][C@H](CC(F)F)C(=O)[O-])c([O-])c1 ZINC001597100987 986711726 /nfs/dbraw/zinc/71/17/26/986711726.db2.gz MATKBRUXYGJZHD-SNVBAGLBSA-N -1 3 289.278 1.989 20 10 CDCDHM C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286496 994645992 /nfs/dbraw/zinc/64/59/92/994645992.db2.gz UMSCEIOHSXBQHJ-KKZNHRDASA-N -1 3 265.309 1.512 20 10 CDCDHM Cn1cnnc1[C@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000180227808 357253320 /nfs/dbraw/zinc/25/33/20/357253320.db2.gz QHLRBFSPNFCUBF-GFCCVEGCSA-N -1 3 276.315 1.997 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](n2cncn2)C1 ZINC000187076736 357724690 /nfs/dbraw/zinc/72/46/90/357724690.db2.gz PJUBIQKCNQIFKM-SNVBAGLBSA-N -1 3 288.307 1.167 20 10 CDCDHM O=C1NC[C@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC000156064846 361711132 /nfs/dbraw/zinc/71/11/32/361711132.db2.gz RTUGGSBGXCEJCJ-VIFPVBQESA-N -1 3 281.743 1.255 20 10 CDCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC1 ZINC000271224935 364977700 /nfs/dbraw/zinc/97/77/00/364977700.db2.gz DWOBHIXKOYKDJJ-UHFFFAOYSA-N -1 3 298.364 1.388 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)c2nncn2C)c([O-])c1O ZINC000271286459 364980027 /nfs/dbraw/zinc/98/00/27/364980027.db2.gz PEMDBLIIKOWTNV-QMMMGPOBSA-N -1 3 276.296 1.026 20 10 CDCDHM Cc1ccc(C(=O)N2CCC(O)CC2)c([O-])c1O ZINC000271263742 364980079 /nfs/dbraw/zinc/98/00/79/364980079.db2.gz KATRFABHQZPBQH-UHFFFAOYSA-N -1 3 251.282 1.003 20 10 CDCDHM CN(Cc1cccc(Cl)c1[O-])[C@H]1CCN(C)C1=O ZINC000271759097 364995278 /nfs/dbraw/zinc/99/52/78/364995278.db2.gz DIRCTZYHJVUSMD-NSHDSACASA-N -1 3 268.744 1.708 20 10 CDCDHM CO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272723104 365366828 /nfs/dbraw/zinc/36/68/28/365366828.db2.gz HWBOHEHSURGOJK-VIFPVBQESA-N -1 3 251.282 1.267 20 10 CDCDHM C[C@H](NCc1cnnn1C)c1ccc(F)c(F)c1[O-] ZINC000287517771 369223590 /nfs/dbraw/zinc/22/35/90/369223590.db2.gz ZLUJTBBJRFNOHK-ZETCQYMHSA-N -1 3 268.267 1.650 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@](O)(C3CC3)C2)c([O-])c1O ZINC000373344054 391116174 /nfs/dbraw/zinc/11/61/74/391116174.db2.gz LRBKRIDLAYGUQG-HNNXBMFYSA-N -1 3 277.320 1.393 20 10 CDCDHM CC[C@@H](O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182817011 391245608 /nfs/dbraw/zinc/24/56/08/391245608.db2.gz CGSZQUPDJSURFC-SECBINFHSA-N -1 3 253.298 1.297 20 10 CDCDHM NC(=O)[C@@H]1c2ccccc2CCN1Cc1ccccc1[O-] ZINC000361053748 391679228 /nfs/dbraw/zinc/67/92/28/391679228.db2.gz SPBYDMUOZSOQSJ-INIZCTEOSA-N -1 3 282.343 1.977 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC(C(N)=O)CC2)c1[O-] ZINC000037322437 260089434 /nfs/dbraw/zinc/08/94/34/260089434.db2.gz BHKQNBWVSNSGOO-UHFFFAOYSA-N -1 3 294.326 1.431 20 10 CDCDHM NC(=O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000158615902 261168115 /nfs/dbraw/zinc/16/81/15/261168115.db2.gz HTJUNEFIKRSHBS-UHFFFAOYSA-N -1 3 268.744 1.743 20 10 CDCDHM CC(C)C[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000187094596 277502448 /nfs/dbraw/zinc/50/24/48/277502448.db2.gz GFYNNCRHQHZHEU-NSHDSACASA-N -1 3 279.336 1.985 20 10 CDCDHM COC(=O)C[C@@H]1COCCN1Cc1ccccc1[O-] ZINC000377831694 329030920 /nfs/dbraw/zinc/03/09/20/329030920.db2.gz APLPYXOERZSJGP-GFCCVEGCSA-N -1 3 265.309 1.156 20 10 CDCDHM O=C(/C=C/c1cncc([O-])c1)N1CCCn2nccc21 ZINC000492402937 332395778 /nfs/dbraw/zinc/39/57/78/332395778.db2.gz XWPXSVSSHNLFGV-NSCUHMNNSA-N -1 3 270.292 1.434 20 10 CDCDHM CC(C)(C)C(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000126164868 518556795 /nfs/dbraw/zinc/55/67/95/518556795.db2.gz CFWWSZHSRYRVDG-UHFFFAOYSA-N -1 3 251.282 1.443 20 10 CDCDHM CCCOc1ccc(CN[C@@H](C(=O)OC)[C@@H](C)O)c([O-])c1 ZINC000276510761 520369608 /nfs/dbraw/zinc/36/96/08/520369608.db2.gz TWHKIVLEMFHNMU-QMTHXVAHSA-N -1 3 297.351 1.193 20 10 CDCDHM CCCCOC(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000280379871 520711034 /nfs/dbraw/zinc/71/10/34/520711034.db2.gz DMKOSRBKDUFWPX-UHFFFAOYSA-N -1 3 267.281 1.171 20 10 CDCDHM COc1c([O-])c(CN[C@@H](C)CF)ccc1[N+](=O)[O-] ZINC000290149087 521877953 /nfs/dbraw/zinc/87/79/53/521877953.db2.gz LAFSETJHNVZMFX-ZETCQYMHSA-N -1 3 258.249 1.757 20 10 CDCDHM Cc1ccc(C(=O)N2CCn3cnnc3[C@H]2C)c([O-])c1O ZINC000276892838 526133683 /nfs/dbraw/zinc/13/36/83/526133683.db2.gz MVRFDCSQFNMRKX-SECBINFHSA-N -1 3 288.307 1.215 20 10 CDCDHM [O-]c1cccc(Cl)c1CNCc1nnc2n1CCC2 ZINC000264943659 526365574 /nfs/dbraw/zinc/36/55/74/526365574.db2.gz HMVGYAUTTWVJMP-UHFFFAOYSA-N -1 3 278.743 1.873 20 10 CDCDHM COC(=O)CN(Cc1c([O-])cccc1OC)C1CC1 ZINC000770282281 575436227 /nfs/dbraw/zinc/43/62/27/575436227.db2.gz ZXVNVWMFWLKICQ-UHFFFAOYSA-N -1 3 265.309 1.538 20 10 CDCDHM Cc1noc(CNC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000770483342 575454843 /nfs/dbraw/zinc/45/48/43/575454843.db2.gz NNEHOGSWNWHHPH-UHFFFAOYSA-N -1 3 263.253 1.028 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC(C2OCCO2)CC1 ZINC000732281938 575086694 /nfs/dbraw/zinc/08/66/94/575086694.db2.gz GUMVTMAGIAINNL-UHFFFAOYSA-N -1 3 283.349 1.679 20 10 CDCDHM CN(Cc1cccc(Br)c1[O-])[C@H]1CCNC1=O ZINC000770379073 575474681 /nfs/dbraw/zinc/47/46/81/575474681.db2.gz IJXLRZQLXARRRP-JTQLQIEISA-N -1 3 299.168 1.475 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCCC2(C1)OCCO2 ZINC000764882244 575959650 /nfs/dbraw/zinc/95/96/50/575959650.db2.gz ZLHAJCHURKIZIN-UHFFFAOYSA-N -1 3 269.322 1.433 20 10 CDCDHM C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000765143268 575991796 /nfs/dbraw/zinc/99/17/96/575991796.db2.gz MZQTVCLZMTWSLL-BDAKNGLRSA-N -1 3 255.339 1.829 20 10 CDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H](C)O1 ZINC000768438358 576282467 /nfs/dbraw/zinc/28/24/67/576282467.db2.gz RTJRPPKVRBCCJE-RBZYPMLTSA-N -1 3 279.336 1.427 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000760178884 576464478 /nfs/dbraw/zinc/46/44/78/576464478.db2.gz YAPMSCNGZLZZQN-IONNQARKSA-N -1 3 295.282 1.982 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000743706550 576651618 /nfs/dbraw/zinc/65/16/18/576651618.db2.gz XOSNGYLTKXDGCB-NSHDSACASA-N -1 3 296.392 1.248 20 10 CDCDHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc([O-])cs1 ZINC000743737297 576652923 /nfs/dbraw/zinc/65/29/23/576652923.db2.gz ZLJAGKKZGRINDF-QMMMGPOBSA-N -1 3 271.338 1.771 20 10 CDCDHM COc1cccc([O-])c1CN1CC[C@H](C)[S@](=O)CC1 ZINC000763494455 576739691 /nfs/dbraw/zinc/73/96/91/576739691.db2.gz ULDVKUKGRKSJIP-JEOXALJRSA-N -1 3 283.393 1.744 20 10 CDCDHM COc1cccc(CCNC(=O)c2cc([O-])cs2)n1 ZINC000754016192 576873740 /nfs/dbraw/zinc/87/37/40/576873740.db2.gz CFBZKKGTYKPFPI-UHFFFAOYSA-N -1 3 278.333 1.830 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000754455671 576897295 /nfs/dbraw/zinc/89/72/95/576897295.db2.gz XNZDBVVQJHNTOO-LLVKDONJSA-N -1 3 296.392 1.248 20 10 CDCDHM C[C@]1(C2CC2)COCCN1C(=O)c1cccc(O)c1[O-] ZINC000890587126 617222094 /nfs/dbraw/zinc/22/20/94/617222094.db2.gz WURDFRLNFUTCKK-OAHLLOKOSA-N -1 3 277.320 1.739 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@H]2CO)c1[O-] ZINC000934024446 617845104 /nfs/dbraw/zinc/84/51/04/617845104.db2.gz CYEFRPMHHDRGLM-NSHDSACASA-N -1 3 253.273 1.301 20 10 CDCDHM COC(=O)[C@](C)(CO)NCc1cc(Cl)c(C)cc1[O-] ZINC000894971575 619168860 /nfs/dbraw/zinc/16/88/60/619168860.db2.gz DRWCRKMIMISLCG-ZDUSSCGKSA-N -1 3 287.743 1.368 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898192427 621387678 /nfs/dbraw/zinc/38/76/78/621387678.db2.gz IUUSZYQWBQACMO-CMPLNLGQSA-N -1 3 259.708 1.950 20 10 CDCDHM NCC(F)(F)CNCc1c([O-])cccc1Cl ZINC000841059927 621608093 /nfs/dbraw/zinc/60/80/93/621608093.db2.gz MSTUSRVCOVNPCO-UHFFFAOYSA-N -1 3 250.676 1.729 20 10 CDCDHM Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001607667628 1164263390 /nfs/dbraw/zinc/26/33/90/1164263390.db2.gz MJQILMCFFDMZCN-ZIAGYGMSSA-N -1 3 278.352 1.081 20 10 CDCDHM C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cn[nH]c1 ZINC001589954545 1173211282 /nfs/dbraw/zinc/21/12/82/1173211282.db2.gz YXUALNDUNCWWQZ-BDAKNGLRSA-N -1 3 299.338 1.707 20 10 CDCDHM Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592331780 1173857221 /nfs/dbraw/zinc/85/72/21/1173857221.db2.gz VAAWFSUJPHUREG-SECBINFHSA-N -1 3 299.338 1.455 20 10 CDCDHM COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000787499840 744987363 /nfs/dbraw/zinc/98/73/63/744987363.db2.gz AZWUZMMEODKNCX-DTWKUNHWSA-N -1 3 279.292 1.121 20 10 CDCDHM CC[C@@]1(CO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000784727160 745285438 /nfs/dbraw/zinc/28/54/38/745285438.db2.gz VOHBSEQYUXMRCM-AWEZNQCLSA-N -1 3 265.309 1.475 20 10 CDCDHM O=C(Nc1nnc2ccccn21)c1cccc(O)c1[O-] ZINC000776330645 745482546 /nfs/dbraw/zinc/48/25/46/745482546.db2.gz NGPOGJINPOPCAB-UHFFFAOYSA-N -1 3 270.248 1.393 20 10 CDCDHM CCC(O)(CC)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000706413014 745715497 /nfs/dbraw/zinc/71/54/97/745715497.db2.gz CTHYZHJBJYYUKL-UHFFFAOYSA-N -1 3 267.325 1.721 20 10 CDCDHM CCS(=O)(=O)CCN(C)Cc1cc(Cl)ccc1[O-] ZINC000093643365 745805988 /nfs/dbraw/zinc/80/59/88/745805988.db2.gz XSKOZDOUHBICPO-UHFFFAOYSA-N -1 3 291.800 1.912 20 10 CDCDHM CNC(=O)CN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000827863020 746075806 /nfs/dbraw/zinc/07/58/06/746075806.db2.gz XUYQGPVZRYUTMB-UHFFFAOYSA-N -1 3 260.696 1.363 20 10 CDCDHM Cc1nnc([C@@H](C)NCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000708389590 746637605 /nfs/dbraw/zinc/63/76/05/746637605.db2.gz MHWPQYWUPBVIAU-ZCFIWIBFSA-N -1 3 268.267 1.948 20 10 CDCDHM [O-]c1cccc(Br)c1CN1CCOCC1 ZINC000707172052 746666233 /nfs/dbraw/zinc/66/62/33/746666233.db2.gz RMOVXOBKLFZSDM-UHFFFAOYSA-N -1 3 272.142 1.987 20 10 CDCDHM Cc1nc(C)c(CCC(=O)Nc2ccc(N)cc2)c(=O)[n-]1 ZINC000832249937 747216489 /nfs/dbraw/zinc/21/64/89/747216489.db2.gz GRLYMHUTBKGVFW-UHFFFAOYSA-N -1 3 286.335 1.953 20 10 CDCDHM CN(CCS(C)(=O)=O)Cc1cc(Cl)ccc1[O-] ZINC000156085894 747317777 /nfs/dbraw/zinc/31/77/77/747317777.db2.gz WDTXJVITFOKUPD-UHFFFAOYSA-N -1 3 277.773 1.522 20 10 CDCDHM CC(C)(C)OC(=O)C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000863376334 747512203 /nfs/dbraw/zinc/51/22/03/747512203.db2.gz WMZIXYUAZQJFAD-UHFFFAOYSA-N -1 3 295.335 1.948 20 10 CDCDHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000126452553 747869267 /nfs/dbraw/zinc/86/92/67/747869267.db2.gz FOPIPYXSZUVZBJ-SNVBAGLBSA-N -1 3 253.298 1.499 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@]2(C)CCOC2=O)c1[O-] ZINC000810093749 748476433 /nfs/dbraw/zinc/47/64/33/748476433.db2.gz NHSXFTGYQWDUQX-CQSZACIVSA-N -1 3 281.283 1.529 20 10 CDCDHM CS(=O)(=O)C1CN(Cc2ccc3ccccc3c2[O-])C1 ZINC000841887509 748715189 /nfs/dbraw/zinc/71/51/89/748715189.db2.gz QXOWKNMAUJYAIV-UHFFFAOYSA-N -1 3 291.372 1.774 20 10 CDCDHM O=C(NCc1c(O)cccc1F)c1cncc([O-])c1 ZINC001156170774 927347612 /nfs/dbraw/zinc/34/76/12/927347612.db2.gz UJEMWKYHEKSLJD-UHFFFAOYSA-N -1 3 262.240 1.562 20 10 CDCDHM CN1C(=O)CS/C1=C/C(=O)NCc1c([O-])cccc1F ZINC001156170487 927347718 /nfs/dbraw/zinc/34/77/18/927347718.db2.gz OCRQRHXDTRSBTE-WLRTZDKTSA-N -1 3 296.323 1.194 20 10 CDCDHM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1O ZINC001151885647 937315675 /nfs/dbraw/zinc/31/56/75/937315675.db2.gz AMLBKDOSNRHBCF-SECBINFHSA-N -1 3 258.277 1.984 20 10 CDCDHM Cc1c(NC(=O)c2cc(O)c([O-])c(O)c2)ncn1C ZINC001148582243 932750672 /nfs/dbraw/zinc/75/06/72/932750672.db2.gz GWIXNLIDEGTPDX-UHFFFAOYSA-N -1 3 263.253 1.098 20 10 CDCDHM Cc1cc(CNC(=O)c2cc(O)c([O-])c(O)c2)no1 ZINC001148581183 932750720 /nfs/dbraw/zinc/75/07/20/932750720.db2.gz OGRYQTMCWVDODQ-UHFFFAOYSA-N -1 3 264.237 1.030 20 10 CDCDHM O=C(Nc1cnc2nccn2c1)c1cc(O)c([O-])c(O)c1 ZINC001148582283 932751641 /nfs/dbraw/zinc/75/16/41/932751641.db2.gz IISODCRTQJZIFH-UHFFFAOYSA-N -1 3 286.247 1.098 20 10 CDCDHM CCn1cc(NC(=O)c2cc(O)c([O-])c(O)c2)ccc1=O ZINC001148590096 932754943 /nfs/dbraw/zinc/75/49/43/932754943.db2.gz BOMMCUJYESDJED-UHFFFAOYSA-N -1 3 290.275 1.237 20 10 CDCDHM N[C@@H]1CN(Cc2c([O-])cccc2F)CCC1(F)F ZINC001206657021 937657701 /nfs/dbraw/zinc/65/77/01/937657701.db2.gz OCPRCBZPLYFRAN-LLVKDONJSA-N -1 3 260.259 1.700 20 10 CDCDHM NC(=O)c1noc2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC001278255226 945214948 /nfs/dbraw/zinc/21/49/48/945214948.db2.gz PFRARRGFQGMLQF-UHFFFAOYSA-N -1 3 291.282 1.177 20 10 CDCDHM C[C@@]1(O)CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446413 942890926 /nfs/dbraw/zinc/89/09/26/942890926.db2.gz IPPFFWJMAZJAMN-OAHLLOKOSA-N -1 3 279.336 1.827 20 10 CDCDHM C[C@@]1(O)CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446413 942890928 /nfs/dbraw/zinc/89/09/28/942890928.db2.gz IPPFFWJMAZJAMN-OAHLLOKOSA-N -1 3 279.336 1.827 20 10 CDCDHM C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@@H]1O ZINC001231561440 942927868 /nfs/dbraw/zinc/92/78/68/942927868.db2.gz VCOHPHNWTQYGNB-GWCFXTLKSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@@H]1O ZINC001231561440 942927871 /nfs/dbraw/zinc/92/78/71/942927871.db2.gz VCOHPHNWTQYGNB-GWCFXTLKSA-N -1 3 279.336 1.683 20 10 CDCDHM CN(C)C(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231565185 942930271 /nfs/dbraw/zinc/93/02/71/942930271.db2.gz AFLDLPOBVUIUIR-LBPRGKRZSA-N -1 3 292.335 1.143 20 10 CDCDHM NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc2ccccc2c1[O-] ZINC001231880663 943038031 /nfs/dbraw/zinc/03/80/31/943038031.db2.gz BNNSZXVRAJGDEB-JSGCOSHPSA-N -1 3 288.322 1.943 20 10 CDCDHM COC1(C)CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232259006 943192185 /nfs/dbraw/zinc/19/21/85/943192185.db2.gz GQYNEFBJPHJQEF-UHFFFAOYSA-N -1 3 257.717 1.972 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])ccc(F)c2F)CC[C@H]1O ZINC001233332519 943546484 /nfs/dbraw/zinc/54/64/84/943546484.db2.gz NRJDJIYINXDNFC-LDYMZIIASA-N -1 3 257.280 1.873 20 10 CDCDHM O=C1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCN1 ZINC001233451548 943587482 /nfs/dbraw/zinc/58/74/82/943587482.db2.gz OUSQDHCOQLHVKX-UHFFFAOYSA-N -1 3 274.242 1.343 20 10 CDCDHM O=S(=O)(CCC(F)(F)F)[N-]c1ccc(O)cc1O ZINC001259865569 945668436 /nfs/dbraw/zinc/66/84/36/945668436.db2.gz ORWRZGCGAXJAKH-UHFFFAOYSA-N -1 3 285.243 1.792 20 10 CDCDHM C[C@@H]([NH2+]C1CCN(CC(=O)[O-])CC1)c1ccc(F)cc1[O-] ZINC001589124185 956154799 /nfs/dbraw/zinc/15/47/99/956154799.db2.gz RIWPFOYBWSESJZ-SNVBAGLBSA-N -1 3 296.342 1.731 20 10 CDCDHM CC[C@H](CCO)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001595128104 979523565 /nfs/dbraw/zinc/52/35/65/979523565.db2.gz GTAGILISZWRZFH-MWLCHTKSSA-N -1 3 267.325 1.902 20 10 CDCDHM C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256441 994520872 /nfs/dbraw/zinc/52/08/72/994520872.db2.gz HRGMCHYRIOBDRH-ONGXEEELSA-N -1 3 265.309 1.920 20 10 CDCDHM COc1cccc(CNCc2ccc(C(=O)[O-])cn2)c1O ZINC001599674351 994871728 /nfs/dbraw/zinc/87/17/28/994871728.db2.gz OQAPNDJRFGQGCN-UHFFFAOYSA-N -1 3 288.303 1.784 20 10 CDCDHM COc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001599391334 997042195 /nfs/dbraw/zinc/04/21/95/997042195.db2.gz RGOKEBKASQDVPW-ZWNOBZJWSA-N -1 3 279.336 1.862 20 10 CDCDHM COc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001599391334 997042202 /nfs/dbraw/zinc/04/22/02/997042202.db2.gz RGOKEBKASQDVPW-ZWNOBZJWSA-N -1 3 279.336 1.862 20 10 CDCDHM CN(C[C@@H]1CCOC1)C(=O)c1cccc(O)c1[O-] ZINC000193127572 529956337 /nfs/dbraw/zinc/95/63/37/529956337.db2.gz LRTCSJDXDKBHMW-VIFPVBQESA-N -1 3 251.282 1.206 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CC(F)(F)C[C@H]1CO ZINC000364647825 358462667 /nfs/dbraw/zinc/46/26/67/358462667.db2.gz AKZITGPDQVYZOB-JTQLQIEISA-N -1 3 261.243 1.733 20 10 CDCDHM CCS(=O)(=O)CCN(C)Cc1cc(F)ccc1[O-] ZINC000180196118 357250609 /nfs/dbraw/zinc/25/06/09/357250609.db2.gz UZRLLYCTZPLZTN-UHFFFAOYSA-N -1 3 275.345 1.398 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCN(C)C(=O)C2)c1[O-] ZINC000180293177 357260035 /nfs/dbraw/zinc/26/00/35/357260035.db2.gz PFXLXEAARZMEJL-UHFFFAOYSA-N -1 3 268.744 1.628 20 10 CDCDHM CCN1CCCN(C(=O)c2ccc(C)c(O)c2[O-])CC1=O ZINC000188076703 357843183 /nfs/dbraw/zinc/84/31/83/357843183.db2.gz OPHHGGTZMZCGPQ-UHFFFAOYSA-N -1 3 292.335 1.101 20 10 CDCDHM CCCOc1ccc(CN[C@H](C)C(=O)OC)c([O-])c1 ZINC000193093274 358264383 /nfs/dbraw/zinc/26/43/83/358264383.db2.gz CAMOIYREXGZZJP-SNVBAGLBSA-N -1 3 267.325 1.832 20 10 CDCDHM O=C1CCC[C@H]1[C@H]1COCCN1Cc1ccccc1[O-] ZINC000365277259 359238901 /nfs/dbraw/zinc/23/89/01/359238901.db2.gz INIBYCNEEZERTL-UONOGXRCSA-N -1 3 275.348 1.962 20 10 CDCDHM C[C@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1ccccc1[O-] ZINC000114721382 359494787 /nfs/dbraw/zinc/49/47/87/359494787.db2.gz KDJDSLSKNUFGKK-TZMCWYRMSA-N -1 3 292.379 1.508 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCOC2(CCOCC2)C1 ZINC000272240926 365147772 /nfs/dbraw/zinc/14/77/72/365147772.db2.gz APIJLOXAKDRJCV-UHFFFAOYSA-N -1 3 281.327 1.913 20 10 CDCDHM CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272739117 365374086 /nfs/dbraw/zinc/37/40/86/365374086.db2.gz LRUSQWNQMLMNMG-WPRPVWTQSA-N -1 3 285.365 1.248 20 10 CDCDHM C[C@H]1CS(=O)(=O)C[C@H]1NCc1c([O-])cccc1Cl ZINC000288427475 369448011 /nfs/dbraw/zinc/44/80/11/369448011.db2.gz BKHBEGIYGXOOIY-GZMMTYOYSA-N -1 3 289.784 1.568 20 10 CDCDHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295217169 371154235 /nfs/dbraw/zinc/15/42/35/371154235.db2.gz XVSUYAINPCNVCD-KWQFWETISA-N -1 3 294.326 1.449 20 10 CDCDHM CCCCOCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182243118 391233072 /nfs/dbraw/zinc/23/30/72/391233072.db2.gz LOYYAACZGRZKAX-UHFFFAOYSA-N -1 3 267.325 1.953 20 10 CDCDHM Cc1ccc(C(=O)NCC2(O)CCCC2)c([O-])c1O ZINC000182440696 391235419 /nfs/dbraw/zinc/23/54/19/391235419.db2.gz UCTNPPGLNHLQKZ-UHFFFAOYSA-N -1 3 265.309 1.441 20 10 CDCDHM CCCOc1ccc(CN(C)CC(=O)OC)c([O-])c1 ZINC000179396104 391204071 /nfs/dbraw/zinc/20/40/71/391204071.db2.gz NNTOGQKUUCRTQU-UHFFFAOYSA-N -1 3 267.325 1.786 20 10 CDCDHM CC[C@@H](NCc1nncn1C)c1ccc(F)cc1[O-] ZINC000285703324 391497712 /nfs/dbraw/zinc/49/77/12/391497712.db2.gz PFHDVTCDQLBCAA-LLVKDONJSA-N -1 3 264.304 1.901 20 10 CDCDHM CCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000037322518 260089685 /nfs/dbraw/zinc/08/96/85/260089685.db2.gz SSVOXOWZBZEICO-UHFFFAOYSA-N -1 3 280.343 1.871 20 10 CDCDHM C[C@H](O)CC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000187124948 262382494 /nfs/dbraw/zinc/38/24/94/262382494.db2.gz FJFNKHMDKJZCEI-VIFPVBQESA-N -1 3 267.325 1.625 20 10 CDCDHM CC(C)[C@H](O)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959847 1173212326 /nfs/dbraw/zinc/21/23/26/1173212326.db2.gz VZLVIDWYGJQTOW-BXKDBHETSA-N -1 3 291.355 1.240 20 10 CDCDHM COc1cc(Cl)cc(CN2CCNC(=O)C[C@H]2C)c1[O-] ZINC000367669457 267107677 /nfs/dbraw/zinc/10/76/77/267107677.db2.gz KZOPWSMSYIRDJF-SECBINFHSA-N -1 3 298.770 1.765 20 10 CDCDHM Cn1cnc2c1CCN(Cc1cc(F)ccc1[O-])C2 ZINC000367930198 267128469 /nfs/dbraw/zinc/12/84/69/267128469.db2.gz MXINMGAAZUBUCM-UHFFFAOYSA-N -1 3 261.300 1.823 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H]([C@H]3CCOC3)C2)c([O-])c1O ZINC000368084685 267145372 /nfs/dbraw/zinc/14/53/72/267145372.db2.gz HMFNBTGAPHZEDT-RYUDHWBXSA-N -1 3 291.347 1.905 20 10 CDCDHM Cc1noc(C2CN(C(=O)c3ccc(C)c(O)c3[O-])C2)n1 ZINC000370489203 267322801 /nfs/dbraw/zinc/32/28/01/267322801.db2.gz ABKAQPFWPDIWJS-UHFFFAOYSA-N -1 3 289.291 1.337 20 10 CDCDHM CCCN(Cc1cc(F)ccc1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000282843037 276001318 /nfs/dbraw/zinc/00/13/18/276001318.db2.gz CVHUWZBHUIGSIX-GFCCVEGCSA-N -1 3 294.326 1.501 20 10 CDCDHM COC(=O)[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000360079701 329071260 /nfs/dbraw/zinc/07/12/60/329071260.db2.gz PPOIXOXWWKGYES-LLVKDONJSA-N -1 3 285.727 1.419 20 10 CDCDHM O=C(NC[C@@]1(O)CCc2ccccc21)c1cccc(O)c1[O-] ZINC000187201899 329354838 /nfs/dbraw/zinc/35/48/38/329354838.db2.gz CAGAWMAAFSKXMQ-KRWDZBQOSA-N -1 3 299.326 1.662 20 10 CDCDHM Cc1nnsc1CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000293761063 526447143 /nfs/dbraw/zinc/44/71/43/526447143.db2.gz UKVWWKRWWJUHMG-UHFFFAOYSA-N -1 3 279.321 1.496 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(C2OCCO2)CC1 ZINC000275013796 526770589 /nfs/dbraw/zinc/77/05/89/526770589.db2.gz XTJAOIKGDOPRTL-UHFFFAOYSA-N -1 3 293.319 1.323 20 10 CDCDHM C[N@H+](CC(=O)[O-])Cc1cc(C(C)(C)C)cc(O)c1[O-] ZINC000739632030 574834783 /nfs/dbraw/zinc/83/47/83/574834783.db2.gz LWESOXAAQOHKHS-UHFFFAOYSA-N -1 3 267.325 1.912 20 10 CDCDHM C[N@@H+](CC(=O)[O-])Cc1cc(C(C)(C)C)cc(O)c1[O-] ZINC000739632030 574834785 /nfs/dbraw/zinc/83/47/85/574834785.db2.gz LWESOXAAQOHKHS-UHFFFAOYSA-N -1 3 267.325 1.912 20 10 CDCDHM O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc([O-])cs1 ZINC000732280683 575086603 /nfs/dbraw/zinc/08/66/03/575086603.db2.gz PDJYFMKODFXOCW-ZETCQYMHSA-N -1 3 294.298 1.820 20 10 CDCDHM CC[C@H](C)[C@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000743482151 576642159 /nfs/dbraw/zinc/64/21/59/576642159.db2.gz OOWBCPRAAIDJHK-QPUJVOFHSA-N -1 3 257.355 1.981 20 10 CDCDHM COc1cccc(CNc2ccc(-c3nnn[n-]3)cn2)c1O ZINC000737133132 575829966 /nfs/dbraw/zinc/82/99/66/575829966.db2.gz XXJMZOZOSCGIFD-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cn2)c1O ZINC000737133132 575829969 /nfs/dbraw/zinc/82/99/69/575829969.db2.gz XXJMZOZOSCGIFD-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000765143271 575988825 /nfs/dbraw/zinc/98/88/25/575988825.db2.gz MZQTVCLZMTWSLL-RKDXNWHRSA-N -1 3 255.339 1.829 20 10 CDCDHM CC(C)N1C[C@H](NC(=O)c2cc([O-])cs2)CC1=O ZINC000738525983 576085915 /nfs/dbraw/zinc/08/59/15/576085915.db2.gz FEHYDXSFTXXFCF-MRVPVSSYSA-N -1 3 268.338 1.193 20 10 CDCDHM CCOc1ccc(CN2CCO[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000769333967 576347166 /nfs/dbraw/zinc/34/71/66/576347166.db2.gz WGZPPEBNNXBVLV-CQSZACIVSA-N -1 3 295.335 1.165 20 10 CDCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)CC[S@]1=O ZINC000760922583 576525416 /nfs/dbraw/zinc/52/54/16/576525416.db2.gz RMJVTUJBTLVCTG-CQLKUDPESA-N -1 3 273.379 1.437 20 10 CDCDHM COc1ccsc1S(=O)(=O)[N-]Cc1ccccc1O ZINC000751149060 577027939 /nfs/dbraw/zinc/02/79/39/577027939.db2.gz LHBVSKXXHSWHEF-UHFFFAOYSA-N -1 3 299.373 1.941 20 10 CDCDHM [O-]c1c(F)cc(Cl)cc1CN[C@@]1(CO)CCOC1 ZINC000757978232 577065017 /nfs/dbraw/zinc/06/50/17/577065017.db2.gz LIJCGQPLVOPJFA-GFCCVEGCSA-N -1 3 275.707 1.426 20 10 CDCDHM NC(=O)c1ccc(CNC(=O)c2cc([O-])cs2)o1 ZINC000752816728 577129680 /nfs/dbraw/zinc/12/96/80/577129680.db2.gz OROIMYBBGGMZOM-UHFFFAOYSA-N -1 3 266.278 1.076 20 10 CDCDHM C[C@]12CSC[C@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000891180253 617375830 /nfs/dbraw/zinc/37/58/30/617375830.db2.gz GIQHDWWPECTXNU-OTYXRUKQSA-N -1 3 279.361 1.923 20 10 CDCDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000897681056 621068590 /nfs/dbraw/zinc/06/85/90/621068590.db2.gz YIHRWUOVYXVULK-KRTXAFLBSA-N -1 3 259.708 1.997 20 10 CDCDHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1Cc2cccc(O)c2C1 ZINC001607012572 1164061558 /nfs/dbraw/zinc/06/15/58/1164061558.db2.gz JEDCAJOIVOFCBZ-UHFFFAOYSA-N -1 3 296.290 1.056 20 10 CDCDHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1Cc2cccc(O)c2C1 ZINC001607012572 1164061562 /nfs/dbraw/zinc/06/15/62/1164061562.db2.gz JEDCAJOIVOFCBZ-UHFFFAOYSA-N -1 3 296.290 1.056 20 10 CDCDHM COc1ccc(CNc2cnccc2-c2nnn[n-]2)c(O)c1 ZINC001591602196 1173674384 /nfs/dbraw/zinc/67/43/84/1173674384.db2.gz IJRCABCHYNFDDF-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1ccc(CNc2cnccc2-c2nn[n-]n2)c(O)c1 ZINC001591602196 1173674388 /nfs/dbraw/zinc/67/43/88/1173674388.db2.gz IJRCABCHYNFDDF-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM CC(=O)C(=O)CSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001602912477 1175449491 /nfs/dbraw/zinc/44/94/91/1175449491.db2.gz REBVJLYQJQANND-UHFFFAOYSA-N -1 3 291.336 1.129 20 10 CDCDHM CC(=O)C(=O)CSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001602912477 1175449493 /nfs/dbraw/zinc/44/94/93/1175449493.db2.gz REBVJLYQJQANND-UHFFFAOYSA-N -1 3 291.336 1.129 20 10 CDCDHM Cc1[nH]nc2ncc(NC(=O)c3cccc(O)c3[O-])cc12 ZINC000188285432 751353903 /nfs/dbraw/zinc/35/39/03/751353903.db2.gz ZASXZGADVZKKDZ-UHFFFAOYSA-N -1 3 284.275 1.930 20 10 CDCDHM CNC(=O)CN(C)Cc1c([O-])cccc1Br ZINC000707141542 749771870 /nfs/dbraw/zinc/77/18/70/749771870.db2.gz DUVOMSPIWPEQMH-UHFFFAOYSA-N -1 3 287.157 1.333 20 10 CDCDHM COCCN(C)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610257796 1165277770 /nfs/dbraw/zinc/27/77/70/1165277770.db2.gz GNLZDTMQMGYQDB-NSHDSACASA-N -1 3 296.367 1.319 20 10 CDCDHM CCOC(=O)C1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000790938552 749838568 /nfs/dbraw/zinc/83/85/68/749838568.db2.gz XGSWIGXFIOHFGC-UHFFFAOYSA-N -1 3 279.292 1.171 20 10 CDCDHM O=C([O-])C[N@H+](Cc1cc(F)ccc1[O-])C1CCC1 ZINC000848640558 750477803 /nfs/dbraw/zinc/47/78/03/750477803.db2.gz RUICRUPXXJZADC-UHFFFAOYSA-N -1 3 253.273 1.970 20 10 CDCDHM O=C([O-])C[N@@H+](Cc1cc(F)ccc1[O-])C1CCC1 ZINC000848640558 750477808 /nfs/dbraw/zinc/47/78/08/750477808.db2.gz RUICRUPXXJZADC-UHFFFAOYSA-N -1 3 253.273 1.970 20 10 CDCDHM CCN(CC(=O)NC)Cc1cc(Cl)c(F)cc1[O-] ZINC000816486355 750814351 /nfs/dbraw/zinc/81/43/51/750814351.db2.gz ZIARACYDDDHFNS-UHFFFAOYSA-N -1 3 274.723 1.753 20 10 CDCDHM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000790916524 750825944 /nfs/dbraw/zinc/82/59/44/750825944.db2.gz TVFCJOXPTJIWFZ-BXKDBHETSA-N -1 3 265.309 1.643 20 10 CDCDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000397229286 750862526 /nfs/dbraw/zinc/86/25/26/750862526.db2.gz LIUOODIBVMDABT-CYBMUJFWSA-N -1 3 251.282 1.254 20 10 CDCDHM C[C@H]1CO[C@@H](CO)CN1Cc1cc(F)ccc1[O-] ZINC000779034166 751007980 /nfs/dbraw/zinc/00/79/80/751007980.db2.gz PLBNUSKYTILRCJ-JOYOIKCWSA-N -1 3 255.289 1.113 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)C(F)(F)F ZINC000819566868 751041318 /nfs/dbraw/zinc/04/13/18/751041318.db2.gz SUFMTZSGQDYJFG-ANLVUFKYSA-N -1 3 279.214 1.139 20 10 CDCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cn[n-]n1 ZINC000048892071 751074365 /nfs/dbraw/zinc/07/43/65/751074365.db2.gz LJZPZLXJDDSVAC-UHFFFAOYSA-N -1 3 271.324 1.335 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CC[C@](F)(CO)C1 ZINC000802660933 753115829 /nfs/dbraw/zinc/11/58/29/753115829.db2.gz ZWPISTNGVMQBGP-GFCCVEGCSA-N -1 3 259.708 1.952 20 10 CDCDHM NC(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776325950 753162372 /nfs/dbraw/zinc/16/23/72/753162372.db2.gz UOPBOYSWLSYPKR-UHFFFAOYSA-N -1 3 287.275 1.841 20 10 CDCDHM Cc1nsc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000126563271 753469859 /nfs/dbraw/zinc/46/98/59/753469859.db2.gz QVJODNPQYYEURK-UHFFFAOYSA-N -1 3 251.267 1.510 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCc2ncsc2C1 ZINC000783844279 753649703 /nfs/dbraw/zinc/64/97/03/753649703.db2.gz HRTGDMYJXAJLFK-UHFFFAOYSA-N -1 3 276.317 1.753 20 10 CDCDHM CC1(C)C(=O)NCCN1Cc1ccc(Cl)cc1[O-] ZINC001140466682 896238087 /nfs/dbraw/zinc/23/80/87/896238087.db2.gz KXFAHMAPPMQTTN-UHFFFAOYSA-N -1 3 268.744 1.756 20 10 CDCDHM CC(=O)N1CCCN(Cc2c([O-])cccc2F)CC1 ZINC001137831547 922446780 /nfs/dbraw/zinc/44/67/80/922446780.db2.gz DOTPNWCDFQWGFL-UHFFFAOYSA-N -1 3 266.316 1.586 20 10 CDCDHM CC(C)NC(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000708441738 923193651 /nfs/dbraw/zinc/19/36/51/923193651.db2.gz KULITVPWOPCCMC-UHFFFAOYSA-N -1 3 258.268 1.285 20 10 CDCDHM CC1(C)C[C@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC001148220076 932672467 /nfs/dbraw/zinc/67/24/67/932672467.db2.gz OTEVZBGWBCGRJA-MRVPVSSYSA-N -1 3 251.282 1.395 20 10 CDCDHM Nc1cnc(Cl)c(NC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148582230 932750991 /nfs/dbraw/zinc/75/09/91/932750991.db2.gz GJXFKCFBWWCNIG-UHFFFAOYSA-N -1 3 296.670 1.081 20 10 CDCDHM O=C(NC[C@@H](O)C1CCCCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589846 932754825 /nfs/dbraw/zinc/75/48/25/932754825.db2.gz NOUFRTJFAMEZIB-CYBMUJFWSA-N -1 3 295.335 1.474 20 10 CDCDHM CN(C)c1ncccc1NC(=O)c1cccc(O)c1[O-] ZINC000188404727 934436707 /nfs/dbraw/zinc/43/67/07/934436707.db2.gz ZOIBWQMBYAWKDE-UHFFFAOYSA-N -1 3 273.292 1.811 20 10 CDCDHM C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561250 942926130 /nfs/dbraw/zinc/92/61/30/942926130.db2.gz QLUPSDYNVBPBOX-KOLCDFICSA-N -1 3 265.309 1.293 20 10 CDCDHM C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561250 942926136 /nfs/dbraw/zinc/92/61/36/942926136.db2.gz QLUPSDYNVBPBOX-KOLCDFICSA-N -1 3 265.309 1.293 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC001231560281 942926200 /nfs/dbraw/zinc/92/62/00/942926200.db2.gz FDCHHJRTZUCYNG-LBPRGKRZSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC001231560281 942926205 /nfs/dbraw/zinc/92/62/05/942926205.db2.gz FDCHHJRTZUCYNG-LBPRGKRZSA-N -1 3 265.309 1.437 20 10 CDCDHM [O-]c1cc(O)c(CN2CCN3CCOC[C@@H]3C2)cc1Cl ZINC001232260827 943192561 /nfs/dbraw/zinc/19/25/61/943192561.db2.gz RSPFYNLKHPNGMN-NSHDSACASA-N -1 3 298.770 1.268 20 10 CDCDHM COc1cc([O-])c(CN2C[C@H](F)C[C@H]2CO)cc1Cl ZINC001232266940 943196607 /nfs/dbraw/zinc/19/66/07/943196607.db2.gz SXBPRLBVCYUNDX-ZJUUUORDSA-N -1 3 289.734 1.959 20 10 CDCDHM [O-]c1c(CN2C[C@H](O)[C@@H](CO)C2)cccc1C(F)(F)F ZINC001233415704 943580072 /nfs/dbraw/zinc/58/00/72/943580072.db2.gz GDSLWVPVLSESET-KOLCDFICSA-N -1 3 291.269 1.196 20 10 CDCDHM O=C(NCCCc1nnc[nH]1)NCc1c([O-])cccc1F ZINC001312977959 956833095 /nfs/dbraw/zinc/83/30/95/956833095.db2.gz UPSPFURDBTXDCL-UHFFFAOYSA-N -1 3 293.302 1.081 20 10 CDCDHM COc1cc(Cl)cc(C[NH2+]C[C@@H](C)C(=O)[O-])c1[O-] ZINC000848639337 969270909 /nfs/dbraw/zinc/27/09/09/969270909.db2.gz HWVRKZGUSVVQQG-SSDOTTSWSA-N -1 3 273.716 1.865 20 10 CDCDHM CC[C@H](CCO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001595128102 979523883 /nfs/dbraw/zinc/52/38/83/979523883.db2.gz GTAGILISZWRZFH-GXSJLCMTSA-N -1 3 267.325 1.902 20 10 CDCDHM CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001597102078 986725469 /nfs/dbraw/zinc/72/54/69/986725469.db2.gz MVLVPIBVELJFNM-NWDGAFQWSA-N -1 3 295.335 1.058 20 10 CDCDHM CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001597102078 986725478 /nfs/dbraw/zinc/72/54/78/986725478.db2.gz MVLVPIBVELJFNM-NWDGAFQWSA-N -1 3 295.335 1.058 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001599680290 994969061 /nfs/dbraw/zinc/96/90/61/994969061.db2.gz KAGDXFIIROBCDT-UWVGGRQHSA-N -1 3 265.309 1.696 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001599680290 994969068 /nfs/dbraw/zinc/96/90/68/994969068.db2.gz KAGDXFIIROBCDT-UWVGGRQHSA-N -1 3 265.309 1.696 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])ccc3ccccc32)CC(=O)N1 ZINC000295019072 199303409 /nfs/dbraw/zinc/30/34/09/199303409.db2.gz NBHIRSKMYWSFEO-LLVKDONJSA-N -1 3 270.332 1.866 20 10 CDCDHM CC(C)N(CCS(C)(=O)=O)Cc1cc(F)ccc1[O-] ZINC000180210703 357251964 /nfs/dbraw/zinc/25/19/64/357251964.db2.gz YYYOQVXXSRHBIW-UHFFFAOYSA-N -1 3 289.372 1.786 20 10 CDCDHM C[C@H](N[C@H]1CCCCNC1=O)c1ccc(F)c(F)c1[O-] ZINC000191198292 358119156 /nfs/dbraw/zinc/11/91/56/358119156.db2.gz JMBXHSXEBFYKIB-KWQFWETISA-N -1 3 284.306 1.990 20 10 CDCDHM COC(=O)N1CC(N[C@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000276863290 291181396 /nfs/dbraw/zinc/18/13/96/291181396.db2.gz CWAXOFAJXUUKND-SSDOTTSWSA-N -1 3 286.278 1.772 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CCCCO2)c([O-])c1O ZINC000271265752 364979701 /nfs/dbraw/zinc/97/97/01/364979701.db2.gz KNYBJGNWRAPDQF-JTQLQIEISA-N -1 3 265.309 1.705 20 10 CDCDHM CN(C)C(=O)[C@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000272267442 365162657 /nfs/dbraw/zinc/16/26/57/365162657.db2.gz KVBIPEUHYPQHDQ-GFCCVEGCSA-N -1 3 266.316 1.584 20 10 CDCDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cc(F)ccc1[O-] ZINC000272289812 365174787 /nfs/dbraw/zinc/17/47/87/365174787.db2.gz NZBSDUOICZCKHL-CLFVBBPSSA-N -1 3 271.357 1.873 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000193135046 365277645 /nfs/dbraw/zinc/27/76/45/365277645.db2.gz SGPIDMVQZJLRJR-VIFPVBQESA-N -1 3 265.309 1.643 20 10 CDCDHM Cc1ccc([C@@H](O)CNC(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000272777807 365394360 /nfs/dbraw/zinc/39/43/60/365394360.db2.gz UNQFNIGCSYXQKR-NSHDSACASA-N -1 3 291.303 1.771 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)c([O-])c1O ZINC000272745689 365379042 /nfs/dbraw/zinc/37/90/42/365379042.db2.gz NALIIJSJVLAKFB-NXEZZACHSA-N -1 3 265.309 1.561 20 10 CDCDHM CN(CCN(C)C1CC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000294885567 371102189 /nfs/dbraw/zinc/10/21/89/371102189.db2.gz CKFYFQMPUIBHKS-UHFFFAOYSA-N -1 3 282.315 1.403 20 10 CDCDHM CN(CC(=O)NC1CC1)Cc1c([O-])cccc1Cl ZINC000120349947 390868804 /nfs/dbraw/zinc/86/88/04/390868804.db2.gz FJHLGEDSWWHQJI-UHFFFAOYSA-N -1 3 268.744 1.756 20 10 CDCDHM CC[C@H]1C(=O)NCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000106361395 391088002 /nfs/dbraw/zinc/08/80/02/391088002.db2.gz QHAWWGNKRWLJCM-ZDUSSCGKSA-N -1 3 294.326 1.444 20 10 CDCDHM CC(=O)N1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC000160218871 391223207 /nfs/dbraw/zinc/22/32/07/391223207.db2.gz ICQWJOWBFSWGAS-UHFFFAOYSA-N -1 3 266.316 1.586 20 10 CDCDHM C[C@H](O)CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000275163774 391345012 /nfs/dbraw/zinc/34/50/12/391345012.db2.gz ZOJAHXVUFZOPRZ-NSHDSACASA-N -1 3 284.787 1.544 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H](n3cncn3)C2)c([O-])c1O ZINC000364478171 391380801 /nfs/dbraw/zinc/38/08/01/391380801.db2.gz TVWQFRGVSFHGLZ-SNVBAGLBSA-N -1 3 288.307 1.085 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1C[C@H](F)C[C@H]1CO ZINC000372638948 391859495 /nfs/dbraw/zinc/85/94/95/391859495.db2.gz LBVWTWIPKSERLN-MNOVXSKESA-N -1 3 259.708 1.950 20 10 CDCDHM Cc1nn(C)c(C)c1CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182527369 261941763 /nfs/dbraw/zinc/94/17/63/261941763.db2.gz PPGUALFWARCRPN-UHFFFAOYSA-N -1 3 289.335 1.687 20 10 CDCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@@]1(CO)CCOC1 ZINC000184194785 262272367 /nfs/dbraw/zinc/27/23/67/262272367.db2.gz PXSNYQGEXMGEHL-GFCCVEGCSA-N -1 3 292.162 1.940 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CSCCS2)c([O-])c1O ZINC000272546630 263006115 /nfs/dbraw/zinc/00/61/15/263006115.db2.gz ACDYCFIQGOWTME-SECBINFHSA-N -1 3 299.417 1.985 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2COC[C@H]2O)c1[O-] ZINC000285709136 278243860 /nfs/dbraw/zinc/24/38/60/278243860.db2.gz WGSNZPDCSFPTEK-CHWSQXEVSA-N -1 3 299.754 1.440 20 10 CDCDHM COC[C@H](CO)N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000290224392 293113298 /nfs/dbraw/zinc/11/32/98/293113298.db2.gz RCUZQCPEJZDFDE-SFYZADRCSA-N -1 3 261.268 1.328 20 10 CDCDHM COC(C)(C)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591314734 1173602111 /nfs/dbraw/zinc/60/21/11/1173602111.db2.gz REAJKJSWDVRIHT-VIFPVBQESA-N -1 3 291.355 1.648 20 10 CDCDHM O=[N+]([O-])c1cnn(CCNCc2c([O-])cccc2Cl)c1 ZINC000151265387 327547796 /nfs/dbraw/zinc/54/77/96/327547796.db2.gz XEPKBFPRPWRNPL-UHFFFAOYSA-N -1 3 296.714 1.940 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(CCO)CC(F)F)c1[O-] ZINC000194837819 331063260 /nfs/dbraw/zinc/06/32/60/331063260.db2.gz QUHYQZLVJYQXOH-UHFFFAOYSA-N -1 3 291.269 1.793 20 10 CDCDHM [O-]c1cccc(Cl)c1CNC[C@@H]1COCCN1 ZINC000530180628 333527197 /nfs/dbraw/zinc/52/71/97/333527197.db2.gz DMGZCFDWXDDLIM-SECBINFHSA-N -1 3 256.733 1.124 20 10 CDCDHM COc1c([O-])c(CN2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000278178526 521872176 /nfs/dbraw/zinc/87/21/76/521872176.db2.gz GOQQJHAMVSVVRG-NSHDSACASA-N -1 3 296.323 1.920 20 10 CDCDHM COc1c([O-])c(CN2CC[C@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000278286787 521876280 /nfs/dbraw/zinc/87/62/80/521876280.db2.gz ULRWVGWNICREGD-ZDUSSCGKSA-N -1 3 282.296 1.266 20 10 CDCDHM COC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCO1 ZINC000079463823 522870607 /nfs/dbraw/zinc/87/06/07/522870607.db2.gz RXWJHYMCFSGDDO-CYBMUJFWSA-N -1 3 297.326 1.581 20 10 CDCDHM CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000290296315 524009587 /nfs/dbraw/zinc/00/95/87/524009587.db2.gz YJCFYBOYPUYVBH-GGVZMXCHSA-N -1 3 273.279 1.735 20 10 CDCDHM C[C@H]1C[C@H](CNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279877386 524897045 /nfs/dbraw/zinc/89/70/45/524897045.db2.gz RKMSVPDFOVIYGO-VHSXEESVSA-N -1 3 265.309 1.643 20 10 CDCDHM C[C@H]1C[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000049249462 524956461 /nfs/dbraw/zinc/95/64/61/524956461.db2.gz PWTMHOWATNMLRC-IUCAKERBSA-N -1 3 298.364 1.150 20 10 CDCDHM O=C1NC[C@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC000156062702 527077414 /nfs/dbraw/zinc/07/74/14/527077414.db2.gz CHOOSIFWYAMBEY-NSHDSACASA-N -1 3 281.743 1.255 20 10 CDCDHM Cn1nc(NC(=O)c2cccc(O)c2[O-])cc1C1CC1 ZINC000290971797 527556794 /nfs/dbraw/zinc/55/67/94/527556794.db2.gz QVYLVGHUQJTLSF-UHFFFAOYSA-N -1 3 273.292 1.961 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000750538395 574602018 /nfs/dbraw/zinc/60/20/18/574602018.db2.gz HJTTWHCXBRADLE-ZJUUUORDSA-N -1 3 267.350 1.952 20 10 CDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CC[S@](=O)C1 ZINC000762924153 575015854 /nfs/dbraw/zinc/01/58/54/575015854.db2.gz YKLFCJRGATUDFD-QPFGOUBPSA-N -1 3 273.379 1.294 20 10 CDCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)Cn1cccn1 ZINC000731871521 575067135 /nfs/dbraw/zinc/06/71/35/575067135.db2.gz HLMCGWIRMGIXEJ-VIFPVBQESA-N -1 3 265.338 1.716 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(c2nccs2)CC1 ZINC000731866724 575068404 /nfs/dbraw/zinc/06/84/04/575068404.db2.gz XCCZCPVLTOVLJO-UHFFFAOYSA-N -1 3 295.389 1.873 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)NC1CCCC1 ZINC000731912247 575070381 /nfs/dbraw/zinc/07/03/81/575070381.db2.gz RRZKTCHFXIVCSC-UHFFFAOYSA-N -1 3 269.322 1.669 20 10 CDCDHM NC(=O)c1cccc(CCNC(=O)c2cc([O-])cs2)c1 ZINC000732283269 575086773 /nfs/dbraw/zinc/08/67/73/575086773.db2.gz UPCCNPKXZYUDBA-UHFFFAOYSA-N -1 3 290.344 1.525 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCOC2(CCOCC2)CC1 ZINC000769652172 575367574 /nfs/dbraw/zinc/36/75/74/575367574.db2.gz COBQAQBRJILBLC-UHFFFAOYSA-N -1 3 297.376 1.865 20 10 CDCDHM CO[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)C1(C)C ZINC000753341869 577162140 /nfs/dbraw/zinc/16/21/40/577162140.db2.gz NJCXMJQFJVLLMS-UWVGGRQHSA-N -1 3 255.339 1.997 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CCc2nncn2CC1 ZINC001142509009 1160689259 /nfs/dbraw/zinc/68/92/59/1160689259.db2.gz SWSQHAOJHCAMSA-UHFFFAOYSA-N -1 3 280.278 1.320 20 10 CDCDHM C[C@@H]([NH2+]Cc1cncn1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603670349 1175591910 /nfs/dbraw/zinc/59/19/10/1175591910.db2.gz FICYKYLEEBQKBW-SECBINFHSA-N -1 3 299.338 1.157 20 10 CDCDHM CN(C)Cc1cnc(C=C2SC(=S)[N-]C2=O)s1 ZINC000794689421 754200662 /nfs/dbraw/zinc/20/06/62/754200662.db2.gz BOROLFRSLOIFSZ-CLTKARDFSA-N -1 3 285.419 1.694 20 10 CDCDHM COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000886367915 754374551 /nfs/dbraw/zinc/37/45/51/754374551.db2.gz UFYALQXDAAFVJQ-NXEZZACHSA-N -1 3 293.319 1.512 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1noc(C(F)F)n1 ZINC000819573533 754606763 /nfs/dbraw/zinc/60/67/63/754606763.db2.gz QRNHGXXSNXJSFC-YFKPBYRVSA-N -1 3 299.233 1.909 20 10 CDCDHM COC1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000707453674 754919819 /nfs/dbraw/zinc/91/98/19/754919819.db2.gz BPSOEVBOACCXJN-UHFFFAOYSA-N -1 3 265.309 1.785 20 10 CDCDHM O=S(=O)([N-]Cc1ccccc1O)c1ccco1 ZINC000782469042 755389358 /nfs/dbraw/zinc/38/93/58/755389358.db2.gz WUVWCRRAUBLHTO-UHFFFAOYSA-N -1 3 253.279 1.464 20 10 CDCDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000790709833 755540200 /nfs/dbraw/zinc/54/02/00/755540200.db2.gz VSVMMGJJXDGGPA-QMMMGPOBSA-N -1 3 279.214 1.405 20 10 CDCDHM CON(C)C(=O)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000397524794 755956628 /nfs/dbraw/zinc/95/66/28/755956628.db2.gz PDMRSNPXFQSPHO-UHFFFAOYSA-N -1 3 293.150 1.808 20 10 CDCDHM C[C@H](NCC(=O)N1CCOCC1)c1c([O-])cccc1F ZINC000886562303 756502138 /nfs/dbraw/zinc/50/21/38/756502138.db2.gz WFDDGHDBENLDIY-JTQLQIEISA-N -1 3 282.315 1.041 20 10 CDCDHM NC(=O)[C@H]1CCCN1Cc1ccc(Br)cc1[O-] ZINC000826063938 757275587 /nfs/dbraw/zinc/27/55/87/757275587.db2.gz ASNYAIAMPUIXID-SNVBAGLBSA-N -1 3 299.168 1.604 20 10 CDCDHM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000836810308 757456825 /nfs/dbraw/zinc/45/68/25/757456825.db2.gz ABLXRPMIKMNJIU-SCZZXKLOSA-N -1 3 279.292 1.169 20 10 CDCDHM CC(C)[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000848640407 758286588 /nfs/dbraw/zinc/28/65/88/758286588.db2.gz RFQFVAWRMNOMFZ-LLVKDONJSA-N -1 3 255.289 1.978 20 10 CDCDHM Cn1ncnc1CNCc1cccc(Br)c1[O-] ZINC000389319921 758649503 /nfs/dbraw/zinc/64/95/03/758649503.db2.gz FDYFCVJNVRXARR-UHFFFAOYSA-N -1 3 297.156 1.573 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCO[C@]2(CCOC2)C1 ZINC001137832655 936418105 /nfs/dbraw/zinc/41/81/05/936418105.db2.gz CJCUXKXOFCGRHR-CQSZACIVSA-N -1 3 267.300 1.523 20 10 CDCDHM CCNC(=O)CN(C)Cc1ccc(Cl)cc1[O-] ZINC001140461926 936712685 /nfs/dbraw/zinc/71/26/85/936712685.db2.gz YQDDJOIJOLUGJC-UHFFFAOYSA-N -1 3 256.733 1.614 20 10 CDCDHM [O-]c1c(O)cc(-c2nnc(C3CCOCC3)o2)cc1O ZINC001255643902 936738315 /nfs/dbraw/zinc/73/83/15/936738315.db2.gz JOSWBYFHGXHLIN-UHFFFAOYSA-N -1 3 278.264 1.747 20 10 CDCDHM CC(C)(C)N1CC(NC(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193247427 923563876 /nfs/dbraw/zinc/56/38/76/923563876.db2.gz YTOJCNVOFKJXGX-UHFFFAOYSA-N -1 3 298.770 1.964 20 10 CDCDHM CN(C)C(=O)C1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524891 937027715 /nfs/dbraw/zinc/02/77/15/937027715.db2.gz OQGQSJAEJAMZQR-UHFFFAOYSA-N -1 3 270.279 1.190 20 10 CDCDHM C[C@@]1(CO)CN(Cc2c([O-])c(F)ccc2F)CC[C@H]1O ZINC001139684708 937421375 /nfs/dbraw/zinc/42/13/75/937421375.db2.gz KKVLCJGFIJXZMF-OCCSQVGLSA-N -1 3 287.306 1.236 20 10 CDCDHM CCc1cc2ncc(NC(=O)c3cccc(O)c3[O-])cn2n1 ZINC001148212201 932668806 /nfs/dbraw/zinc/66/88/06/932668806.db2.gz QNWRNUDKHPHLDD-UHFFFAOYSA-N -1 3 298.302 1.955 20 10 CDCDHM C[C@H]1C[C@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@H]2O1 ZINC001148213655 932668930 /nfs/dbraw/zinc/66/89/30/932668930.db2.gz IURGZAAJYOPSKY-OUJBWJOFSA-N -1 3 277.320 1.737 20 10 CDCDHM Nc1cc(Cl)cnc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582115 932751163 /nfs/dbraw/zinc/75/11/63/932751163.db2.gz XLDOBTPKMMHQDQ-UHFFFAOYSA-N -1 3 295.682 1.686 20 10 CDCDHM CCc1nccnc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581677 932751670 /nfs/dbraw/zinc/75/16/70/932751670.db2.gz RIRAWAJTBWCKBZ-UHFFFAOYSA-N -1 3 275.264 1.408 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c([O-])c1 ZINC001231452084 942895874 /nfs/dbraw/zinc/89/58/74/942895874.db2.gz ADOWBEAJEHEKRV-HNNXBMFYSA-N -1 3 277.320 1.845 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@]23CCOC3)c([O-])c1 ZINC001231452084 942895876 /nfs/dbraw/zinc/89/58/76/942895876.db2.gz ADOWBEAJEHEKRV-HNNXBMFYSA-N -1 3 277.320 1.845 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c([O-])c1 ZINC001231452157 942896330 /nfs/dbraw/zinc/89/63/30/942896330.db2.gz BWCWYOUKKCOKIQ-OAHLLOKOSA-N -1 3 277.320 1.845 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c([O-])c1 ZINC001231452157 942896332 /nfs/dbraw/zinc/89/63/32/942896332.db2.gz BWCWYOUKKCOKIQ-OAHLLOKOSA-N -1 3 277.320 1.845 20 10 CDCDHM CN1CCC[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231454286 942898199 /nfs/dbraw/zinc/89/81/99/942898199.db2.gz PKKYFEHSPRLIAD-OCCSQVGLSA-N -1 3 290.363 1.616 20 10 CDCDHM CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231454286 942898200 /nfs/dbraw/zinc/89/82/00/942898200.db2.gz PKKYFEHSPRLIAD-OCCSQVGLSA-N -1 3 290.363 1.616 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001231560753 942925129 /nfs/dbraw/zinc/92/51/29/942925129.db2.gz LPBYOMIUMZNMOF-YPMHNXCESA-N -1 3 277.320 1.559 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001231560753 942925133 /nfs/dbraw/zinc/92/51/33/942925133.db2.gz LPBYOMIUMZNMOF-YPMHNXCESA-N -1 3 277.320 1.559 20 10 CDCDHM C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560473 942926823 /nfs/dbraw/zinc/92/68/23/942926823.db2.gz IZZUNNXGXLTZNJ-WDEREUQCSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560473 942926826 /nfs/dbraw/zinc/92/68/26/942926826.db2.gz IZZUNNXGXLTZNJ-WDEREUQCSA-N -1 3 279.336 1.683 20 10 CDCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H](O)[C@H](CO)C1 ZINC001236792063 944569961 /nfs/dbraw/zinc/56/99/61/944569961.db2.gz AYRNGDOKDACGBJ-QPUJVOFHSA-N -1 3 292.162 1.484 20 10 CDCDHM COc1ccc(CN2CC[C@@H](NC(C)=O)C2)c([O-])c1Cl ZINC001236806555 944573461 /nfs/dbraw/zinc/57/34/61/944573461.db2.gz BSGHRNUJTAIOPQ-LLVKDONJSA-N -1 3 298.770 1.765 20 10 CDCDHM [O-]c1cc(Cl)c(F)cc1CN1CCc2nncn2CC1 ZINC001237935253 945010619 /nfs/dbraw/zinc/01/06/19/945010619.db2.gz TZZPEDUVCBNAIK-UHFFFAOYSA-N -1 3 296.733 1.835 20 10 CDCDHM CCCN(Cc1ccccc1O)C(=O)c1cc(=O)[n-]cn1 ZINC001330213100 956331417 /nfs/dbraw/zinc/33/14/17/956331417.db2.gz FYEPHALMOBGZCK-UHFFFAOYSA-N -1 3 287.319 1.940 20 10 CDCDHM COC(=O)c1cncc(NCc2c([O-])cccc2F)n1 ZINC001307214818 956377990 /nfs/dbraw/zinc/37/79/90/956377990.db2.gz UUZVLIMHJOUDAL-UHFFFAOYSA-N -1 3 277.255 1.720 20 10 CDCDHM CCc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1C ZINC001321436722 959785342 /nfs/dbraw/zinc/78/53/42/959785342.db2.gz AGHQMTLNTSDSLJ-UHFFFAOYSA-N -1 3 261.281 1.944 20 10 CDCDHM C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246818 994459109 /nfs/dbraw/zinc/45/91/09/994459109.db2.gz CRXAFZKHPHUGRL-RFAUZJTJSA-N -1 3 292.335 1.410 20 10 CDCDHM C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257896 994538444 /nfs/dbraw/zinc/53/84/44/994538444.db2.gz VERBYJHCMCAQRX-ONGXEEELSA-N -1 3 281.308 1.156 20 10 CDCDHM CO[C@H](C)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599325397 997654132 /nfs/dbraw/zinc/65/41/32/997654132.db2.gz YBCVRIBCIZRDIP-BDAKNGLRSA-N -1 3 253.298 1.776 20 10 CDCDHM C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594260685 999005331 /nfs/dbraw/zinc/00/53/31/999005331.db2.gz FHCNICLUHMYTDY-YWVKMMECSA-N -1 3 265.309 1.918 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](C)O)c([O-])c1O ZINC000274411870 365655682 /nfs/dbraw/zinc/65/56/82/365655682.db2.gz MKZYUYJUYKBZBE-MNOVXSKESA-N -1 3 295.335 1.018 20 10 CDCDHM Cc1nccn1CCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000187200737 357740574 /nfs/dbraw/zinc/74/05/74/357740574.db2.gz GWSBSVUBQFCQQO-UHFFFAOYSA-N -1 3 289.335 1.765 20 10 CDCDHM COC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000267634545 363863714 /nfs/dbraw/zinc/86/37/14/363863714.db2.gz XWZMGUBPOITTDF-JTQLQIEISA-N -1 3 281.308 1.334 20 10 CDCDHM Cc1ccc(C(=O)N(C)Cc2nccn2C)c([O-])c1O ZINC000271272328 364979945 /nfs/dbraw/zinc/97/99/45/364979945.db2.gz MEAQLBRLUDGQLB-UHFFFAOYSA-N -1 3 275.308 1.412 20 10 CDCDHM CCC[C@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272727704 365368200 /nfs/dbraw/zinc/36/82/00/365368200.db2.gz JFCBAENFPOQBEV-VIFPVBQESA-N -1 3 253.298 1.297 20 10 CDCDHM C[C@@H](O)CN1CCN(Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000281129859 367593774 /nfs/dbraw/zinc/59/37/74/367593774.db2.gz YEKPLKSSWVHKDE-VXGBXAGGSA-N -1 3 298.814 1.933 20 10 CDCDHM COC(=O)[C@]1(C)CN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000282032976 367713433 /nfs/dbraw/zinc/71/34/33/367713433.db2.gz BCEASIFEVWRWRJ-RFAUZJTJSA-N -1 3 293.319 1.369 20 10 CDCDHM CCCN(Cc1cc(F)ccc1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000282843041 368064249 /nfs/dbraw/zinc/06/42/49/368064249.db2.gz CVHUWZBHUIGSIX-LBPRGKRZSA-N -1 3 294.326 1.501 20 10 CDCDHM C[C@H](NCc1c([O-])cccc1Cl)C(=O)NCCF ZINC000282734154 368013200 /nfs/dbraw/zinc/01/32/00/368013200.db2.gz RDIZHVAIYZETTK-QMMMGPOBSA-N -1 3 274.723 1.609 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285795916 368659063 /nfs/dbraw/zinc/65/90/63/368659063.db2.gz MGFWEGGEOCPJBY-YPMHNXCESA-N -1 3 277.320 1.881 20 10 CDCDHM Cn1nncc1CNCc1c([O-])cccc1Cl ZINC000288510784 370200689 /nfs/dbraw/zinc/20/06/89/370200689.db2.gz SXPCDPVIPKLTNU-UHFFFAOYSA-N -1 3 252.705 1.464 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@@H]2CF)c([O-])c1O ZINC000294499273 371065101 /nfs/dbraw/zinc/06/51/01/371065101.db2.gz XWZDSUQCZWSUEU-SECBINFHSA-N -1 3 253.273 1.980 20 10 CDCDHM C[C@@H](N(C)C(=O)c1cccc(O)c1[O-])C(C)(C)O ZINC000296756516 371445054 /nfs/dbraw/zinc/44/50/54/371445054.db2.gz CKCMOPJCECHUHB-MRVPVSSYSA-N -1 3 253.298 1.329 20 10 CDCDHM CCCOc1ccc(CN2CC(NC(C)=O)C2)c([O-])c1 ZINC000297497896 371996838 /nfs/dbraw/zinc/99/68/38/371996838.db2.gz UTPKEFHYSOJCAJ-UHFFFAOYSA-N -1 3 278.352 1.501 20 10 CDCDHM COC[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179496934 391208517 /nfs/dbraw/zinc/20/85/17/391208517.db2.gz ZHVOHEJVBKXZJX-NSHDSACASA-N -1 3 279.336 1.905 20 10 CDCDHM O=C(N[C@@H]1COc2ccccc2C1)c1cccc(O)c1[O-] ZINC000188188028 391277805 /nfs/dbraw/zinc/27/78/05/391277805.db2.gz DVJSNTMQRKIRTB-NSHDSACASA-N -1 3 285.299 1.831 20 10 CDCDHM CCN(Cc1cc(F)ccc1[O-])[C@@H]1CCNC1=O ZINC000281905229 391422915 /nfs/dbraw/zinc/42/29/15/391422915.db2.gz ZMFUMJBOZDXVHP-LLVKDONJSA-N -1 3 252.289 1.242 20 10 CDCDHM CC(=O)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC001588781687 1173105463 /nfs/dbraw/zinc/10/54/63/1173105463.db2.gz JFLRLLVQRGATEA-UHFFFAOYSA-N -1 3 280.284 1.256 20 10 CDCDHM CC(=O)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC001588781687 1173105471 /nfs/dbraw/zinc/10/54/71/1173105471.db2.gz JFLRLLVQRGATEA-UHFFFAOYSA-N -1 3 280.284 1.256 20 10 CDCDHM CC(C)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126265191 260347360 /nfs/dbraw/zinc/34/73/60/260347360.db2.gz BZGXCPCSSULUNJ-UHFFFAOYSA-N -1 3 264.325 1.264 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)c([O-])c1O ZINC000182841235 261952852 /nfs/dbraw/zinc/95/28/52/261952852.db2.gz YBYWOPUNLVCUTP-GHMZBOCLSA-N -1 3 265.309 1.440 20 10 CDCDHM Cc1cc(C)n(CCCNC(=O)c2cccc(O)c2[O-])n1 ZINC000186822987 262325593 /nfs/dbraw/zinc/32/55/93/262325593.db2.gz VKRMJBVHNJMGHP-UHFFFAOYSA-N -1 3 289.335 1.731 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(n2cccn2)CC1 ZINC000370119004 267292137 /nfs/dbraw/zinc/29/21/37/267292137.db2.gz FACBMYSIZIFFDE-UHFFFAOYSA-N -1 3 287.319 1.772 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C)c1[O-] ZINC000037323409 277106037 /nfs/dbraw/zinc/10/60/37/277106037.db2.gz SQTQMNBMMJGMJE-SECBINFHSA-N -1 3 267.300 1.955 20 10 CDCDHM CC(=O)NC1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000280748589 328236506 /nfs/dbraw/zinc/23/65/06/328236506.db2.gz XAEZIZFQEPZAJJ-UHFFFAOYSA-N -1 3 292.335 1.275 20 10 CDCDHM COC(=O)CCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000085204669 523107725 /nfs/dbraw/zinc/10/77/25/523107725.db2.gz MYBVZCKVLIXXQC-UHFFFAOYSA-N -1 3 293.728 1.350 20 10 CDCDHM O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cccc(O)c1[O-] ZINC000193164478 527060400 /nfs/dbraw/zinc/06/04/00/527060400.db2.gz GKFLKORRCNLQEN-GWCFXTLKSA-N -1 3 277.320 1.785 20 10 CDCDHM O=C1NC[C@@]2(CCCN(Cc3cccc(F)c3[O-])C2)O1 ZINC000364882543 527078033 /nfs/dbraw/zinc/07/80/33/527078033.db2.gz BFGUVBFIWIHRAL-CQSZACIVSA-N -1 3 280.299 1.606 20 10 CDCDHM Cc1nn(C)cc1CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000274786056 527692820 /nfs/dbraw/zinc/69/28/20/527692820.db2.gz MCDGZMZRXSGHDO-UHFFFAOYSA-N -1 3 275.308 1.378 20 10 CDCDHM CC(C)[C@@H](CNC(=O)c1cc([O-])cs1)N1CCOCC1 ZINC000731867446 575068476 /nfs/dbraw/zinc/06/84/76/575068476.db2.gz KRDYRXIGNRFAOC-GFCCVEGCSA-N -1 3 298.408 1.540 20 10 CDCDHM NC(=O)c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732266762 575084753 /nfs/dbraw/zinc/08/47/53/575084753.db2.gz KLXJLNVWIDUGEK-UHFFFAOYSA-N -1 3 262.290 1.805 20 10 CDCDHM CC(=O)NC[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732278293 575086128 /nfs/dbraw/zinc/08/61/28/575086128.db2.gz GSYMIFCAYDLQMA-SNVBAGLBSA-N -1 3 282.365 1.442 20 10 CDCDHM CC(=O)NC1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732282517 575086551 /nfs/dbraw/zinc/08/65/51/575086551.db2.gz PPUZZAZGPCHPMX-UHFFFAOYSA-N -1 3 282.365 1.631 20 10 CDCDHM COCCn1ccc(NC(=O)c2cc([O-])cs2)n1 ZINC000732281967 575086583 /nfs/dbraw/zinc/08/65/83/575086583.db2.gz HIZPGVRBYUBEDL-UHFFFAOYSA-N -1 3 267.310 1.549 20 10 CDCDHM CCOc1ccc(CN2CCN(C(=O)NC)CC2)c([O-])c1 ZINC000769499991 575353152 /nfs/dbraw/zinc/35/31/52/575353152.db2.gz YZHWFZNJOGGXNW-UHFFFAOYSA-N -1 3 293.367 1.248 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000768374660 576276394 /nfs/dbraw/zinc/27/63/94/576276394.db2.gz KONFBDAYVUUPGJ-GXSJLCMTSA-N -1 3 285.390 1.800 20 10 CDCDHM CC(C)(O)C1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894977861 619175820 /nfs/dbraw/zinc/17/58/20/619175820.db2.gz YJQHCNPBQIWDCZ-UHFFFAOYSA-N -1 3 257.280 1.873 20 10 CDCDHM COC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605129766 1163460849 /nfs/dbraw/zinc/46/08/49/1163460849.db2.gz VHWRUXDEOORLQI-IUCAKERBSA-N -1 3 277.328 1.258 20 10 CDCDHM CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959848 1173211069 /nfs/dbraw/zinc/21/10/69/1173211069.db2.gz VZLVIDWYGJQTOW-CABZTGNLSA-N -1 3 291.355 1.240 20 10 CDCDHM CC[C@H]([NH2+]C/C=C/CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467356 1173418464 /nfs/dbraw/zinc/41/84/64/1173418464.db2.gz PSVBLJFCMNRJTO-PCAWENJQSA-N -1 3 289.339 1.162 20 10 CDCDHM C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603495181 1175559656 /nfs/dbraw/zinc/55/96/56/1175559656.db2.gz IJKJFOQDLSQTMI-UWVGGRQHSA-N -1 3 291.355 1.241 20 10 CDCDHM CC(C)(O)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000185877103 759025495 /nfs/dbraw/zinc/02/54/95/759025495.db2.gz OKHVVAZWWXBTNA-LLVKDONJSA-N -1 3 265.309 1.473 20 10 CDCDHM O=C(N[C@@H](CCO)c1ccco1)c1cccc(O)c1[O-] ZINC000193166391 771721210 /nfs/dbraw/zinc/72/12/10/771721210.db2.gz FAOVCRFYKADXAR-JTQLQIEISA-N -1 3 277.276 1.544 20 10 CDCDHM NC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775638171 771925685 /nfs/dbraw/zinc/92/56/85/771925685.db2.gz BUZARZQAPXSTNN-UHFFFAOYSA-N -1 3 286.734 1.882 20 10 CDCDHM CN1CCN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000127349818 772157258 /nfs/dbraw/zinc/15/72/58/772157258.db2.gz ZCCIMIXUEHJJKE-UHFFFAOYSA-N -1 3 254.717 1.320 20 10 CDCDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000126452730 772565412 /nfs/dbraw/zinc/56/54/12/772565412.db2.gz FOPIPYXSZUVZBJ-JTQLQIEISA-N -1 3 253.298 1.499 20 10 CDCDHM O=C(NC[C@]12C[C@H]1COC21CCC1)c1cccc(O)c1[O-] ZINC000890171970 772647513 /nfs/dbraw/zinc/64/75/13/772647513.db2.gz GAUUOCBEIVYLOH-ZUZCIYMTSA-N -1 3 289.331 1.787 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCN2CC(F)(F)C[C@H]2C1 ZINC000843913270 772926722 /nfs/dbraw/zinc/92/67/22/772926722.db2.gz DQZULSQWXDHSQP-VIFPVBQESA-N -1 3 298.289 1.263 20 10 CDCDHM O=C(NCCc1nccs1)c1cccc(O)c1[O-] ZINC000126406061 773047169 /nfs/dbraw/zinc/04/71/69/773047169.db2.gz UDBMZRLWIOAQRT-UHFFFAOYSA-N -1 3 264.306 1.527 20 10 CDCDHM CC(C)OC(=O)[C@H](C)NCc1cc(F)ccc1[O-] ZINC000825118188 773156302 /nfs/dbraw/zinc/15/63/02/773156302.db2.gz QGBHZTLWUGKDJF-VIFPVBQESA-N -1 3 255.289 1.961 20 10 CDCDHM CN1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H](CO)C1 ZINC000877644940 773206493 /nfs/dbraw/zinc/20/64/93/773206493.db2.gz WNEMEOCZDXZZLS-VIFPVBQESA-N -1 3 288.750 1.293 20 10 CDCDHM CN(C)Cc1cnc(C=C2SC(=S)[N-]C2=O)s1 ZINC000794689424 773397710 /nfs/dbraw/zinc/39/77/10/773397710.db2.gz BOROLFRSLOIFSZ-XVNBXDOJSA-N -1 3 285.419 1.694 20 10 CDCDHM CCC(=O)c1cn(Cc2cc(F)cc(C(C)=O)c2[O-])nn1 ZINC000880996412 773685870 /nfs/dbraw/zinc/68/58/70/773685870.db2.gz VEZSUZIFBRMPEM-UHFFFAOYSA-N -1 3 291.282 1.966 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001138123679 936473981 /nfs/dbraw/zinc/47/39/81/936473981.db2.gz GPMNMGKQNVLEBD-ZLKJLUDKSA-N -1 3 281.327 1.503 20 10 CDCDHM NCc1ncccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247523 923565025 /nfs/dbraw/zinc/56/50/25/923565025.db2.gz ZBJGLHAVAYCLLS-UHFFFAOYSA-N -1 3 293.710 1.857 20 10 CDCDHM CN(C1CN(Cc2cc(F)c(F)cc2[O-])C1)[C@H]1CCOC1 ZINC001142524769 937027384 /nfs/dbraw/zinc/02/73/84/937027384.db2.gz JQJWHTBUNJFQAH-NSHDSACASA-N -1 3 298.333 1.575 20 10 CDCDHM C[C@H]1C[C@@H](CF)N(C(=O)c2cccc(O)c2[O-])C1 ZINC001148212366 932667795 /nfs/dbraw/zinc/66/77/95/932667795.db2.gz YJMAPKRWEUODNX-IUCAKERBSA-N -1 3 253.273 1.918 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](F)C(=O)C1 ZINC001148212292 932667960 /nfs/dbraw/zinc/66/79/60/932667960.db2.gz WBDDZPOPACWURI-SECBINFHSA-N -1 3 267.256 1.241 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCC(=O)[C@H](F)C1 ZINC001148212193 932669043 /nfs/dbraw/zinc/66/90/43/932669043.db2.gz QGTLORQOJASCGW-SECBINFHSA-N -1 3 267.256 1.241 20 10 CDCDHM CO[C@@H](C)C1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148218646 932670263 /nfs/dbraw/zinc/67/02/63/932670263.db2.gz JKDHZUUZBQCJQN-QMMMGPOBSA-N -1 3 251.282 1.205 20 10 CDCDHM COC(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])[nH]1 ZINC001148224369 932672110 /nfs/dbraw/zinc/67/21/10/932672110.db2.gz IUEIQKPRMGAXAZ-UHFFFAOYSA-N -1 3 290.275 1.143 20 10 CDCDHM O=C(NC[C@H]1C(=O)Nc2ccccc21)c1cccc(O)c1[O-] ZINC001148225240 932673871 /nfs/dbraw/zinc/67/38/71/932673871.db2.gz HGKAURITFUINPR-LLVKDONJSA-N -1 3 298.298 1.564 20 10 CDCDHM O=C(NCOc1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC001148589874 932754158 /nfs/dbraw/zinc/75/41/58/932754158.db2.gz OQCAAMMKBXWJHU-UHFFFAOYSA-N -1 3 275.260 1.570 20 10 CDCDHM CC1(C)C[C@H](CNC(=O)c2cc(O)c([O-])c(O)c2)O1 ZINC001148589935 932754520 /nfs/dbraw/zinc/75/45/20/932754520.db2.gz RFYGLWTXURQYSU-MRVPVSSYSA-N -1 3 267.281 1.101 20 10 CDCDHM C[C@]1(NC(=O)c2cc(O)c([O-])c(O)c2)CCCOC1 ZINC001148590071 932754964 /nfs/dbraw/zinc/75/49/64/932754964.db2.gz AQVRUCWRGNNARB-ZDUSSCGKSA-N -1 3 267.281 1.102 20 10 CDCDHM COC(=O)CCCCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589963 932755165 /nfs/dbraw/zinc/75/51/65/932755165.db2.gz SLPSBLHVDPBWPJ-UHFFFAOYSA-N -1 3 297.307 1.267 20 10 CDCDHM Nc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(CO)c1 ZINC001216142195 940924343 /nfs/dbraw/zinc/92/43/43/940924343.db2.gz VZRADDOYLZJYIV-UHFFFAOYSA-N -1 3 294.332 1.268 20 10 CDCDHM Cc1nc(NC(=O)Cc2ccc(N)cc2)cc(=O)[n-]1 ZINC001218564644 941238279 /nfs/dbraw/zinc/23/82/79/941238279.db2.gz JNVVGCGGQCLCHA-UHFFFAOYSA-N -1 3 258.281 1.254 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c([O-])c1 ZINC001231446838 942891500 /nfs/dbraw/zinc/89/15/00/942891500.db2.gz LOKHKYOBEFFWNA-NEPJUHHUSA-N -1 3 283.299 1.385 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c([O-])c1 ZINC001231446838 942891505 /nfs/dbraw/zinc/89/15/05/942891505.db2.gz LOKHKYOBEFFWNA-NEPJUHHUSA-N -1 3 283.299 1.385 20 10 CDCDHM C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447477 942893169 /nfs/dbraw/zinc/89/31/69/942893169.db2.gz VHPVRGRNSSMVIT-CABZTGNLSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447477 942893175 /nfs/dbraw/zinc/89/31/75/942893175.db2.gz VHPVRGRNSSMVIT-CABZTGNLSA-N -1 3 265.309 1.436 20 10 CDCDHM COC[C@@H]1CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453599 942895714 /nfs/dbraw/zinc/89/57/14/942895714.db2.gz MSRQAWUUMPJLQG-NSHDSACASA-N -1 3 251.282 1.311 20 10 CDCDHM COC[C@@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453599 942895718 /nfs/dbraw/zinc/89/57/18/942895718.db2.gz MSRQAWUUMPJLQG-NSHDSACASA-N -1 3 251.282 1.311 20 10 CDCDHM COCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C(C)C ZINC001231452400 942896137 /nfs/dbraw/zinc/89/61/37/942896137.db2.gz OMJOCMOPHJFEED-UHFFFAOYSA-N -1 3 267.325 1.947 20 10 CDCDHM COCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C(C)C ZINC001231452400 942896139 /nfs/dbraw/zinc/89/61/39/942896139.db2.gz OMJOCMOPHJFEED-UHFFFAOYSA-N -1 3 267.325 1.947 20 10 CDCDHM NC(=O)C1CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418297 943581343 /nfs/dbraw/zinc/58/13/43/943581343.db2.gz ARJQPXDQAFWTHX-UHFFFAOYSA-N -1 3 274.242 1.328 20 10 CDCDHM COC(=O)CN(CC(C)C)C(=O)c1cccc(O)c1[O-] ZINC001339537502 962411967 /nfs/dbraw/zinc/41/19/67/962411967.db2.gz VCTJRVSBFZZEJG-UHFFFAOYSA-N -1 3 281.308 1.369 20 10 CDCDHM C[C@H](CCO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592529377 978386267 /nfs/dbraw/zinc/38/62/67/978386267.db2.gz QDAYWGXEOPSKBQ-BDAKNGLRSA-N -1 3 253.298 1.512 20 10 CDCDHM CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001599326707 997677057 /nfs/dbraw/zinc/67/70/57/997677057.db2.gz WSPKFHRYPFAIJL-LSJOCFKGSA-N -1 3 265.309 1.918 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](n2cncn2)C1 ZINC000187076714 357724859 /nfs/dbraw/zinc/72/48/59/357724859.db2.gz PJUBIQKCNQIFKM-JTQLQIEISA-N -1 3 288.307 1.167 20 10 CDCDHM CCOC(C)(C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000188359304 357884678 /nfs/dbraw/zinc/88/46/78/357884678.db2.gz YRZZKSKNRDKIDJ-UHFFFAOYSA-N -1 3 267.325 1.951 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCOC[C@H](O)C1 ZINC000294835970 199205846 /nfs/dbraw/zinc/20/58/46/199205846.db2.gz QMLLZKMZZCDSMX-SNVBAGLBSA-N -1 3 257.717 1.239 20 10 CDCDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)N(C)C ZINC000276898507 299345032 /nfs/dbraw/zinc/34/50/32/299345032.db2.gz MZMMILWXDGWOOZ-IUCAKERBSA-N -1 3 281.312 1.428 20 10 CDCDHM CNC(=O)N1CCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000271888958 365004453 /nfs/dbraw/zinc/00/44/53/365004453.db2.gz WSBCXGHHGXXIQN-UHFFFAOYSA-N -1 3 297.786 1.811 20 10 CDCDHM CN(C)C(=O)[C@@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000272267446 365161951 /nfs/dbraw/zinc/16/19/51/365161951.db2.gz KVBIPEUHYPQHDQ-LBPRGKRZSA-N -1 3 266.316 1.584 20 10 CDCDHM Cc1ccc(C(=O)N[C@]2(C)CCOC2)c([O-])c1O ZINC000272706026 365358403 /nfs/dbraw/zinc/35/84/03/365358403.db2.gz CJTPMKQGEBZGKW-CYBMUJFWSA-N -1 3 251.282 1.315 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1O ZINC000272783048 365396704 /nfs/dbraw/zinc/39/67/04/365396704.db2.gz VLTWAILNHKPFNA-VIFPVBQESA-N -1 3 295.335 1.866 20 10 CDCDHM CCOC[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000529666802 368086979 /nfs/dbraw/zinc/08/69/79/368086979.db2.gz OEDUEMRESBQKHG-CYBMUJFWSA-N -1 3 251.326 1.630 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](c2ncon2)C(C)C)c([O-])c1O ZINC000286918711 369024997 /nfs/dbraw/zinc/02/49/97/369024997.db2.gz CPNOUQMVAHXRRN-JTQLQIEISA-N -1 3 291.307 1.916 20 10 CDCDHM CC(C)(C)OC(=O)C1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000295869184 378711115 /nfs/dbraw/zinc/71/11/15/378711115.db2.gz FODNRGZEAYFVOG-UHFFFAOYSA-N -1 3 293.319 1.512 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)CCCCO)c([O-])c1O ZINC000296418684 378729179 /nfs/dbraw/zinc/72/91/79/378729179.db2.gz XTQSBPXXEGOQHR-SNVBAGLBSA-N -1 3 267.325 1.687 20 10 CDCDHM CCN(CCC(=O)OC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000271294972 284873046 /nfs/dbraw/zinc/87/30/46/284873046.db2.gz RAINKOWVVWOQAW-UHFFFAOYSA-N -1 3 281.308 1.431 20 10 CDCDHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177677080 391174265 /nfs/dbraw/zinc/17/42/65/391174265.db2.gz OMZHSFGPVCHSAH-ZJUUUORDSA-N -1 3 294.351 1.439 20 10 CDCDHM O=C1OC[C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC000378344837 329046816 /nfs/dbraw/zinc/04/68/16/329046816.db2.gz DAMYFQIKNKKCHG-NSHDSACASA-N -1 3 282.727 1.682 20 10 CDCDHM O=C(NC[C@]1(O)CCc2ccccc21)c1cccc(O)c1[O-] ZINC000187201916 329354833 /nfs/dbraw/zinc/35/48/33/329354833.db2.gz CAGAWMAAFSKXMQ-QGZVFWFLSA-N -1 3 299.326 1.662 20 10 CDCDHM CC(C)CN1CCN(C(=O)c2cccc(O)c2[O-])CC1=O ZINC000275537213 519724543 /nfs/dbraw/zinc/72/45/43/519724543.db2.gz SUVQUDPQLHFSPO-UHFFFAOYSA-N -1 3 292.335 1.038 20 10 CDCDHM CCc1nnc([C@H](C)NC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000279854664 522449178 /nfs/dbraw/zinc/44/91/78/522449178.db2.gz PHQOYYGBLNIZRR-ZETCQYMHSA-N -1 3 276.296 1.269 20 10 CDCDHM COCCN(CCOC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000048895552 523719224 /nfs/dbraw/zinc/71/92/24/523719224.db2.gz ZYRJSZLSEYORJI-UHFFFAOYSA-N -1 3 299.342 1.829 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](C)CO1 ZINC000126258692 524872083 /nfs/dbraw/zinc/87/20/83/524872083.db2.gz PEHMQPPUCXUBQV-RKDXNWHRSA-N -1 3 251.282 1.347 20 10 CDCDHM C[C@H]1OCC[C@]12CN(C(=O)c1cccc(O)c1[O-])CCO2 ZINC000279853460 525056962 /nfs/dbraw/zinc/05/69/62/525056962.db2.gz FZPDKXRHXIAQJV-BMIGLBTASA-N -1 3 293.319 1.118 20 10 CDCDHM Cc1nnc([C@@H](C)NC(=O)c2cccc(O)c2[O-])s1 ZINC000280547896 526396032 /nfs/dbraw/zinc/39/60/32/526396032.db2.gz TVIHQTNBLWOYGM-ZCFIWIBFSA-N -1 3 279.321 1.749 20 10 CDCDHM Cc1nc(C(C)(C)NC(=O)c2cccc(O)c2[O-])no1 ZINC000298393970 526662451 /nfs/dbraw/zinc/66/24/51/526662451.db2.gz QFGLQUYFSZDLQR-UHFFFAOYSA-N -1 3 277.280 1.454 20 10 CDCDHM O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cccc(O)c1[O-] ZINC000365760070 526955394 /nfs/dbraw/zinc/95/53/94/526955394.db2.gz XHLUPUIGWBIXKF-SECBINFHSA-N -1 3 273.292 1.108 20 10 CDCDHM CCOC(=O)N1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000771742925 575607228 /nfs/dbraw/zinc/60/72/28/575607228.db2.gz GYNCHYJQSHLVFD-QMMMGPOBSA-N -1 3 284.337 1.414 20 10 CDCDHM NC(=O)[C@H](OC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731909632 575070345 /nfs/dbraw/zinc/07/03/45/575070345.db2.gz GXJDDOQCFZWOCV-LLVKDONJSA-N -1 3 277.301 1.837 20 10 CDCDHM O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc([O-])cs1 ZINC000732280682 575086653 /nfs/dbraw/zinc/08/66/53/575086653.db2.gz PDJYFMKODFXOCW-SSDOTTSWSA-N -1 3 294.298 1.820 20 10 CDCDHM CC[C@@H](C)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000732353023 575088125 /nfs/dbraw/zinc/08/81/25/575088125.db2.gz BLFQXJPOVLFQCL-SSDOTTSWSA-N -1 3 257.311 1.525 20 10 CDCDHM CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353527 575088166 /nfs/dbraw/zinc/08/81/66/575088166.db2.gz SMYXLSTYKTTWLD-SFYZADRCSA-N -1 3 271.338 1.914 20 10 CDCDHM CC(C)n1cnnc1CNC(=O)c1cc([O-])cs1 ZINC000732831520 575097658 /nfs/dbraw/zinc/09/76/58/575097658.db2.gz YUGFGEFXMBQCLP-UHFFFAOYSA-N -1 3 266.326 1.556 20 10 CDCDHM CN(Cc1ccccc1[O-])c1nc2c(cnn2C)c(=O)[nH]1 ZINC000771256503 575562638 /nfs/dbraw/zinc/56/26/38/575562638.db2.gz MKXNYCBFSQLULH-UHFFFAOYSA-N -1 3 285.307 1.411 20 10 CDCDHM CCN(CC)C(=O)CN(C)Cc1c([O-])cccc1OC ZINC000771934122 575638488 /nfs/dbraw/zinc/63/84/88/575638488.db2.gz XBMNVQSKCAJWJJ-UHFFFAOYSA-N -1 3 280.368 1.701 20 10 CDCDHM CCC[N@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1[O-] ZINC000737019084 575796898 /nfs/dbraw/zinc/79/68/98/575796898.db2.gz AXHXKJLIYNZXFO-UHFFFAOYSA-N -1 3 294.351 1.195 20 10 CDCDHM CCC[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1[O-] ZINC000737019084 575796901 /nfs/dbraw/zinc/79/69/01/575796901.db2.gz AXHXKJLIYNZXFO-UHFFFAOYSA-N -1 3 294.351 1.195 20 10 CDCDHM O=C(N[C@H](CCO)C1CCOCC1)c1cc([O-])cs1 ZINC000764483424 575914698 /nfs/dbraw/zinc/91/46/98/575914698.db2.gz AMNQICPOVHWCGT-LLVKDONJSA-N -1 3 285.365 1.361 20 10 CDCDHM C[C@H](O)C[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000765143269 575991820 /nfs/dbraw/zinc/99/18/20/575991820.db2.gz MZQTVCLZMTWSLL-DTWKUNHWSA-N -1 3 255.339 1.829 20 10 CDCDHM Cc1ccc(C(=O)N2CC(O)(C(C)C)C2)c([O-])c1O ZINC000765567317 576038535 /nfs/dbraw/zinc/03/85/35/576038535.db2.gz STFAADBMULTEOW-UHFFFAOYSA-N -1 3 265.309 1.249 20 10 CDCDHM O=C(OCCN1C[C@H]2CC[C@@H](C1)O2)c1cc([O-])cs1 ZINC000767535519 576202163 /nfs/dbraw/zinc/20/21/63/576202163.db2.gz DDBNQVXZXXURGA-PHIMTYICSA-N -1 3 283.349 1.474 20 10 CDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768442591 576283572 /nfs/dbraw/zinc/28/35/72/576283572.db2.gz UPPYBQLEORUDCF-RNCFNFMXSA-N -1 3 265.309 1.039 20 10 CDCDHM COc1cccc([O-])c1CN1CCN2C(=O)OC[C@H]2C1 ZINC000769483856 576357896 /nfs/dbraw/zinc/35/78/96/576357896.db2.gz PAPXRWOCDWUECQ-SNVBAGLBSA-N -1 3 278.308 1.037 20 10 CDCDHM CC1(CCNC(=O)c2cc([O-])cs2)OCCO1 ZINC000760451840 576485560 /nfs/dbraw/zinc/48/55/60/576485560.db2.gz YAFFDPTUGHDQAD-UHFFFAOYSA-N -1 3 257.311 1.337 20 10 CDCDHM CC1(CO)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000762814855 576675792 /nfs/dbraw/zinc/67/57/92/576675792.db2.gz HWOMNEBXOQOKLL-UHFFFAOYSA-N -1 3 255.339 1.688 20 10 CDCDHM O=C(OCc1cn2cccnc2n1)c1cc([O-])cs1 ZINC000762883936 576687600 /nfs/dbraw/zinc/68/76/00/576687600.db2.gz CAJKGBAFPNFFNZ-UHFFFAOYSA-N -1 3 275.289 1.853 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000748509787 576915555 /nfs/dbraw/zinc/91/55/55/576915555.db2.gz DSEQRIKCZKBODO-GFCCVEGCSA-N -1 3 297.376 1.864 20 10 CDCDHM CN(CCOCC1CC1)C(=O)c1cc([O-])cs1 ZINC000755873941 576965459 /nfs/dbraw/zinc/96/54/59/576965459.db2.gz WNPFSQYEYLGWFZ-UHFFFAOYSA-N -1 3 255.339 1.952 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756354755 576986917 /nfs/dbraw/zinc/98/69/17/576986917.db2.gz COUXQMLLJNZGBC-HTQZYQBOSA-N -1 3 272.295 1.846 20 10 CDCDHM CCN(C(=O)c1cc([O-])cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000752611002 577115422 /nfs/dbraw/zinc/11/54/22/577115422.db2.gz JHDZJYFGZZJPJF-MRVPVSSYSA-N -1 3 289.378 1.103 20 10 CDCDHM COC[C@@H]1COCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000933338450 617394519 /nfs/dbraw/zinc/39/45/19/617394519.db2.gz ZMUPTBBERGFGBG-CYBMUJFWSA-N -1 3 297.326 1.581 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCN(C2CC2)CC1 ZINC000893924332 618181656 /nfs/dbraw/zinc/18/16/56/618181656.db2.gz QPCPIXCOEBMPNF-UHFFFAOYSA-N -1 3 268.307 1.950 20 10 CDCDHM C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000912015914 629736126 /nfs/dbraw/zinc/73/61/26/629736126.db2.gz VPVSCNLXZDDGCK-OPRDCNLKSA-N -1 3 292.335 1.178 20 10 CDCDHM C[C@@H]([NH2+]CCc1ccn(C)n1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609782316 1165080657 /nfs/dbraw/zinc/08/06/57/1165080657.db2.gz ZLABSRSAVLHNTF-SNVBAGLBSA-N -1 3 289.335 1.717 20 10 CDCDHM C[C@@H]([NH2+]CCCF)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960876 1173214711 /nfs/dbraw/zinc/21/47/11/1173214711.db2.gz JOHBRNYXJBLUSE-MRVPVSSYSA-N -1 3 265.292 1.583 20 10 CDCDHM C[C@H](CCO)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603495183 1175558501 /nfs/dbraw/zinc/55/85/01/1175558501.db2.gz IJKJFOQDLSQTMI-ZJUUUORDSA-N -1 3 291.355 1.241 20 10 CDCDHM Cc1ccc(C(=O)Nc2cccc(C(N)=O)c2)c([O-])c1O ZINC000179398467 773880298 /nfs/dbraw/zinc/88/02/98/773880298.db2.gz PKJGYYHTOLOSEM-UHFFFAOYSA-N -1 3 286.287 1.757 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](CF)C1 ZINC000711454386 774653588 /nfs/dbraw/zinc/65/35/88/774653588.db2.gz YHGCSLRNJOOMGL-VIFPVBQESA-N -1 3 253.273 1.920 20 10 CDCDHM CON(C)C(=O)[C@H](C)N[C@@H](C)c1c([O-])cccc1F ZINC000886644829 775105647 /nfs/dbraw/zinc/10/56/47/775105647.db2.gz LNOCEYWDLXIVHH-IUCAKERBSA-N -1 3 270.304 1.590 20 10 CDCDHM CC(C)(O)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000185877082 775289625 /nfs/dbraw/zinc/28/96/25/775289625.db2.gz OKHVVAZWWXBTNA-NSHDSACASA-N -1 3 265.309 1.473 20 10 CDCDHM O=C(Nc1ccnn1CC1CC1)c1cccc(O)c1[O-] ZINC000790893838 777329066 /nfs/dbraw/zinc/32/90/66/777329066.db2.gz AIAPROJQDOEZFU-UHFFFAOYSA-N -1 3 273.292 1.957 20 10 CDCDHM O=C(NCCCOCC(F)(F)F)c1cccc(O)c1[O-] ZINC000192979856 778194024 /nfs/dbraw/zinc/19/40/24/778194024.db2.gz OOHMABSZIOIDEN-UHFFFAOYSA-N -1 3 293.241 1.797 20 10 CDCDHM O=C(NCc1ccc2c(c1)CCO2)c1cccc(O)c1[O-] ZINC000790626010 778297225 /nfs/dbraw/zinc/29/72/25/778297225.db2.gz QYLISXOOKHLMBG-UHFFFAOYSA-N -1 3 285.299 1.963 20 10 CDCDHM COC(=O)[C@H]1[C@@H]2CN(Cc3cccc(Cl)c3[O-])C[C@@H]21 ZINC000814173910 779119287 /nfs/dbraw/zinc/11/92/87/779119287.db2.gz SGETUPYRCCCWLP-IAZYJMLFSA-N -1 3 281.739 1.896 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC3(C2)OCCO3)c1[O-] ZINC000175639922 779592154 /nfs/dbraw/zinc/59/21/54/779592154.db2.gz KLWTWTPMAYZUFV-UHFFFAOYSA-N -1 3 295.310 1.683 20 10 CDCDHM CC(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703482444 779842377 /nfs/dbraw/zinc/84/23/77/779842377.db2.gz LOMWFYBXPKEODT-UHFFFAOYSA-N -1 3 284.306 1.771 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N(CCO)C1CCSCC1 ZINC000848023320 779896588 /nfs/dbraw/zinc/89/65/88/779896588.db2.gz LZWXQNJHRAINNP-UHFFFAOYSA-N -1 3 297.376 1.428 20 10 CDCDHM COCCc1ccnc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000804389077 780123667 /nfs/dbraw/zinc/12/36/67/780123667.db2.gz MGMIDFUHLRAENG-UHFFFAOYSA-N -1 3 288.303 1.934 20 10 CDCDHM [O-]c1cccc(F)c1CN1C[C@H](F)C[C@H](CO)C1 ZINC001137831559 936416465 /nfs/dbraw/zinc/41/64/65/936416465.db2.gz DYYZMLRMKIOMJV-VHSXEESVSA-N -1 3 257.280 1.684 20 10 CDCDHM O=C1NCC2(CCN(Cc3c(F)ccc(F)c3[O-])CC2)N1 ZINC001139687872 936635710 /nfs/dbraw/zinc/63/57/10/936635710.db2.gz SMOMCZHECQLHED-UHFFFAOYSA-N -1 3 297.305 1.318 20 10 CDCDHM CN1C[C@@H]2C[C@H]1CN2Cc1c(F)ccc(F)c1[O-] ZINC001139685914 936635845 /nfs/dbraw/zinc/63/58/45/936635845.db2.gz FCXKLNZXOVMGGF-IUCAKERBSA-N -1 3 254.280 1.559 20 10 CDCDHM CCN1C[C@@H]2C[C@H]1CN2Cc1c([O-])cc(F)cc1F ZINC001140585281 936728364 /nfs/dbraw/zinc/72/83/64/936728364.db2.gz CWHNFEDDDWMYST-QWRGUYRKSA-N -1 3 268.307 1.949 20 10 CDCDHM Cc1nccn1CCNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236535 923556268 /nfs/dbraw/zinc/55/62/68/923556268.db2.gz GYOLDEPHUAIZIG-UHFFFAOYSA-N -1 3 295.726 1.686 20 10 CDCDHM CN1CC[C@@]2(CCCN2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273379413 926548049 /nfs/dbraw/zinc/54/80/49/926548049.db2.gz WDZQMZXBEFHJLY-HNNXBMFYSA-N -1 3 296.317 1.867 20 10 CDCDHM O=C(NC1CCC2(COC2)CC1)c1cccc(O)c1[O-] ZINC000882768020 930073117 /nfs/dbraw/zinc/07/31/17/930073117.db2.gz MQUHBUJZVRBFOS-UHFFFAOYSA-N -1 3 277.320 1.787 20 10 CDCDHM Cc1cc([O-])c(CN2CCN(C)C(=O)C2)cc1Cl ZINC000824823407 931483805 /nfs/dbraw/zinc/48/38/05/931483805.db2.gz BKFTWFMZUTWQDO-UHFFFAOYSA-N -1 3 268.744 1.628 20 10 CDCDHM CCc1nccnc1NC(=O)c1cccc(O)c1[O-] ZINC001148211960 932666852 /nfs/dbraw/zinc/66/68/52/932666852.db2.gz FFOUJSSLRLKELX-UHFFFAOYSA-N -1 3 259.265 1.703 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001231446477 942891350 /nfs/dbraw/zinc/89/13/50/942891350.db2.gz JNOCLTLXACSFOK-NSHDSACASA-N -1 3 251.282 1.047 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001231446477 942891352 /nfs/dbraw/zinc/89/13/52/942891352.db2.gz JNOCLTLXACSFOK-NSHDSACASA-N -1 3 251.282 1.047 20 10 CDCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1COC1 ZINC001231455284 942891908 /nfs/dbraw/zinc/89/19/08/942891908.db2.gz MJJZMCULXBAHRS-UHFFFAOYSA-N -1 3 251.282 1.169 20 10 CDCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1COC1 ZINC001231455284 942891914 /nfs/dbraw/zinc/89/19/14/942891914.db2.gz MJJZMCULXBAHRS-UHFFFAOYSA-N -1 3 251.282 1.169 20 10 CDCDHM C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@H]1O ZINC001231446997 942894841 /nfs/dbraw/zinc/89/48/41/942894841.db2.gz NIPAZYYWHUHGAB-BXKDBHETSA-N -1 3 265.309 1.293 20 10 CDCDHM C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@H]1O ZINC001231446997 942894842 /nfs/dbraw/zinc/89/48/42/942894842.db2.gz NIPAZYYWHUHGAB-BXKDBHETSA-N -1 3 265.309 1.293 20 10 CDCDHM CC(C)(C)[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@@H](O)CO ZINC001231449646 942894936 /nfs/dbraw/zinc/89/49/36/942894936.db2.gz KHGJZTNCYXJPAW-GFCCVEGCSA-N -1 3 297.351 1.044 20 10 CDCDHM CC(C)(C)[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@@H](O)CO ZINC001231449646 942894940 /nfs/dbraw/zinc/89/49/40/942894940.db2.gz KHGJZTNCYXJPAW-GFCCVEGCSA-N -1 3 297.351 1.044 20 10 CDCDHM O=C([O-])c1ccc(O)c(CN2CC3(CC(O)C3)C2)c1 ZINC001231559389 942925797 /nfs/dbraw/zinc/92/57/97/942925797.db2.gz CJAUROJEMMVABB-UHFFFAOYSA-N -1 3 263.293 1.047 20 10 CDCDHM O=C([O-])[C@H](Cc1ccncc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001605904108 972749818 /nfs/dbraw/zinc/74/98/18/972749818.db2.gz RADQZIHVGWAXAQ-ZDUSSCGKSA-N -1 3 290.294 1.712 20 10 CDCDHM C[C@@](CCF)([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001592505364 978314697 /nfs/dbraw/zinc/31/46/97/978314697.db2.gz AQLUERKCQQCEFL-LBPRGKRZSA-N -1 3 259.252 1.824 20 10 CDCDHM C[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257501 994530631 /nfs/dbraw/zinc/53/06/31/994530631.db2.gz OPSQJXWQBPCXRE-SECBINFHSA-N -1 3 280.324 1.219 20 10 CDCDHM C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354413 994991403 /nfs/dbraw/zinc/99/14/03/994991403.db2.gz PJGLGWSBAYJMGP-RLCGTCKNSA-N -1 3 265.309 1.654 20 10 CDCDHM COC[C@@H](CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])OC ZINC001599162602 998484058 /nfs/dbraw/zinc/48/40/58/998484058.db2.gz CIBSQIHPCCOKEP-ZYHUDNBSSA-N -1 3 297.351 1.793 20 10 CDCDHM CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000274457713 365672641 /nfs/dbraw/zinc/67/26/41/365672641.db2.gz WBKJWKJOBVELHQ-LLVKDONJSA-N -1 3 293.319 1.574 20 10 CDCDHM CN(C[C@@H]1CCCCO1)C(=O)c1cccc(O)c1[O-] ZINC000126286047 260349003 /nfs/dbraw/zinc/34/90/03/260349003.db2.gz AAADDCMNMHRHCZ-JTQLQIEISA-N -1 3 265.309 1.739 20 10 CDCDHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000187037696 357720293 /nfs/dbraw/zinc/72/02/93/357720293.db2.gz XNUNBNXFXJIHPK-DTWKUNHWSA-N -1 3 280.324 1.131 20 10 CDCDHM C[S@](=O)C1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000281801178 363843163 /nfs/dbraw/zinc/84/31/63/363843163.db2.gz MQKOUWUUPGYJFP-IBGZPJMESA-N -1 3 283.349 1.129 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H](C2CCC2)C1 ZINC000293968386 370882303 /nfs/dbraw/zinc/88/23/03/370882303.db2.gz UMVFXSOBWGFAOT-GFCCVEGCSA-N -1 3 291.347 1.987 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c([O-])c1O ZINC000371583708 370322161 /nfs/dbraw/zinc/32/21/61/370322161.db2.gz ZZWDPXKPWIDZPE-JTQLQIEISA-N -1 3 287.319 1.417 20 10 CDCDHM CN(C)C(=O)O[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000295510236 371317634 /nfs/dbraw/zinc/31/76/34/371317634.db2.gz PVPMKMAQIYFEAE-SECBINFHSA-N -1 3 294.307 1.011 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1C1CC1 ZINC000187211844 296253990 /nfs/dbraw/zinc/25/39/90/296253990.db2.gz AIHKYLUOSZKWDP-NSHDSACASA-N -1 3 263.293 1.349 20 10 CDCDHM CCS(=O)(=O)CCNCc1cccc(Cl)c1[O-] ZINC000224733985 390908230 /nfs/dbraw/zinc/90/82/30/390908230.db2.gz XFXRARLEQDKYAY-UHFFFAOYSA-N -1 3 277.773 1.570 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)c([O-])c1O ZINC000182493675 391235835 /nfs/dbraw/zinc/23/58/35/391235835.db2.gz BTSHLKWYWYBPCZ-CMPLNLGQSA-N -1 3 279.336 1.687 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H](C)C[C@H](C)O)c([O-])c1O ZINC000179512748 391208396 /nfs/dbraw/zinc/20/83/96/391208396.db2.gz LSUBQQJLDUBVKJ-WPRPVWTQSA-N -1 3 267.325 1.543 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1[O-] ZINC000193595852 391342113 /nfs/dbraw/zinc/34/21/13/391342113.db2.gz OHZHRYGKFSEKJS-SDBXPKJASA-N -1 3 294.326 1.348 20 10 CDCDHM CS[C@@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182889329 397968939 /nfs/dbraw/zinc/96/89/39/397968939.db2.gz XXIARWFJMLSJAJ-QMMMGPOBSA-N -1 3 255.339 1.888 20 10 CDCDHM CS(=O)(=O)C[C@H]1CCN(Cc2ccccc2[O-])C1 ZINC000368352076 267165188 /nfs/dbraw/zinc/16/51/88/267165188.db2.gz NZXLNCLZQYEXGR-NSHDSACASA-N -1 3 269.366 1.259 20 10 CDCDHM C[C@H]1CS(=O)(=O)C[C@H]1NCc1cccc(F)c1[O-] ZINC000290102900 328258017 /nfs/dbraw/zinc/25/80/17/328258017.db2.gz HTZDKBQSRCATTA-GZMMTYOYSA-N -1 3 273.329 1.054 20 10 CDCDHM COC(=O)C[C@@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000377835525 329031059 /nfs/dbraw/zinc/03/10/59/329031059.db2.gz USDCMMOJSTWGNU-SNVBAGLBSA-N -1 3 299.754 1.810 20 10 CDCDHM COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cc(Cl)ccc1[O-] ZINC000188783122 329372095 /nfs/dbraw/zinc/37/20/95/329372095.db2.gz YEKGVQVSGXHVRO-OLZOCXBDSA-N -1 3 299.754 1.544 20 10 CDCDHM C[C@H](NCc1cc(F)ccc1[O-])c1nnc2n1CCC2 ZINC000230935627 333322762 /nfs/dbraw/zinc/32/27/62/333322762.db2.gz AUTKSXBFKQDBAZ-VIFPVBQESA-N -1 3 276.315 1.920 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(CCO)C(C)C)c1[O-] ZINC000050158090 518285235 /nfs/dbraw/zinc/28/52/35/518285235.db2.gz PPZUCAOXOQYITK-UHFFFAOYSA-N -1 3 269.316 1.937 20 10 CDCDHM CCC[C@@H](CNC(=O)c1cccc(O)c1[O-])C(=O)OCC ZINC000279420746 520707277 /nfs/dbraw/zinc/70/72/77/520707277.db2.gz IIEMPGSXHAMMDM-JTQLQIEISA-N -1 3 295.335 1.807 20 10 CDCDHM COc1c([O-])c(CN2CCSCC2)ccc1[N+](=O)[O-] ZINC000278269937 521871103 /nfs/dbraw/zinc/87/11/03/521871103.db2.gz RKMNUCLNYBBFRM-UHFFFAOYSA-N -1 3 284.337 1.858 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275873375 523945313 /nfs/dbraw/zinc/94/53/13/523945313.db2.gz HCRZXYPCGKMXCY-MGCOHNPYSA-N -1 3 265.309 1.473 20 10 CDCDHM CN(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277482100 524044878 /nfs/dbraw/zinc/04/48/78/524044878.db2.gz IUTVHDQECSZBFW-UHFFFAOYSA-N -1 3 287.157 1.333 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)c2ncn(C)n2)c([O-])c1O ZINC000275611517 526210699 /nfs/dbraw/zinc/21/06/99/526210699.db2.gz QOVGKXFJWBBSJJ-MRVPVSSYSA-N -1 3 276.296 1.026 20 10 CDCDHM Cc1cccc(CN2CC[C@](F)(C(=O)[O-])C2)c1O ZINC001600532478 1174497807 /nfs/dbraw/zinc/49/78/07/1174497807.db2.gz JRYHWVIFWOZLTP-CYBMUJFWSA-N -1 3 253.273 1.699 20 10 CDCDHM Cc1cccc(CN2CC[C@@](F)(C(=O)[O-])C2)c1O ZINC001600532479 1174498546 /nfs/dbraw/zinc/49/85/46/1174498546.db2.gz JRYHWVIFWOZLTP-ZDUSSCGKSA-N -1 3 253.273 1.699 20 10 CDCDHM C[C@@H]1C[C@@H](C)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000737745681 574435914 /nfs/dbraw/zinc/43/59/14/574435914.db2.gz WYRWYGDKWJZCRJ-RKDXNWHRSA-N -1 3 290.323 1.363 20 10 CDCDHM O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cc([O-])cs1 ZINC000771419983 575577981 /nfs/dbraw/zinc/57/79/81/575577981.db2.gz ULAXOFDSVPXUKS-ZANVPECISA-N -1 3 283.349 1.522 20 10 CDCDHM NC(=O)c1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000731868752 575068680 /nfs/dbraw/zinc/06/86/80/575068680.db2.gz SUBHUGUXYHBZMN-UHFFFAOYSA-N -1 3 276.317 1.483 20 10 CDCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC1CC1 ZINC000731912275 575070312 /nfs/dbraw/zinc/07/03/12/575070312.db2.gz SXLBJSYDALJFAL-ZCFIWIBFSA-N -1 3 255.295 1.278 20 10 CDCDHM C[C@H]1CCCN(C(=O)COC(=O)c2cc([O-])cs2)C1 ZINC000731910227 575070320 /nfs/dbraw/zinc/07/03/20/575070320.db2.gz PFZYSHRTLHSOPD-VIFPVBQESA-N -1 3 283.349 1.869 20 10 CDCDHM C[C@H](NCc1nnnn1CC1CC1)c1cc(F)ccc1[O-] ZINC000769988187 575406290 /nfs/dbraw/zinc/40/62/90/575406290.db2.gz NRDRCYZCOSXUFX-VIFPVBQESA-N -1 3 291.330 1.779 20 10 CDCDHM CCOc1ccc(CN2CCN3C(=O)NC[C@@H]3C2)c([O-])c1 ZINC000770287128 575437004 /nfs/dbraw/zinc/43/70/04/575437004.db2.gz SPRJLEMKRASPEI-GFCCVEGCSA-N -1 3 291.351 1.000 20 10 CDCDHM COc1cccc([O-])c1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000770303720 575437480 /nfs/dbraw/zinc/43/74/80/575437480.db2.gz IUCGKXKYANEMED-JKSUJKDBSA-N -1 3 293.363 1.781 20 10 CDCDHM C[C@@H]1N(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCOC1(C)C ZINC000768461577 576286642 /nfs/dbraw/zinc/28/66/42/576286642.db2.gz DLQWQKNNZGTNQH-HZMBPMFUSA-N -1 3 293.363 1.817 20 10 CDCDHM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)[C@@]12CCCO2 ZINC000760455160 576485368 /nfs/dbraw/zinc/48/53/68/576485368.db2.gz RUVTUZKDTGQRFM-SCRDCRAPSA-N -1 3 297.376 1.910 20 10 CDCDHM C[C@H](NC(=O)c1cc([O-])cs1)C1CCOCC1 ZINC000762579455 576656122 /nfs/dbraw/zinc/65/61/22/576656122.db2.gz QJPJABOEOVRYHK-QMMMGPOBSA-N -1 3 255.339 1.999 20 10 CDCDHM C[C@H](Cc1ccc(O)c(O)c1)N=c1ncnc2[nH][n-]cc1-2 ZINC000762800484 576673810 /nfs/dbraw/zinc/67/38/10/576673810.db2.gz QPASUSMRSAJSLI-MRVPVSSYSA-N -1 3 285.307 1.181 20 10 CDCDHM C[C@@H](NCc1nnnn1C1CC1)c1cc(F)ccc1[O-] ZINC000756734665 577002285 /nfs/dbraw/zinc/00/22/85/577002285.db2.gz YBQRTILAIYSHKR-MRVPVSSYSA-N -1 3 277.303 1.704 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)C(=O)N(C)C)c1 ZINC000756739589 577002499 /nfs/dbraw/zinc/00/24/99/577002499.db2.gz PPMFJIXLSAHBNB-NXEZZACHSA-N -1 3 294.351 1.306 20 10 CDCDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756777170 577003719 /nfs/dbraw/zinc/00/37/19/577003719.db2.gz WJXCEEUBAQBOFZ-SDBXPKJASA-N -1 3 297.305 1.788 20 10 CDCDHM O=C([O-])CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCCO1 ZINC001602006508 1175109741 /nfs/dbraw/zinc/10/97/41/1175109741.db2.gz FEKFKICEAJUQHQ-CYBMUJFWSA-N -1 3 297.326 1.987 20 10 CDCDHM O=C([O-])CC[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCCO1 ZINC001602006508 1175109743 /nfs/dbraw/zinc/10/97/43/1175109743.db2.gz FEKFKICEAJUQHQ-CYBMUJFWSA-N -1 3 297.326 1.987 20 10 CDCDHM NC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775632830 617546397 /nfs/dbraw/zinc/54/63/97/617546397.db2.gz ABMQTJKTAJQOBO-MRVPVSSYSA-N -1 3 286.734 1.882 20 10 CDCDHM CCC(=O)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000909353331 617881919 /nfs/dbraw/zinc/88/19/19/617881919.db2.gz IVODOZGDHIEYHX-JTQLQIEISA-N -1 3 263.293 1.682 20 10 CDCDHM COc1ccc(N2CC[C@H](Nc3cc(=O)[n-]cn3)C2)cc1 ZINC000894484323 618913066 /nfs/dbraw/zinc/91/30/66/618913066.db2.gz FNKLCZHZOOBYTE-NSHDSACASA-N -1 3 286.335 1.882 20 10 CDCDHM C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001604638149 1163261309 /nfs/dbraw/zinc/26/13/09/1163261309.db2.gz VAFRBKPOMFBJON-JQEORGNBSA-N -1 3 293.319 1.113 20 10 CDCDHM C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001604638149 1163261318 /nfs/dbraw/zinc/26/13/18/1163261318.db2.gz VAFRBKPOMFBJON-JQEORGNBSA-N -1 3 293.319 1.113 20 10 CDCDHM COc1ccc(C[NH2+][C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)c([O-])c1 ZINC001607260015 1164137997 /nfs/dbraw/zinc/13/79/97/1164137997.db2.gz LXLNXFPPXSCFAD-OIMNJJJWSA-N -1 3 291.347 1.990 20 10 CDCDHM CC[C@@H]([NH2+][C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467689 1173419499 /nfs/dbraw/zinc/41/94/99/1173419499.db2.gz SPZNRLRTMHBKIJ-BXKDBHETSA-N -1 3 289.339 1.402 20 10 CDCDHM CN(Cc1ccccn1)C(=O)c1cccc(O)c1[O-] ZINC000126261308 780674013 /nfs/dbraw/zinc/67/40/13/780674013.db2.gz MFGDIPUAFAKLCJ-UHFFFAOYSA-N -1 3 258.277 1.765 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@](F)(CO)C2)c1[O-] ZINC000802014307 780753176 /nfs/dbraw/zinc/75/31/76/780753176.db2.gz PQMDNPMKJCQLEZ-CQSZACIVSA-N -1 3 285.290 1.640 20 10 CDCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ncn[nH]1 ZINC000807838559 781005966 /nfs/dbraw/zinc/00/59/66/781005966.db2.gz XBZVGHCHJJOIGW-UHFFFAOYSA-N -1 3 287.106 1.747 20 10 CDCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1nc[nH]n1 ZINC000807838559 781005975 /nfs/dbraw/zinc/00/59/75/781005975.db2.gz XBZVGHCHJJOIGW-UHFFFAOYSA-N -1 3 287.106 1.747 20 10 CDCDHM C[C@@H](O)CN(Cc1cc(F)ccc1[O-])CC(F)F ZINC000825099105 781888592 /nfs/dbraw/zinc/88/85/92/781888592.db2.gz UULRYZZKDWZNRC-MRVPVSSYSA-N -1 3 263.259 1.979 20 10 CDCDHM NC(=O)[C@H]1CCCCN1Cc1c([O-])cccc1F ZINC001137837636 936418899 /nfs/dbraw/zinc/41/88/99/936418899.db2.gz PAIRFQSHZHARCB-LLVKDONJSA-N -1 3 252.289 1.371 20 10 CDCDHM CN(Cc1cn(C)nn1)Cc1c([O-])cccc1Cl ZINC000827305515 936586120 /nfs/dbraw/zinc/58/61/20/936586120.db2.gz UUBKQEKKGXTWFA-UHFFFAOYSA-N -1 3 266.732 1.806 20 10 CDCDHM COC(=O)CC[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC001140056433 936675249 /nfs/dbraw/zinc/67/52/49/936675249.db2.gz WYBGDFYCDPEWMD-ZDUSSCGKSA-N -1 3 297.326 1.685 20 10 CDCDHM [O-]c1c(O)cc(-c2nnc([C@@H]3CCOC3)o2)cc1O ZINC001255509300 936715873 /nfs/dbraw/zinc/71/58/73/936715873.db2.gz CXPAXNMRJSXBPP-ZCFIWIBFSA-N -1 3 264.237 1.357 20 10 CDCDHM COCCNC(=O)C1(NCc2cccc(Cl)c2[O-])CC1 ZINC000839193848 936908688 /nfs/dbraw/zinc/90/86/88/936908688.db2.gz WQWUSRHIOUIRGB-UHFFFAOYSA-N -1 3 298.770 1.430 20 10 CDCDHM NCC(F)(F)CNCc1cccc(Br)c1[O-] ZINC000841059644 936973848 /nfs/dbraw/zinc/97/38/48/936973848.db2.gz JFIARBHGZCQETO-UHFFFAOYSA-N -1 3 295.127 1.838 20 10 CDCDHM CN(CCNC(=O)c1cccc(O)c1[O-])CC(F)F ZINC000863809703 929615943 /nfs/dbraw/zinc/61/59/43/929615943.db2.gz FWCBNWDPBHMCBI-UHFFFAOYSA-N -1 3 274.267 1.025 20 10 CDCDHM CC(C)[C@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CCN1C ZINC000881438976 929847657 /nfs/dbraw/zinc/84/76/57/929847657.db2.gz AWFLUFMQOYEMPQ-LLVKDONJSA-N -1 3 296.342 1.649 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCC[C@H]1O ZINC000131809668 930204224 /nfs/dbraw/zinc/20/42/24/930204224.db2.gz BWTSZOQGLZPZJQ-GHMZBOCLSA-N -1 3 265.309 1.473 20 10 CDCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCNC1=O ZINC000816521174 930287283 /nfs/dbraw/zinc/28/72/83/930287283.db2.gz JDSPHSZSTMRMIE-JTQLQIEISA-N -1 3 272.707 1.505 20 10 CDCDHM C[C@@H](N[C@H](C)c1c([O-])cccc1F)C(=O)NCCF ZINC000886606641 930920745 /nfs/dbraw/zinc/92/07/45/930920745.db2.gz CMIWQQGQTYUWJP-RKDXNWHRSA-N -1 3 272.295 1.656 20 10 CDCDHM COc1nccc(N)c1NC(=O)c1cccc(O)c1[O-] ZINC001148211918 932666944 /nfs/dbraw/zinc/66/69/44/932666944.db2.gz CIKIAKVBTSFMAA-UHFFFAOYSA-N -1 3 275.264 1.336 20 10 CDCDHM O=C(NCc1ccc2nonc2c1)c1cccc(O)c1[O-] ZINC001148220014 932672174 /nfs/dbraw/zinc/67/21/74/932672174.db2.gz KTYXBBJQRGHZJW-UHFFFAOYSA-N -1 3 285.259 1.564 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC12CCCC2 ZINC001148582546 932751587 /nfs/dbraw/zinc/75/15/87/932751587.db2.gz KPPRRGVSGHRMLS-UHFFFAOYSA-N -1 3 263.293 1.962 20 10 CDCDHM C[C@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)C2(CC2)C1 ZINC001148588300 932753312 /nfs/dbraw/zinc/75/33/12/932753312.db2.gz RPCPAZHXKKYSMN-MRVPVSSYSA-N -1 3 263.293 1.818 20 10 CDCDHM COCCN(Cc1cc(Cl)ccc1[O-])[C@@H](C)C(N)=O ZINC000093138140 934906522 /nfs/dbraw/zinc/90/65/22/934906522.db2.gz YDWJMUGXOHAUMZ-VIFPVBQESA-N -1 3 286.759 1.368 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253088562 935089860 /nfs/dbraw/zinc/08/98/60/935089860.db2.gz FOGWUDOMMVDSJQ-CYZMBNFOSA-N -1 3 291.347 1.863 20 10 CDCDHM COCn1ccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001156170708 938327985 /nfs/dbraw/zinc/32/79/85/938327985.db2.gz SNMYIZYNZADOAC-UHFFFAOYSA-N -1 3 279.271 1.262 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2ncccn2)C1 ZINC001156812399 938420110 /nfs/dbraw/zinc/42/01/10/938420110.db2.gz JVSKJAQCQXKCBB-SNVBAGLBSA-N -1 3 285.303 1.518 20 10 CDCDHM COC(CN(C)Cc1ccc(C(=O)[O-])cc1O)OC ZINC001231452154 942896733 /nfs/dbraw/zinc/89/67/33/942896733.db2.gz BSIWZUIJMCHFBK-UHFFFAOYSA-N -1 3 269.297 1.141 20 10 CDCDHM CCN(Cc1ccc(C(=O)[O-])cc1O)C1CN(C)C1 ZINC001231453183 942896868 /nfs/dbraw/zinc/89/68/68/942896868.db2.gz DBZJXDSPAHEHRC-UHFFFAOYSA-N -1 3 264.325 1.226 20 10 CDCDHM CCOC1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232260817 943192294 /nfs/dbraw/zinc/19/22/94/943192294.db2.gz RPCWPIXBGDRNEL-UHFFFAOYSA-N -1 3 257.717 1.972 20 10 CDCDHM COc1cc([O-])c(CN2CC(N(C)C(C)=O)C2)cc1Cl ZINC001232269610 943195992 /nfs/dbraw/zinc/19/59/92/943195992.db2.gz GVJPZFUMJRAAIJ-UHFFFAOYSA-N -1 3 298.770 1.717 20 10 CDCDHM CN(C)C(=O)C1CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237937736 945011543 /nfs/dbraw/zinc/01/15/43/945011543.db2.gz UJXAFNBWPSSMDD-UHFFFAOYSA-N -1 3 286.734 1.705 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)c1ccc([N+](=O)[O-])o1 ZINC001303877357 956129739 /nfs/dbraw/zinc/12/97/39/956129739.db2.gz BPSZMUOQMJOZCF-UHFFFAOYSA-N -1 3 280.211 1.963 20 10 CDCDHM C[C@H]([NH2+]Cc1c(C(=O)[O-])cnn1C)c1ccccc1[O-] ZINC001594241080 959534950 /nfs/dbraw/zinc/53/49/50/959534950.db2.gz WWDSDGFEQVXSBH-VIFPVBQESA-N -1 3 275.308 1.675 20 10 CDCDHM CC(C)n1cc(CNC(=O)c2cccc(O)c2[O-])nn1 ZINC000848116950 968726662 /nfs/dbraw/zinc/72/66/62/968726662.db2.gz FYVDLFDGACVBJN-UHFFFAOYSA-N -1 3 276.296 1.200 20 10 CDCDHM C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246017 994444289 /nfs/dbraw/zinc/44/42/89/994444289.db2.gz FZTLAOSVYUCUPZ-QCZZGDTMSA-N -1 3 295.335 1.281 20 10 CDCDHM C[C@H]([NH2+]CC1(C)COC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247569 994465126 /nfs/dbraw/zinc/46/51/26/994465126.db2.gz GLKLVCRGUAPJHD-VIFPVBQESA-N -1 3 265.309 1.778 20 10 CDCDHM C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256439 994521652 /nfs/dbraw/zinc/52/16/52/994521652.db2.gz HRGMCHYRIOBDRH-KOLCDFICSA-N -1 3 265.309 1.920 20 10 CDCDHM C[C@H]([NH2+]C/C=C/CO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256481 994522875 /nfs/dbraw/zinc/52/28/75/994522875.db2.gz IIFSHYGVEVUPEX-HPOULIHZSA-N -1 3 251.282 1.290 20 10 CDCDHM C[C@H]([NH2+]CCC(=O)NCCC(=O)[O-])c1ccccc1[O-] ZINC001593259929 994543901 /nfs/dbraw/zinc/54/39/01/994543901.db2.gz CATIDDHERYQNIR-JTQLQIEISA-N -1 3 280.324 1.024 20 10 CDCDHM C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353368 994978537 /nfs/dbraw/zinc/97/85/37/994978537.db2.gz UQCJUUZMNBXXSY-JBLDHEPKSA-N -1 3 277.320 1.678 20 10 CDCDHM COC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001599176996 996866998 /nfs/dbraw/zinc/86/69/98/996866998.db2.gz KBWDJKUFKKZNMP-VIFPVBQESA-N -1 3 289.715 1.243 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](C)O)c([O-])c1O ZINC000274411867 365655886 /nfs/dbraw/zinc/65/58/86/365655886.db2.gz MKZYUYJUYKBZBE-GHMZBOCLSA-N -1 3 295.335 1.018 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@](CO)(C(C)C)C2)c([O-])c1O ZINC000366521892 362058978 /nfs/dbraw/zinc/05/89/78/362058978.db2.gz QPFDUWSGYXFBOB-INIZCTEOSA-N -1 3 293.363 1.887 20 10 CDCDHM COc1cc(Cl)cc(CN2CC(=O)N[C@H](C)C2)c1[O-] ZINC000295109896 199349386 /nfs/dbraw/zinc/34/93/86/199349386.db2.gz VZPHDKMMDIPPFT-MRVPVSSYSA-N -1 3 284.743 1.375 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@@H](O)CC2)c([O-])c1O ZINC000294971735 301502390 /nfs/dbraw/zinc/50/23/90/301502390.db2.gz SXNYXLHJKGVAIG-SNVBAGLBSA-N -1 3 265.309 1.393 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)C[C@@H](C)O)c1[O-] ZINC000051839016 357260877 /nfs/dbraw/zinc/26/08/77/357260877.db2.gz SCDUNPCUAFXJGI-MRVPVSSYSA-N -1 3 255.289 1.547 20 10 CDCDHM C[C@H](NCC(=O)NCC1CC1)c1ccc(F)cc1[O-] ZINC000186505208 358801491 /nfs/dbraw/zinc/80/14/91/358801491.db2.gz KIOOLASGADJZAV-VIFPVBQESA-N -1 3 266.316 1.708 20 10 CDCDHM COC(=O)[C@]1(F)CCN(Cc2ccccc2[O-])C1 ZINC000271254594 364977725 /nfs/dbraw/zinc/97/77/25/364977725.db2.gz GKYPSDYLQNAMMY-ZDUSSCGKSA-N -1 3 253.273 1.479 20 10 CDCDHM COC(=O)[C@]1(C)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000271236481 364977731 /nfs/dbraw/zinc/97/77/31/364977731.db2.gz CKGJQKSOFGPJDI-OAHLLOKOSA-N -1 3 293.319 1.431 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273377003 365490005 /nfs/dbraw/zinc/49/00/05/365490005.db2.gz HKFOSTNVAMZSPD-UWVGGRQHSA-N -1 3 294.351 1.354 20 10 CDCDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCCF ZINC000282864643 368075121 /nfs/dbraw/zinc/07/51/21/368075121.db2.gz UUQFQUXTZLIHBW-IUCAKERBSA-N -1 3 299.302 1.425 20 10 CDCDHM Cc1nnc(NC(=O)c2ccc(C)c(O)c2[O-])n1C1CC1 ZINC000285730921 368655206 /nfs/dbraw/zinc/65/52/06/368655206.db2.gz GOSYCPYISYAJQA-UHFFFAOYSA-N -1 3 288.307 1.893 20 10 CDCDHM CNC(=O)[C@H](C)CN(C)Cc1c([O-])cccc1Cl ZINC000219840319 262350519 /nfs/dbraw/zinc/35/05/19/262350519.db2.gz GETLJVGDKALHKB-SECBINFHSA-N -1 3 270.760 1.860 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CCCO2)c([O-])c1O ZINC000177658856 391173121 /nfs/dbraw/zinc/17/31/21/391173121.db2.gz POTUGFDVVOSNGT-VIFPVBQESA-N -1 3 251.282 1.315 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCCO1 ZINC000281559290 287175714 /nfs/dbraw/zinc/17/57/14/287175714.db2.gz KVAOXFXNNARZIB-SNVBAGLBSA-N -1 3 265.309 1.739 20 10 CDCDHM C[C@@H](NCc1ncn(C)n1)c1cc(F)ccc1[O-] ZINC000186214797 262084352 /nfs/dbraw/zinc/08/43/52/262084352.db2.gz UPPHWWADGWCSTJ-MRVPVSSYSA-N -1 3 250.277 1.511 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000126260457 264202077 /nfs/dbraw/zinc/20/20/77/264202077.db2.gz LVZBTXILYDPCIW-SECBINFHSA-N -1 3 251.282 1.349 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@]2(CCOC2)O1 ZINC000280507369 288045746 /nfs/dbraw/zinc/04/57/46/288045746.db2.gz LGPDCMZXNLMZME-BMIGLBTASA-N -1 3 293.319 1.118 20 10 CDCDHM O=C(CNCc1c([O-])cccc1Cl)NCC(F)(F)F ZINC000113324174 327786241 /nfs/dbraw/zinc/78/62/41/327786241.db2.gz RUTKEHWVCMYWDC-UHFFFAOYSA-N -1 3 296.676 1.814 20 10 CDCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCCO1 ZINC000281559289 523258949 /nfs/dbraw/zinc/25/89/49/523258949.db2.gz KVAOXFXNNARZIB-JTQLQIEISA-N -1 3 265.309 1.739 20 10 CDCDHM CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000290296317 524010331 /nfs/dbraw/zinc/01/03/31/524010331.db2.gz YJCFYBOYPUYVBH-SWPVVBRQSA-N -1 3 273.279 1.735 20 10 CDCDHM O=C(NCCN1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000276554945 526307375 /nfs/dbraw/zinc/30/73/75/526307375.db2.gz ILNNIGJSGHDBEL-UHFFFAOYSA-N -1 3 282.315 1.453 20 10 CDCDHM O=C1CN(Cc2cc(F)ccc2[O-])CN1CC1CC1 ZINC000279496443 527003123 /nfs/dbraw/zinc/00/31/23/527003123.db2.gz VLDUMYOBDWCHGT-UHFFFAOYSA-N -1 3 264.300 1.543 20 10 CDCDHM CC(C)CN1CCO[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000731864091 575066503 /nfs/dbraw/zinc/06/65/03/575066503.db2.gz KSKHYAQUMIARMY-LBPRGKRZSA-N -1 3 298.408 1.540 20 10 CDCDHM O=C(NCc1nnc2n1CCCCC2)c1cc([O-])cs1 ZINC000731865933 575066680 /nfs/dbraw/zinc/06/66/80/575066680.db2.gz BMEVNPQLOSHPCN-UHFFFAOYSA-N -1 3 292.364 1.702 20 10 CDCDHM C[C@H](CNC(=O)c1cc([O-])cs1)Cn1cccn1 ZINC000731871520 575067353 /nfs/dbraw/zinc/06/73/53/575067353.db2.gz HLMCGWIRMGIXEJ-SECBINFHSA-N -1 3 265.338 1.716 20 10 CDCDHM O=C(CNC(=O)c1cc([O-])cs1)OCC1CC1 ZINC000731872605 575067817 /nfs/dbraw/zinc/06/78/17/575067817.db2.gz BJEPSFYHPCPXSV-UHFFFAOYSA-N -1 3 255.295 1.137 20 10 CDCDHM CO[C@@H](CNCc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000733329963 575115224 /nfs/dbraw/zinc/11/52/24/575115224.db2.gz MNXCVTHUQAQIJJ-JTQLQIEISA-N -1 3 294.229 1.967 20 10 CDCDHM Cn1ncc2c1nc(NCc1ccccc1[O-])[nH]c2=O ZINC000771177256 575554758 /nfs/dbraw/zinc/55/47/58/575554758.db2.gz FAVDNIVOZXIVAK-UHFFFAOYSA-N -1 3 271.280 1.387 20 10 CDCDHM O=C([O-])C[N@H+](Cc1cc2c(cc1[O-])CCC2)C1CC1 ZINC000738607524 576094842 /nfs/dbraw/zinc/09/48/42/576094842.db2.gz JFUBXOGYTKHGSS-UHFFFAOYSA-N -1 3 261.321 1.930 20 10 CDCDHM O=C([O-])C[N@@H+](Cc1cc2c(cc1[O-])CCC2)C1CC1 ZINC000738607524 576094844 /nfs/dbraw/zinc/09/48/44/576094844.db2.gz JFUBXOGYTKHGSS-UHFFFAOYSA-N -1 3 261.321 1.930 20 10 CDCDHM CC(C)(O)[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000768729789 576304987 /nfs/dbraw/zinc/30/49/87/576304987.db2.gz MEBIKHJFAJNUKJ-JTQLQIEISA-N -1 3 255.339 1.829 20 10 CDCDHM COc1cccc([O-])c1CN1CCC2(C1)OCCO2 ZINC000769318714 576345514 /nfs/dbraw/zinc/34/55/14/576345514.db2.gz JWCFHVXOBUUFEL-UHFFFAOYSA-N -1 3 265.309 1.350 20 10 CDCDHM Cc1ccc(C(=O)N(C)CC2(O)CCC2)c([O-])c1O ZINC000760076908 576456519 /nfs/dbraw/zinc/45/65/19/576456519.db2.gz VUZLWQVVOZJSQR-UHFFFAOYSA-N -1 3 265.309 1.393 20 10 CDCDHM CCCNC(=O)CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756355037 576987097 /nfs/dbraw/zinc/98/70/97/576987097.db2.gz FYEQOMAISVAKPK-QMMMGPOBSA-N -1 3 272.295 1.847 20 10 CDCDHM C[C@@H](N[C@@H]1CCCN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756639101 576998415 /nfs/dbraw/zinc/99/84/15/576998415.db2.gz WUSJWYUKTVJSSW-PRHODGIISA-N -1 3 284.306 1.942 20 10 CDCDHM CN(Cc1ccccc1O)c1cnccc1-c1nnn[n-]1 ZINC001609280994 1164881435 /nfs/dbraw/zinc/88/14/35/1164881435.db2.gz SHLBIBWJSUMAJF-UHFFFAOYSA-N -1 3 282.307 1.604 20 10 CDCDHM CN(Cc1ccccc1O)c1cnccc1-c1nn[n-]n1 ZINC001609280994 1164881438 /nfs/dbraw/zinc/88/14/38/1164881438.db2.gz SHLBIBWJSUMAJF-UHFFFAOYSA-N -1 3 282.307 1.604 20 10 CDCDHM CO[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126373272 1175459557 /nfs/dbraw/zinc/45/95/57/1175459557.db2.gz IKNLEMJCEXENIP-MWLCHTKSSA-N -1 3 251.282 1.395 20 10 CDCDHM CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761447 894776434 /nfs/dbraw/zinc/77/64/34/894776434.db2.gz SNVQONFAZFYIKE-IINYFYTJSA-N -1 3 298.770 1.117 20 10 CDCDHM CC(C)(O)C(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000393550000 896555548 /nfs/dbraw/zinc/55/55/48/896555548.db2.gz VZJPXLXRDASEBF-UHFFFAOYSA-N -1 3 267.325 1.625 20 10 CDCDHM CCN1C(=O)C(C)(C)N[C@@H]1c1cc(F)ccc1[O-] ZINC000840833871 906412939 /nfs/dbraw/zinc/41/29/39/906412939.db2.gz PPQMFFREHTWNHD-NSHDSACASA-N -1 3 252.289 1.760 20 10 CDCDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccccc2O)s1 ZINC000229629327 912156614 /nfs/dbraw/zinc/15/66/14/912156614.db2.gz BQYPZDPVJBZSLG-UHFFFAOYSA-N -1 3 284.362 1.636 20 10 CDCDHM CN(Cc1cn(C)nn1)Cc1cc(F)ccc1[O-] ZINC000827305307 936586093 /nfs/dbraw/zinc/58/60/93/936586093.db2.gz PXGZBHIKFFHOEW-UHFFFAOYSA-N -1 3 250.277 1.292 20 10 CDCDHM Cc1oncc1S(=O)(=O)[N-][C@H](C)c1ccccc1O ZINC001187395223 920546586 /nfs/dbraw/zinc/54/65/86/920546586.db2.gz QYXIQRPSBUTAOW-MRVPVSSYSA-N -1 3 282.321 1.728 20 10 CDCDHM C[C@H]1C(=O)NCCN1Cc1ccc(Cl)cc1[O-] ZINC001140464494 936712783 /nfs/dbraw/zinc/71/27/83/936712783.db2.gz RZRAZFHQSVLBHV-QMMMGPOBSA-N -1 3 254.717 1.366 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CC[C@H]1O ZINC001140582249 936727249 /nfs/dbraw/zinc/72/72/49/936727249.db2.gz FQORWVYXOURLAL-PRHODGIISA-N -1 3 257.280 1.873 20 10 CDCDHM O=C(NC[C@@H](O)c1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000186915267 922053899 /nfs/dbraw/zinc/05/38/99/922053899.db2.gz ZXFFGWCHQOKDLC-CYBMUJFWSA-N -1 3 291.278 1.700 20 10 CDCDHM CC(C)NC(=O)[C@@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000708518078 923202198 /nfs/dbraw/zinc/20/21/98/923202198.db2.gz ZHFUENFDTAVCLS-MRVPVSSYSA-N -1 3 272.295 1.673 20 10 CDCDHM CC(=O)NCCN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000843428414 923444080 /nfs/dbraw/zinc/44/40/80/923444080.db2.gz WOMJSDQVCLMYOF-UHFFFAOYSA-N -1 3 274.723 1.753 20 10 CDCDHM O=C([O-])C1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000854244969 928176286 /nfs/dbraw/zinc/17/62/86/928176286.db2.gz YWLIPCWZLBWDQS-UHFFFAOYSA-N -1 3 253.273 1.876 20 10 CDCDHM CCn1nncc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858440426 928863894 /nfs/dbraw/zinc/86/38/94/928863894.db2.gz UNWUILWEDIQNCF-SECBINFHSA-N -1 3 291.311 1.763 20 10 CDCDHM CON(C)C(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858580736 928890508 /nfs/dbraw/zinc/89/05/08/928890508.db2.gz VHCOFLABPGAEOU-BDAKNGLRSA-N -1 3 297.311 1.359 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000846059778 931956734 /nfs/dbraw/zinc/95/67/34/931956734.db2.gz IVKBBQOQABLQMZ-ZANVPECISA-N -1 3 299.754 1.808 20 10 CDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n(CCF)n1 ZINC001148211982 932666425 /nfs/dbraw/zinc/66/64/25/932666425.db2.gz GHIRMTMYADFYMB-UHFFFAOYSA-N -1 3 279.271 1.825 20 10 CDCDHM O=C(Nc1cc(OCC2CC2)n[nH]1)c1cccc(O)c1[O-] ZINC001148212946 932667932 /nfs/dbraw/zinc/66/79/32/932667932.db2.gz QIKKNWVJOFQDHV-UHFFFAOYSA-N -1 3 289.291 1.862 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@](F)(CO)CC1 ZINC001148212213 932668576 /nfs/dbraw/zinc/66/85/76/932668576.db2.gz RCXNLCRMZIQGDL-AWEZNQCLSA-N -1 3 283.299 1.425 20 10 CDCDHM CCOC(=O)[C@]12C[C@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001148212023 932669027 /nfs/dbraw/zinc/66/90/27/932669027.db2.gz IDZHBXUTYIRWFF-PSLIRLAXSA-N -1 3 291.303 1.266 20 10 CDCDHM O=C(Nc1ccn2ccnc2c1)c1cccc(O)c1[O-] ZINC001148212053 932669183 /nfs/dbraw/zinc/66/91/83/932669183.db2.gz JNKPYNGJABGVJW-UHFFFAOYSA-N -1 3 269.260 1.998 20 10 CDCDHM CCN(C(=O)c1cc(O)c([O-])c(O)c1)C1CCOCC1 ZINC001148583790 932751539 /nfs/dbraw/zinc/75/15/39/932751539.db2.gz BJHLAWJZSCEOBJ-UHFFFAOYSA-N -1 3 281.308 1.445 20 10 CDCDHM O=C(NCc1ncn2ccccc12)c1cc(O)c([O-])c(O)c1 ZINC001148590797 932755191 /nfs/dbraw/zinc/75/51/91/932755191.db2.gz QBYZQOBJNCWWKV-UHFFFAOYSA-N -1 3 299.286 1.381 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)[C@H](O)c1cccnc1 ZINC001156170585 938327692 /nfs/dbraw/zinc/32/76/92/938327692.db2.gz QNIDKNOTZWJOJK-CYBMUJFWSA-N -1 3 276.267 1.276 20 10 CDCDHM CO[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC001158622540 938643200 /nfs/dbraw/zinc/64/32/00/938643200.db2.gz QWJZIVBAVAJKFP-CABZTGNLSA-N -1 3 265.309 1.595 20 10 CDCDHM CC[N@H+](CCn1cccn1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455988 942898976 /nfs/dbraw/zinc/89/89/76/942898976.db2.gz YZBZZSGJDMESFK-UHFFFAOYSA-N -1 3 289.335 1.809 20 10 CDCDHM CC[N@@H+](CCn1cccn1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455988 942898980 /nfs/dbraw/zinc/89/89/80/942898980.db2.gz YZBZZSGJDMESFK-UHFFFAOYSA-N -1 3 289.335 1.809 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c([O-])c1 ZINC001231456022 942899084 /nfs/dbraw/zinc/89/90/84/942899084.db2.gz ZSVXAQCMVFYLLU-IKARSPCKSA-N -1 3 289.331 1.700 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c([O-])c1 ZINC001231456022 942899088 /nfs/dbraw/zinc/89/90/88/942899088.db2.gz ZSVXAQCMVFYLLU-IKARSPCKSA-N -1 3 289.331 1.700 20 10 CDCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC001237935177 945009122 /nfs/dbraw/zinc/00/91/22/945009122.db2.gz RAOLDPFPELUUKD-BXKDBHETSA-N -1 3 289.734 1.360 20 10 CDCDHM C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593207877 994219471 /nfs/dbraw/zinc/21/94/71/994219471.db2.gz FDAKYOXBIUVRDA-SKDRFNHKSA-N -1 3 279.336 1.902 20 10 CDCDHM COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599157071 998390728 /nfs/dbraw/zinc/39/07/28/998390728.db2.gz VVYQQIGBAHBLLT-BONVTDFDSA-N -1 3 297.351 1.529 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@H]2C(=O)NCC[C@@H]2C)c1[O-] ZINC000193595822 342565995 /nfs/dbraw/zinc/56/59/95/342565995.db2.gz OHZHRYGKFSEKJS-ISVAXAHUSA-N -1 3 294.326 1.348 20 10 CDCDHM CC(C)(C)[S@@](=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000187089269 357726464 /nfs/dbraw/zinc/72/64/64/357726464.db2.gz KXGMGANMBBVZIE-IBGZPJMESA-N -1 3 285.365 1.375 20 10 CDCDHM CCC[C@]1(C)C(=O)NCCN1Cc1ccccc1[O-] ZINC000189038560 357964841 /nfs/dbraw/zinc/96/48/41/357964841.db2.gz XWODXPFGFDBGFH-OAHLLOKOSA-N -1 3 262.353 1.883 20 10 CDCDHM CCC[C@@]1(C)C(=O)NCCN1Cc1ccccc1[O-] ZINC000189038585 357964872 /nfs/dbraw/zinc/96/48/72/357964872.db2.gz XWODXPFGFDBGFH-HNNXBMFYSA-N -1 3 262.353 1.883 20 10 CDCDHM CC(=O)N1CCC(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000193023049 358259328 /nfs/dbraw/zinc/25/93/28/358259328.db2.gz GVEHGCAYIGQMFO-UHFFFAOYSA-N -1 3 292.335 1.086 20 10 CDCDHM CCOC(=O)CN(C(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000272730286 365369363 /nfs/dbraw/zinc/36/93/63/365369363.db2.gz GVGDHOWTNMACRH-UHFFFAOYSA-N -1 3 295.335 1.820 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCCC2(C1)OCCO2 ZINC000273794228 365523273 /nfs/dbraw/zinc/52/32/73/365523273.db2.gz VVPWMPMGCQKKNT-UHFFFAOYSA-N -1 3 267.300 1.870 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCC2(C)OCCO2)c1 ZINC000273548810 365506552 /nfs/dbraw/zinc/50/65/52/365506552.db2.gz ZXOVUZCXYZDHHP-SNVBAGLBSA-N -1 3 295.335 1.592 20 10 CDCDHM CC[C@@H](NCCS(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000285910518 368672390 /nfs/dbraw/zinc/67/23/90/368672390.db2.gz DFLJRLYWKXEAMP-LLVKDONJSA-N -1 3 275.345 1.617 20 10 CDCDHM CC(C)c1nc(CNC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC000295511673 371317455 /nfs/dbraw/zinc/31/74/55/371317455.db2.gz UFDIGJIVBIIZHR-UHFFFAOYSA-N -1 3 294.286 1.408 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)C[C@H](C)O)c1[O-] ZINC000051839014 390477984 /nfs/dbraw/zinc/47/79/84/390477984.db2.gz SCDUNPCUAFXJGI-QMMMGPOBSA-N -1 3 255.289 1.547 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@H]2CCSC2)c([O-])c1O ZINC000182907965 391246998 /nfs/dbraw/zinc/24/69/98/391246998.db2.gz IMBWCHKCODTQBJ-VIFPVBQESA-N -1 3 267.350 1.984 20 10 CDCDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1ccccc1[O-] ZINC000179575390 391211607 /nfs/dbraw/zinc/21/16/07/391211607.db2.gz STURPCRPMRHOHM-NSHDSACASA-N -1 3 271.382 1.647 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCC(=O)NC(C)C)c1 ZINC000273438497 277160993 /nfs/dbraw/zinc/16/09/93/277160993.db2.gz XTUMRDDDUSUCQG-JTQLQIEISA-N -1 3 294.351 1.354 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2cn[nH]c2)CC1 ZINC000376549947 327716389 /nfs/dbraw/zinc/71/63/89/327716389.db2.gz BSOALQRJXTZQRZ-UHFFFAOYSA-N -1 3 287.319 1.841 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377701303 329025724 /nfs/dbraw/zinc/02/57/24/329025724.db2.gz SOLJMDGYRJZDOK-HIFRSBDPSA-N -1 3 281.327 1.911 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CC[C@H](N2CCOCC2)C1 ZINC000134129621 334081737 /nfs/dbraw/zinc/08/17/37/334081737.db2.gz SOJVIRSJLRPLEG-AWEZNQCLSA-N -1 3 296.798 1.952 20 10 CDCDHM Cc1nnc([C@@H](C)NC(=O)c2cccc(O)c2[O-])o1 ZINC000790881913 1162174758 /nfs/dbraw/zinc/17/47/58/1162174758.db2.gz HHHPKJDUOSUBFG-ZCFIWIBFSA-N -1 3 263.253 1.280 20 10 CDCDHM COc1c([O-])c(CNc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000278854757 521881482 /nfs/dbraw/zinc/88/14/82/521881482.db2.gz LHABFRATIKVWLF-UHFFFAOYSA-N -1 3 278.268 1.655 20 10 CDCDHM NC(=O)CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280034152 526864073 /nfs/dbraw/zinc/86/40/73/526864073.db2.gz YMPYIBGHFUBBLX-UHFFFAOYSA-N -1 3 292.335 1.216 20 10 CDCDHM O=C(N[C@H]1CCC[C@H]1CCO)c1cccc(O)c1[O-] ZINC000280422242 527036675 /nfs/dbraw/zinc/03/66/75/527036675.db2.gz ITFAAFQHQRBXIZ-ONGXEEELSA-N -1 3 265.309 1.379 20 10 CDCDHM Cc1cccc([O-])c1C[N@@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC001600543415 1174500391 /nfs/dbraw/zinc/50/03/91/1174500391.db2.gz VKHVYLXIJSOMJW-NSHDSACASA-N -1 3 281.377 1.950 20 10 CDCDHM Cc1cccc([O-])c1C[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC001600543415 1174500402 /nfs/dbraw/zinc/50/04/02/1174500402.db2.gz VKHVYLXIJSOMJW-NSHDSACASA-N -1 3 281.377 1.950 20 10 CDCDHM CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353528 575088203 /nfs/dbraw/zinc/08/82/03/575088203.db2.gz SMYXLSTYKTTWLD-YUMQZZPRSA-N -1 3 271.338 1.914 20 10 CDCDHM O=C(NCc1cccc(Br)c1[O-])c1nnc[nH]1 ZINC000765764443 576052432 /nfs/dbraw/zinc/05/24/32/576052432.db2.gz KDWIFTYEVFURRB-UHFFFAOYSA-N -1 3 297.112 1.203 20 10 CDCDHM CCOc1ccc(CN(C)CC(=O)N2CCCC2)c([O-])c1 ZINC000768215716 576265178 /nfs/dbraw/zinc/26/51/78/576265178.db2.gz XCOSRHNWFUYABH-UHFFFAOYSA-N -1 3 292.379 1.845 20 10 CDCDHM CC1(C)CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768440806 576282699 /nfs/dbraw/zinc/28/26/99/576282699.db2.gz YXLFUVKEKZOEQP-ZDUSSCGKSA-N -1 3 279.336 1.429 20 10 CDCDHM COc1cccc([O-])c1CN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000769193359 576336989 /nfs/dbraw/zinc/33/69/89/576336989.db2.gz XZRRWVFGAXPYMH-STQMWFEESA-N -1 3 290.363 1.644 20 10 CDCDHM CCCOC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000745002175 576709593 /nfs/dbraw/zinc/70/95/93/576709593.db2.gz HXPVLGGNOGTRBB-ZETCQYMHSA-N -1 3 258.295 1.952 20 10 CDCDHM CCOC(=O)[C@H](C)NCc1c([O-])cccc1OC ZINC000763277300 576728437 /nfs/dbraw/zinc/72/84/37/576728437.db2.gz KINABWJKQORYIQ-VIFPVBQESA-N -1 3 253.298 1.442 20 10 CDCDHM CC(C)N1CC[C@@H](OC(=O)c2cc([O-])cs2)C1=O ZINC000746982544 576854734 /nfs/dbraw/zinc/85/47/34/576854734.db2.gz OFDRCXQRDGYFOF-SECBINFHSA-N -1 3 269.322 1.620 20 10 CDCDHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc([O-])cs1 ZINC000754046074 576875498 /nfs/dbraw/zinc/87/54/98/576875498.db2.gz OLJPBQYPBDCGGS-WCBMZHEXSA-N -1 3 271.338 1.378 20 10 CDCDHM O=C(NC[C@H](O)c1ccncc1)c1cc([O-])cs1 ZINC000750540385 576994851 /nfs/dbraw/zinc/99/48/51/576994851.db2.gz ZEHMUJIWFXQMII-JTQLQIEISA-N -1 3 264.306 1.312 20 10 CDCDHM Cc1ccc(C(=O)NC2COC(C)(C)OC2)c([O-])c1O ZINC000756733276 577002307 /nfs/dbraw/zinc/00/23/07/577002307.db2.gz NSGORCMANFGUAG-UHFFFAOYSA-N -1 3 281.308 1.288 20 10 CDCDHM CCCCN(CC(N)=O)C(=O)c1cc([O-])cs1 ZINC000757916497 577060535 /nfs/dbraw/zinc/06/05/35/577060535.db2.gz WGUOBYSJFCCKHO-UHFFFAOYSA-N -1 3 256.327 1.181 20 10 CDCDHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([O-])cs1 ZINC000758348402 577100478 /nfs/dbraw/zinc/10/04/78/577100478.db2.gz VAOZMPPSJIPGOV-LDYMZIIASA-N -1 3 266.366 1.666 20 10 CDCDHM Cc1ccncc1C=CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893206979 617462951 /nfs/dbraw/zinc/46/29/51/617462951.db2.gz JKBBLTIKLORBEI-PLNGDYQASA-N -1 3 296.330 1.878 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CC2(C1)CCOC2 ZINC000894868075 619110510 /nfs/dbraw/zinc/11/05/10/619110510.db2.gz AHFOBXZIQOPKFH-UHFFFAOYSA-N -1 3 255.264 1.893 20 10 CDCDHM C[C@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000895326469 619563716 /nfs/dbraw/zinc/56/37/16/619563716.db2.gz YCMHYRHZKKQUQL-NOZJJQNGSA-N -1 3 289.734 1.502 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898192430 621387967 /nfs/dbraw/zinc/38/79/67/621387967.db2.gz IUUSZYQWBQACMO-ZYHUDNBSSA-N -1 3 259.708 1.950 20 10 CDCDHM CN(CCC(N)=O)Cc1c([O-])ccc(Cl)c1F ZINC000809713215 1163076937 /nfs/dbraw/zinc/07/69/37/1163076937.db2.gz DIJUBCDLKISBKO-UHFFFAOYSA-N -1 3 260.696 1.492 20 10 CDCDHM Cc1ccnc(N2Cc3cccc(O)c3C2)c1-c1nnn[n-]1 ZINC001605954974 1163725786 /nfs/dbraw/zinc/72/57/86/1163725786.db2.gz MEQUKWLGFNOACU-UHFFFAOYSA-N -1 3 294.318 1.796 20 10 CDCDHM Cc1ccnc(N2Cc3cccc(O)c3C2)c1-c1nn[n-]n1 ZINC001605954974 1163725791 /nfs/dbraw/zinc/72/57/91/1163725791.db2.gz MEQUKWLGFNOACU-UHFFFAOYSA-N -1 3 294.318 1.796 20 10 CDCDHM Cc1cc(CN2CCN(CC(=O)[O-])CC2)ccc1N(C)C ZINC001607641064 1164250996 /nfs/dbraw/zinc/25/09/96/1164250996.db2.gz NLUHLEYWAKCUNB-UHFFFAOYSA-N -1 3 291.395 1.263 20 10 CDCDHM Cc1cccc(O)c1CN1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001607858051 1164313823 /nfs/dbraw/zinc/31/38/23/1164313823.db2.gz DDBGLLSGMLAUQG-UHFFFAOYSA-N -1 3 287.319 1.680 20 10 CDCDHM Cc1ccc(O)c(CNc2cc(-c3nnn[n-]3)cnn2)c1 ZINC001592185773 1173831258 /nfs/dbraw/zinc/83/12/58/1173831258.db2.gz BKRSPIVAGAYNMH-UHFFFAOYSA-N -1 3 283.295 1.283 20 10 CDCDHM Cc1ccc(O)c(CNc2cc(-c3nn[n-]n3)cnn2)c1 ZINC001592185773 1173831263 /nfs/dbraw/zinc/83/12/63/1173831263.db2.gz BKRSPIVAGAYNMH-UHFFFAOYSA-N -1 3 283.295 1.283 20 10 CDCDHM CC[C@@H](COC)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604039109 1175730204 /nfs/dbraw/zinc/73/02/04/1175730204.db2.gz GFKQKSHILMREAU-ZJUUUORDSA-N -1 3 291.355 1.648 20 10 CDCDHM CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001610043064 1165195678 /nfs/dbraw/zinc/19/56/78/1165195678.db2.gz BIBUYSQPMDZVTM-ZWNOBZJWSA-N -1 3 279.336 1.943 20 10 CDCDHM CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001610043064 1165195680 /nfs/dbraw/zinc/19/56/80/1165195680.db2.gz BIBUYSQPMDZVTM-ZWNOBZJWSA-N -1 3 279.336 1.943 20 10 CDCDHM O=C(Nc1ccc(-n2cccn2)nc1)c1cccc(O)c1[O-] ZINC000188126445 784152254 /nfs/dbraw/zinc/15/22/54/784152254.db2.gz FEPHIXYGEANDDV-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N(CCO)Cc1ccccc1 ZINC000126375324 784647862 /nfs/dbraw/zinc/64/78/62/784647862.db2.gz WPPZVOQCGBLXBL-UHFFFAOYSA-N -1 3 287.315 1.733 20 10 CDCDHM O=C(NC1([C@@H]2CCCCO2)CC1)c1cccc(O)c1[O-] ZINC000887090312 785490565 /nfs/dbraw/zinc/49/05/65/785490565.db2.gz IVOXBNSUJVCGMS-LBPRGKRZSA-N -1 3 277.320 1.929 20 10 CDCDHM O=C(Nc1cccc(-n2ccnn2)c1)c1cccc(O)c1[O-] ZINC000185867804 785850150 /nfs/dbraw/zinc/85/01/50/785850150.db2.gz NKILOPHGWWDLET-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM O=C(N[C@H](CO)c1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000790916693 785866945 /nfs/dbraw/zinc/86/69/45/785866945.db2.gz MZACUBMESGZHGJ-GFCCVEGCSA-N -1 3 291.278 1.700 20 10 CDCDHM CC(C)NC(=O)[C@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000777743469 786618012 /nfs/dbraw/zinc/61/80/12/786618012.db2.gz BJLMAPLUJVGGFS-VIFPVBQESA-N -1 3 281.312 1.303 20 10 CDCDHM CC[C@@H](C[C@H](C)CO)NC(=O)c1cccc(O)c1[O-] ZINC000790911654 786807997 /nfs/dbraw/zinc/80/79/97/786807997.db2.gz TUNKHNYHXJUCET-UWVGGRQHSA-N -1 3 267.325 1.625 20 10 CDCDHM CC[C@]1(O)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000710581015 788068592 /nfs/dbraw/zinc/06/85/92/788068592.db2.gz GJMDZTKADMMGCF-AWEZNQCLSA-N -1 3 265.309 1.475 20 10 CDCDHM C[C@H]1OCC[C@]1(C)NC(=O)c1cccc(O)c1[O-] ZINC000229417770 788694283 /nfs/dbraw/zinc/69/42/83/788694283.db2.gz OEFQDXOEUTVGBP-OQPBUACISA-N -1 3 251.282 1.395 20 10 CDCDHM Cc1cc([O-])c(CN2CCO[C@@H](C(N)=O)C2)cc1Cl ZINC000824649148 789721911 /nfs/dbraw/zinc/72/19/11/789721911.db2.gz AMVAEKHEXSNZKU-GFCCVEGCSA-N -1 3 284.743 1.040 20 10 CDCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCN(C)C1=O ZINC000708398529 897542050 /nfs/dbraw/zinc/54/20/50/897542050.db2.gz GFWGXZXUHGWAPQ-NSHDSACASA-N -1 3 270.279 1.333 20 10 CDCDHM COC(=O)C1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137832589 936418240 /nfs/dbraw/zinc/41/82/40/936418240.db2.gz AJBDDNMOIJJUEX-UHFFFAOYSA-N -1 3 267.300 1.916 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCN1C ZINC001140342179 936703530 /nfs/dbraw/zinc/70/35/30/936703530.db2.gz VZHXQQZVESWVBR-LBPRGKRZSA-N -1 3 298.770 1.335 20 10 CDCDHM COC(=O)C1(O)CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140342407 936703782 /nfs/dbraw/zinc/70/37/82/936703782.db2.gz IBKBXYQNVQVPLV-UHFFFAOYSA-N -1 3 299.754 1.546 20 10 CDCDHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CS1 ZINC000397873550 936708318 /nfs/dbraw/zinc/70/83/18/936708318.db2.gz UKEXBTLRYIJHGN-SFYZADRCSA-N -1 3 253.323 1.722 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN(CCCO)CC1 ZINC001137832817 922539707 /nfs/dbraw/zinc/53/97/07/922539707.db2.gz JGAXBWYMUBUSDV-UHFFFAOYSA-N -1 3 268.332 1.031 20 10 CDCDHM CN1CCC[C@](C)(NC(=O)c2cc(O)c([O-])c(Cl)c2)C1 ZINC001193634355 923822428 /nfs/dbraw/zinc/82/24/28/923822428.db2.gz VEMNLBUQWRNFLT-AWEZNQCLSA-N -1 3 298.770 1.965 20 10 CDCDHM C[C@H]1CC[C@@H](CO)CN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583068 932751552 /nfs/dbraw/zinc/75/15/52/932751552.db2.gz RHUGMDBMIQKDQH-DTWKUNHWSA-N -1 3 281.308 1.036 20 10 CDCDHM C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cncnc1 ZINC001148589997 932754839 /nfs/dbraw/zinc/75/48/39/932754839.db2.gz UVWVNXMKGSWROD-SSDOTTSWSA-N -1 3 275.264 1.084 20 10 CDCDHM NC(=O)c1csc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001156170472 938327636 /nfs/dbraw/zinc/32/76/36/938327636.db2.gz NOLKIZUULLHJGO-UHFFFAOYSA-N -1 3 294.307 1.622 20 10 CDCDHM O=C1O[C@H]2C[C@@H]1N(Cc1cc(Br)ccc1[O-])C2 ZINC001203650540 939699629 /nfs/dbraw/zinc/69/96/29/939699629.db2.gz WNQZMYJDNLZKOX-UWVGGRQHSA-N -1 3 298.136 1.654 20 10 CDCDHM O=C1COC[C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC001203663979 939700259 /nfs/dbraw/zinc/70/02/59/939700259.db2.gz JJHPDJGCWHKWAN-LBPRGKRZSA-N -1 3 296.754 1.089 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)CO1 ZINC000403828486 940936062 /nfs/dbraw/zinc/93/60/62/940936062.db2.gz AGAORSDLGHRMAV-VHSXEESVSA-N -1 3 265.309 1.737 20 10 CDCDHM C[C@]1(O)COCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935233 945009886 /nfs/dbraw/zinc/00/98/86/945009886.db2.gz SOECFTINJQONKS-CYBMUJFWSA-N -1 3 289.734 1.768 20 10 CDCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)cnn1 ZINC001303876304 945823998 /nfs/dbraw/zinc/82/39/98/945823998.db2.gz YKAYFMINRIUHKN-UHFFFAOYSA-N -1 3 261.256 1.560 20 10 CDCDHM C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218549 994287237 /nfs/dbraw/zinc/28/72/37/994287237.db2.gz GUHWJLWFEADPGU-CKLFPEKLSA-N -1 3 279.336 1.900 20 10 CDCDHM COc1cccc([O-])c1C[NH2+]CC1(C(=O)[O-])CC1 ZINC001599680128 994965660 /nfs/dbraw/zinc/96/56/60/994965660.db2.gz BCHMFCFXHBJBAE-UHFFFAOYSA-N -1 3 251.282 1.355 20 10 CDCDHM COc1cc(C)c(C[NH2+]C[C@@]2(C(=O)[O-])CCOC2)c([O-])c1 ZINC001599391227 997040220 /nfs/dbraw/zinc/04/02/20/997040220.db2.gz MBYZSFXQNDOIAZ-HNNXBMFYSA-N -1 3 295.335 1.290 20 10 CDCDHM CCOc1ccc([O-])c([C@@H]2NC(=O)CN2CC(C)C)c1 ZINC000077474355 342328837 /nfs/dbraw/zinc/32/88/37/342328837.db2.gz YHKDEZXUIIHJBQ-OAHLLOKOSA-N -1 3 278.352 1.877 20 10 CDCDHM NC(=O)[C@@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000179885898 357228505 /nfs/dbraw/zinc/22/85/05/357228505.db2.gz JTFQFIPPGFGEDW-NSHDSACASA-N -1 3 252.289 1.371 20 10 CDCDHM Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC000363918370 357495676 /nfs/dbraw/zinc/49/56/76/357495676.db2.gz HTPDZPKWKYFAIO-LLVKDONJSA-N -1 3 299.330 1.484 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCO[C@@]2(CCOC2)C1 ZINC000187533379 357776553 /nfs/dbraw/zinc/77/65/53/357776553.db2.gz RBONIYXFROAFEE-AWEZNQCLSA-N -1 3 267.300 1.523 20 10 CDCDHM Cc1c([C@@H](C)NC(=O)c2cccc(O)c2[O-])cnn1C ZINC000192981185 358254751 /nfs/dbraw/zinc/25/47/51/358254751.db2.gz CETHTWFGWACHCM-MRVPVSSYSA-N -1 3 275.308 1.631 20 10 CDCDHM O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cccc(O)c1[O-] ZINC000193164498 358271058 /nfs/dbraw/zinc/27/10/58/358271058.db2.gz GKFLKORRCNLQEN-GXFFZTMASA-N -1 3 277.320 1.785 20 10 CDCDHM COCC1(O)CN(Cc2c([O-])cccc2Cl)C1 ZINC000297628722 200246237 /nfs/dbraw/zinc/24/62/37/200246237.db2.gz WKBXDUGNXGPGPK-UHFFFAOYSA-N -1 3 257.717 1.239 20 10 CDCDHM NC(=O)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092754112 360284205 /nfs/dbraw/zinc/28/42/05/360284205.db2.gz DYDJABWXTSLMQE-UHFFFAOYSA-N -1 3 283.759 1.632 20 10 CDCDHM CCCOc1ccc(CN2CCNC(=O)[C@@H]2C)c([O-])c1 ZINC000123497913 360290640 /nfs/dbraw/zinc/29/06/40/360290640.db2.gz AXJUFHKTXOEPJK-NSHDSACASA-N -1 3 278.352 1.501 20 10 CDCDHM Cc1ccc(C(=O)NCCOCC2CC2)c([O-])c1O ZINC000272708403 365360010 /nfs/dbraw/zinc/36/00/10/365360010.db2.gz CCQAMJJNBJSKFJ-UHFFFAOYSA-N -1 3 265.309 1.563 20 10 CDCDHM CC[C@H](C)NC(=O)CN(C)Cc1ccccc1[O-] ZINC000171937068 365433385 /nfs/dbraw/zinc/43/33/85/365433385.db2.gz TVKRLTJQHSEFIG-NSHDSACASA-N -1 3 250.342 1.739 20 10 CDCDHM Cc1ccc(C(=O)NCCC[C@H](C)CO)c([O-])c1O ZINC000272928918 365447579 /nfs/dbraw/zinc/44/75/79/365447579.db2.gz FZZXWSVATMHNLG-VIFPVBQESA-N -1 3 267.325 1.545 20 10 CDCDHM CCN(Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCNC1=O ZINC000281733287 367679309 /nfs/dbraw/zinc/67/93/09/367679309.db2.gz JJOSHEJGJUKPHR-LLVKDONJSA-N -1 3 298.770 1.765 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@H]2CCOC2)CC1 ZINC000375677296 370904393 /nfs/dbraw/zinc/90/43/93/370904393.db2.gz JFDVAQGYQYZMEU-LBPRGKRZSA-N -1 3 291.347 1.987 20 10 CDCDHM NC(=O)CC1CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000297388061 371987653 /nfs/dbraw/zinc/98/76/53/371987653.db2.gz KIRODTXYVZVAFM-UHFFFAOYSA-N -1 3 272.707 1.492 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN(C)CCC(N)=O)c1[O-] ZINC000286278831 377880089 /nfs/dbraw/zinc/88/00/89/377880089.db2.gz CHFAOAYHUHMIAX-UHFFFAOYSA-N -1 3 284.743 1.555 20 10 CDCDHM O=C(NC[C@@H]1CCCOC1)c1cccc(O)c1[O-] ZINC000126358548 260351641 /nfs/dbraw/zinc/35/16/41/260351641.db2.gz QSBIPUOONKAKIN-VIFPVBQESA-N -1 3 251.282 1.254 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CSCCS2)c([O-])c1O ZINC000272546635 263006296 /nfs/dbraw/zinc/00/62/96/263006296.db2.gz ACDYCFIQGOWTME-VIFPVBQESA-N -1 3 299.417 1.985 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)c2ncnn2C)c([O-])c1O ZINC000276934529 328220287 /nfs/dbraw/zinc/22/02/87/328220287.db2.gz VUMPHXHUBLVJQL-MRVPVSSYSA-N -1 3 276.296 1.026 20 10 CDCDHM CC1(CNC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000229413232 333304694 /nfs/dbraw/zinc/30/46/94/333304694.db2.gz BIKIWDYATVYWCA-UHFFFAOYSA-N -1 3 265.309 1.644 20 10 CDCDHM O=S(=O)(Nc1ccc([O-])c(F)c1)C1CCOCC1 ZINC000085200957 1161233638 /nfs/dbraw/zinc/23/36/38/1161233638.db2.gz SKDFLTIYYZNRDV-UHFFFAOYSA-N -1 3 275.301 1.452 20 10 CDCDHM CC(C)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000276612385 519680385 /nfs/dbraw/zinc/68/03/85/519680385.db2.gz PSDQHQXQEJWZCR-UHFFFAOYSA-N -1 3 282.315 1.403 20 10 CDCDHM CCN(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048923363 520544909 /nfs/dbraw/zinc/54/49/09/520544909.db2.gz AXJSRMABACYTMP-UHFFFAOYSA-N -1 3 286.353 1.246 20 10 CDCDHM C[C@H]1C[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000049249458 524844656 /nfs/dbraw/zinc/84/46/56/524844656.db2.gz PWTMHOWATNMLRC-DTWKUNHWSA-N -1 3 298.364 1.150 20 10 CDCDHM NC(=O)[C@H](NC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731864621 575066464 /nfs/dbraw/zinc/06/64/64/575066464.db2.gz AMICRHYGQSQQTD-LLVKDONJSA-N -1 3 276.317 1.410 20 10 CDCDHM C[C@H](C[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CC1)C(=O)[O-] ZINC000736583250 575697691 /nfs/dbraw/zinc/69/76/91/575697691.db2.gz LZTYXKXNAPSREL-SECBINFHSA-N -1 3 293.319 1.806 20 10 CDCDHM C[C@H](C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CC1)C(=O)[O-] ZINC000736583250 575697694 /nfs/dbraw/zinc/69/76/94/575697694.db2.gz LZTYXKXNAPSREL-SECBINFHSA-N -1 3 293.319 1.806 20 10 CDCDHM COc1cccc([O-])c1CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000768138539 576260352 /nfs/dbraw/zinc/26/03/52/576260352.db2.gz OCRNHQYEEUMDQI-SNVBAGLBSA-N -1 3 285.365 1.020 20 10 CDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CC(C)(C)O1 ZINC000768441530 576283612 /nfs/dbraw/zinc/28/36/12/576283612.db2.gz DBSYLOXVBRPXTE-YGRLFVJLSA-N -1 3 293.363 1.817 20 10 CDCDHM CC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H](C)O1 ZINC000768447274 576284018 /nfs/dbraw/zinc/28/40/18/576284018.db2.gz NXTBZXSBJWEKSM-NVBFEUDRSA-N -1 3 293.363 1.817 20 10 CDCDHM O=C1CN(Cc2ccccc2[O-])CN1CC(F)(F)F ZINC000754154852 576882539 /nfs/dbraw/zinc/88/25/39/576882539.db2.gz RSQAOXPWNICABN-UHFFFAOYSA-N -1 3 274.242 1.556 20 10 CDCDHM O=C(N[C@H]1COC[C@H]1C1CC1)c1cccc(O)c1[O-] ZINC000891047789 617356258 /nfs/dbraw/zinc/35/62/58/617356258.db2.gz GQRQIZKXWJHMJP-QWRGUYRKSA-N -1 3 263.293 1.253 20 10 CDCDHM CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607002289 1164057351 /nfs/dbraw/zinc/05/73/51/1164057351.db2.gz DFWTUGQEXMDFAB-RGZBUGHASA-N -1 3 265.309 1.918 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1C=CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952014 1173208793 /nfs/dbraw/zinc/20/87/93/1173208793.db2.gz MYMNYXYZPVEEHV-NXEZZACHSA-N -1 3 271.324 1.942 20 10 CDCDHM C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978576 1173221535 /nfs/dbraw/zinc/22/15/35/1173221535.db2.gz OWWOJUCPTVUBNP-LPEHRKFASA-N -1 3 273.340 1.879 20 10 CDCDHM Oc1ccc(O)c(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001593539800 1174112658 /nfs/dbraw/zinc/11/26/58/1174112658.db2.gz FYFMTQQENUYYNJ-UHFFFAOYSA-N -1 3 284.279 1.285 20 10 CDCDHM Oc1ccc(O)c(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001593539800 1174112665 /nfs/dbraw/zinc/11/26/65/1174112665.db2.gz FYFMTQQENUYYNJ-UHFFFAOYSA-N -1 3 284.279 1.285 20 10 CDCDHM Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001600236797 1174419753 /nfs/dbraw/zinc/41/97/53/1174419753.db2.gz MJQILMCFFDMZCN-KGLIPLIRSA-N -1 3 278.352 1.081 20 10 CDCDHM O=C([O-])[C@H](C[C@H]1CCCO1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601640800 1174923377 /nfs/dbraw/zinc/92/33/77/1174923377.db2.gz FMQQAHHGDASHPN-NEPJUHHUSA-N -1 3 283.299 1.643 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1CO ZINC000126279339 1175448525 /nfs/dbraw/zinc/44/85/25/1175448525.db2.gz XAHCASWTWGAOCE-VIFPVBQESA-N -1 3 251.282 1.085 20 10 CDCDHM CC[C@](C)(CNC(=O)c1cccc(O)c1[O-])OC ZINC000323065497 1186803974 /nfs/dbraw/zinc/80/39/74/1186803974.db2.gz LXWYZBHNEQDQTK-CYBMUJFWSA-N -1 3 253.298 1.643 20 10 CDCDHM CCCN(CC(N)=O)Cc1cc(F)cc(F)c1[O-] ZINC000708382059 790324090 /nfs/dbraw/zinc/32/40/90/790324090.db2.gz DQJXBLCOQVPHCF-UHFFFAOYSA-N -1 3 258.268 1.368 20 10 CDCDHM Cc1ccc(C(=O)Nc2c[nH]ccc2=O)c([O-])c1O ZINC000780921810 790384212 /nfs/dbraw/zinc/38/42/12/790384212.db2.gz FIAPQKUXISXWBZ-UHFFFAOYSA-N -1 3 260.249 1.347 20 10 CDCDHM O=C(Nc1cnn(-c2ccccc2)n1)c1cccc(O)c1[O-] ZINC000790911878 790458129 /nfs/dbraw/zinc/45/81/29/790458129.db2.gz UVOBAWQEIKPFCH-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM Cc1cc([O-])c(CN(C)CCS(C)(=O)=O)cc1Cl ZINC000824568091 789872342 /nfs/dbraw/zinc/87/23/42/789872342.db2.gz ZGEXKYICPVEFTB-UHFFFAOYSA-N -1 3 291.800 1.830 20 10 CDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C=CCC2)c1 ZINC000855428080 789885908 /nfs/dbraw/zinc/88/59/08/789885908.db2.gz SFOMWCVQEVNURV-SECBINFHSA-N -1 3 296.348 1.212 20 10 CDCDHM Cn1cc(CNCc2cc(F)cc(F)c2[O-])nn1 ZINC000708556730 790024079 /nfs/dbraw/zinc/02/40/79/790024079.db2.gz XEQWLHOBAKKZFD-UHFFFAOYSA-N -1 3 254.240 1.089 20 10 CDCDHM CNC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000825479435 790032715 /nfs/dbraw/zinc/03/27/15/790032715.db2.gz NYTPTNIMLKYILT-ZDUSSCGKSA-N -1 3 298.770 1.301 20 10 CDCDHM CN1CCN(Cc2cccc(Cl)c2[O-])[C@@H](CO)C1 ZINC000877645011 791730001 /nfs/dbraw/zinc/73/00/01/791730001.db2.gz YEUOPUHFHOFPKD-LLVKDONJSA-N -1 3 270.760 1.154 20 10 CDCDHM Cn1nc(C2CC2)cc1CNC(=O)c1cccc(O)c1[O-] ZINC000885827533 792395587 /nfs/dbraw/zinc/39/55/87/792395587.db2.gz GZBFKRCYRVVQRS-UHFFFAOYSA-N -1 3 287.319 1.639 20 10 CDCDHM O=C([O-])c1cnn2c1[nH]c(CN1CCCCCC1)cc2=O ZINC000846227651 792554707 /nfs/dbraw/zinc/55/47/07/792554707.db2.gz DSCQBSPQOYZZOG-UHFFFAOYSA-N -1 3 290.323 1.509 20 10 CDCDHM COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000857328988 792819949 /nfs/dbraw/zinc/81/99/49/792819949.db2.gz ALADIDAUSQGCKM-GXSJLCMTSA-N -1 3 293.319 1.512 20 10 CDCDHM O=C([O-])C[N@@H+](Cc1cc(F)ccc1[O-])CC1CC1 ZINC000236420615 792841169 /nfs/dbraw/zinc/84/11/69/792841169.db2.gz FNIBXDCKUSUJIX-UHFFFAOYSA-N -1 3 253.273 1.828 20 10 CDCDHM O=C([O-])C[N@H+](Cc1cc(F)ccc1[O-])CC1CC1 ZINC000236420615 792841170 /nfs/dbraw/zinc/84/11/70/792841170.db2.gz FNIBXDCKUSUJIX-UHFFFAOYSA-N -1 3 253.273 1.828 20 10 CDCDHM Cc1cc(=O)n(C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000185785681 793452228 /nfs/dbraw/zinc/45/22/28/793452228.db2.gz KHYCRIWBUODSFT-UHFFFAOYSA-N -1 3 274.276 1.357 20 10 CDCDHM COC1([C@H](C)NC(=O)c2cccc(O)c2[O-])CCC1 ZINC000839877093 793895862 /nfs/dbraw/zinc/89/58/62/793895862.db2.gz IOPUGWVPRQKCLG-VIFPVBQESA-N -1 3 265.309 1.785 20 10 CDCDHM C[C@@H]1CS(=O)(=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000179771711 794392282 /nfs/dbraw/zinc/39/22/82/794392282.db2.gz QVTRVTKOXVDAQM-SECBINFHSA-N -1 3 289.784 1.665 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](n2ccnc2)C1 ZINC000790643266 794618967 /nfs/dbraw/zinc/61/89/67/794618967.db2.gz LDXGHKUXVZTLEE-LLVKDONJSA-N -1 3 287.319 1.772 20 10 CDCDHM C[C@H](CO)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000846470123 795561273 /nfs/dbraw/zinc/56/12/73/795561273.db2.gz FUBSXAYUMSYHRC-SNVBAGLBSA-N -1 3 279.336 1.578 20 10 CDCDHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(O)cc1SC ZINC000800842569 795636903 /nfs/dbraw/zinc/63/69/03/795636903.db2.gz YZFUBLIUOOQLKT-MRVPVSSYSA-N -1 3 291.394 1.891 20 10 CDCDHM O=C(NCCCC1(O)CCC1)c1cccc(O)c1[O-] ZINC000817647022 795959300 /nfs/dbraw/zinc/95/93/00/795959300.db2.gz JXWKIIPQVYNLPU-UHFFFAOYSA-N -1 3 265.309 1.523 20 10 CDCDHM C[C@H](C[S@](C)=O)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000708422246 795982772 /nfs/dbraw/zinc/98/27/72/795982772.db2.gz LACSQRXJUBJOQT-CVJBHZAOSA-N -1 3 277.336 1.869 20 10 CDCDHM Cn1ncc2c1CCN(Cc1cccc(F)c1[O-])C2 ZINC001138129684 936475617 /nfs/dbraw/zinc/47/56/17/936475617.db2.gz QXFKBPSRIMYVLF-UHFFFAOYSA-N -1 3 261.300 1.823 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1C[C@@H](F)C[C@H]1CO ZINC001140337864 936702892 /nfs/dbraw/zinc/70/28/92/936702892.db2.gz JWXKMEZORMBHNH-IUCAKERBSA-N -1 3 259.708 1.950 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)C1=C[S@@](=O)CCC1 ZINC001156178095 927364815 /nfs/dbraw/zinc/36/48/15/927364815.db2.gz VJYVKKBSLYPPBA-IBGZPJMESA-N -1 3 283.324 1.574 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](CO)CC(F)(F)C1 ZINC001148212333 932668218 /nfs/dbraw/zinc/66/82/18/932668218.db2.gz XTZRBHQKUNGMQY-QMMMGPOBSA-N -1 3 287.262 1.188 20 10 CDCDHM CC(C)NC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC001148224165 932671629 /nfs/dbraw/zinc/67/16/29/932671629.db2.gz FGAGYLKJRVCTPX-LBPRGKRZSA-N -1 3 294.351 1.377 20 10 CDCDHM O=C(NCC1(F)CCOCC1)c1cccc(O)c1[O-] ZINC001148219981 932671852 /nfs/dbraw/zinc/67/18/52/932671852.db2.gz IXVPCGTZQPLCBR-UHFFFAOYSA-N -1 3 269.272 1.346 20 10 CDCDHM CCN(CC(C)(C)O)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583962 932750684 /nfs/dbraw/zinc/75/06/84/932750684.db2.gz ISYPPQUBHZIKIO-UHFFFAOYSA-N -1 3 269.297 1.036 20 10 CDCDHM C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccno1 ZINC001148590748 932754993 /nfs/dbraw/zinc/75/49/93/932754993.db2.gz ONWWHLBLQDMCGC-LURJTMIESA-N -1 3 264.237 1.282 20 10 CDCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)n(C)n1 ZINC001156170361 938327628 /nfs/dbraw/zinc/32/76/28/938327628.db2.gz LVKRZLITIATSGW-UHFFFAOYSA-N -1 3 263.272 1.503 20 10 CDCDHM COC[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203664783 939700372 /nfs/dbraw/zinc/70/03/72/939700372.db2.gz VXCZNADWKLTDCR-LBPRGKRZSA-N -1 3 271.744 1.893 20 10 CDCDHM C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446824 942891549 /nfs/dbraw/zinc/89/15/49/942891549.db2.gz LFCMTJLAOUOPEN-KCJUWKMLSA-N -1 3 251.282 1.046 20 10 CDCDHM C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446824 942891552 /nfs/dbraw/zinc/89/15/52/942891552.db2.gz LFCMTJLAOUOPEN-KCJUWKMLSA-N -1 3 251.282 1.046 20 10 CDCDHM CO[C@H](C)C1C[NH+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453085 942895866 /nfs/dbraw/zinc/89/58/66/942895866.db2.gz BSSPOVKRPVKFBN-SECBINFHSA-N -1 3 265.309 1.557 20 10 CDCDHM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1COC1 ZINC001231563460 942927773 /nfs/dbraw/zinc/92/77/73/942927773.db2.gz AMQYUFWTLNHZAW-UHFFFAOYSA-N -1 3 251.282 1.169 20 10 CDCDHM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1COC1 ZINC001231563460 942927777 /nfs/dbraw/zinc/92/77/77/942927777.db2.gz AMQYUFWTLNHZAW-UHFFFAOYSA-N -1 3 251.282 1.169 20 10 CDCDHM C[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCO1 ZINC001232258579 943189903 /nfs/dbraw/zinc/18/99/03/943189903.db2.gz ATQOINMVVJKUPN-MRVPVSSYSA-N -1 3 257.717 1.972 20 10 CDCDHM CC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)C[C@H]1C ZINC001232263388 943194562 /nfs/dbraw/zinc/19/45/62/943194562.db2.gz OYRDFVFDQRRESA-SECBINFHSA-N -1 3 298.770 1.804 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](F)[C@@H](O)CC1 ZINC001233332528 943544768 /nfs/dbraw/zinc/54/47/68/943544768.db2.gz ODDFPSLHBFCUEA-SKDRFNHKSA-N -1 3 275.270 1.965 20 10 CDCDHM C[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C[C@@H]1O ZINC001233332138 943546604 /nfs/dbraw/zinc/54/66/04/943546604.db2.gz ABIKCIPHDDQBGQ-PELKAZGASA-N -1 3 257.280 1.873 20 10 CDCDHM CC(=O)N[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334712 943546924 /nfs/dbraw/zinc/54/69/24/943546924.db2.gz QOPLPWILFZFIDF-SNVBAGLBSA-N -1 3 284.306 1.771 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCN2CC[C@@H]2C1 ZINC001233336744 943549160 /nfs/dbraw/zinc/54/91/60/943549160.db2.gz XXRUANGCHMJFEH-SECBINFHSA-N -1 3 254.280 1.560 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)C[C@@H]1O ZINC001237125051 944659957 /nfs/dbraw/zinc/65/99/57/944659957.db2.gz WFXCIYFOCBVACD-CPCISQLKSA-N -1 3 259.708 1.997 20 10 CDCDHM CNC(=O)CCN(C)Cc1c([O-])ccc(F)c1Cl ZINC001237123308 944660096 /nfs/dbraw/zinc/66/00/96/944660096.db2.gz CDAMVDRTJWOKRZ-UHFFFAOYSA-N -1 3 274.723 1.753 20 10 CDCDHM [O-]c1cccc(Cl)c1CNCc1nnc2n1CCOC2 ZINC001320827100 959413451 /nfs/dbraw/zinc/41/34/51/959413451.db2.gz LAUOSGZSBBMGFX-UHFFFAOYSA-N -1 3 294.742 1.457 20 10 CDCDHM CN(C)c1ccc(/C=C\CN[C@H](CF)C(=O)[O-])cc1 ZINC001598314572 991299839 /nfs/dbraw/zinc/29/98/39/991299839.db2.gz YJENBJFHRMSTHI-DHCBQETCSA-N -1 3 266.316 1.778 20 10 CDCDHM C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593198302 994169923 /nfs/dbraw/zinc/16/99/23/994169923.db2.gz PYLJOFDCPMVUHA-UWVGGRQHSA-N -1 3 279.336 1.902 20 10 CDCDHM COC(=O)C(C)(C)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000079401764 342344319 /nfs/dbraw/zinc/34/43/19/342344319.db2.gz LWOVAGZMJVPXDI-UHFFFAOYSA-N -1 3 283.299 1.775 20 10 CDCDHM CCOC(=O)C(C)(C)ONC(=O)c1cccc(O)c1[O-] ZINC000295558632 199562585 /nfs/dbraw/zinc/56/25/85/199562585.db2.gz MREWBXQUFNVVNZ-UHFFFAOYSA-N -1 3 283.280 1.101 20 10 CDCDHM COC[C@]1(C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000294091301 359705198 /nfs/dbraw/zinc/70/51/98/359705198.db2.gz BFVMMRXPXIMXCS-CQSZACIVSA-N -1 3 265.309 1.596 20 10 CDCDHM COCCn1cc(CN(C)Cc2ccccc2[O-])cn1 ZINC000271130791 364938368 /nfs/dbraw/zinc/93/83/68/364938368.db2.gz OKWXRNSMIAITSM-UHFFFAOYSA-N -1 3 275.352 1.867 20 10 CDCDHM CN(CC(=O)Nc1nncs1)Cc1ccccc1[O-] ZINC000171937382 365433764 /nfs/dbraw/zinc/43/37/64/365433764.db2.gz NUPYOQVKYVHMRQ-UHFFFAOYSA-N -1 3 278.337 1.314 20 10 CDCDHM Cc1ccc(C(=O)NCCC[C@@H](C)CO)c([O-])c1O ZINC000272928915 365446873 /nfs/dbraw/zinc/44/68/73/365446873.db2.gz FZZXWSVATMHNLG-SECBINFHSA-N -1 3 267.325 1.545 20 10 CDCDHM Cc1nccn1CCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294810278 371093679 /nfs/dbraw/zinc/09/36/79/371093679.db2.gz JKUAZJWYSIUPJW-UHFFFAOYSA-N -1 3 293.298 1.562 20 10 CDCDHM CN(Cc1c([O-])cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000132408263 390931954 /nfs/dbraw/zinc/93/19/54/390931954.db2.gz UNWDQEAWRQJLRB-VIFPVBQESA-N -1 3 289.784 1.665 20 10 CDCDHM CN(Cc1c([O-])cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000132408051 390931975 /nfs/dbraw/zinc/93/19/75/390931975.db2.gz UNWDQEAWRQJLRB-SECBINFHSA-N -1 3 289.784 1.665 20 10 CDCDHM CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000177684839 391174966 /nfs/dbraw/zinc/17/49/66/391174966.db2.gz YVMAWLLUSQTBFV-JTQLQIEISA-N -1 3 292.335 1.004 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000376231963 391218948 /nfs/dbraw/zinc/21/89/48/391218948.db2.gz UBXSTVABHHRFMW-AAEUAGOBSA-N -1 3 293.319 1.118 20 10 CDCDHM Cc1ccc(C(=O)NCCNC(=O)C(C)(C)C)c([O-])c1O ZINC000182276815 391233030 /nfs/dbraw/zinc/23/30/30/391233030.db2.gz SNOLSNUJVDQLFQ-UHFFFAOYSA-N -1 3 294.351 1.298 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCN(C(C)C)C2=O)c([O-])c1O ZINC000182450665 391234779 /nfs/dbraw/zinc/23/47/79/391234779.db2.gz UJMZIJJFJRMYOP-NSHDSACASA-N -1 3 292.335 1.145 20 10 CDCDHM Cc1noc(C)c1CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179486486 391207721 /nfs/dbraw/zinc/20/77/21/391207721.db2.gz RLXGVACACZPFOK-UHFFFAOYSA-N -1 3 290.319 1.984 20 10 CDCDHM C[C@@H]1CN(C(=O)c2c([O-])c(O)ccc2F)C[C@H](C)N1C ZINC000295511923 391678181 /nfs/dbraw/zinc/67/81/81/391678181.db2.gz FOURYGVUQWQTRQ-DTORHVGOSA-N -1 3 282.315 1.402 20 10 CDCDHM O=C1OC[C@H]2CN(Cc3cc(F)ccc3[O-])CCN12 ZINC000361053743 391678773 /nfs/dbraw/zinc/67/87/73/391678773.db2.gz SMWLWRZDWGQCKK-LLVKDONJSA-N -1 3 266.272 1.168 20 10 CDCDHM CN(CCS(C)(=O)=O)Cc1c([O-])cccc1Cl ZINC000156086543 261112995 /nfs/dbraw/zinc/11/29/95/261112995.db2.gz DUGNTAQNAAWKRZ-UHFFFAOYSA-N -1 3 277.773 1.522 20 10 CDCDHM CCCN(CC(=O)OC)C(=O)c1cccc(O)c1[O-] ZINC000126341796 264203967 /nfs/dbraw/zinc/20/39/67/264203967.db2.gz QLAJZFTZJJUNMZ-UHFFFAOYSA-N -1 3 267.281 1.123 20 10 CDCDHM CC[C@H]([NH2+]C[C@H](C)OC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469979 1173422709 /nfs/dbraw/zinc/42/27/09/1173422709.db2.gz NTCMCNZCYDGLEA-CABZTGNLSA-N -1 3 291.355 1.648 20 10 CDCDHM CCCC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000280400232 328235256 /nfs/dbraw/zinc/23/52/56/328235256.db2.gz GYZIYICNOLZWEF-SNVBAGLBSA-N -1 3 281.308 1.559 20 10 CDCDHM COc1c([O-])c(CN(C)C[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000289768793 521869422 /nfs/dbraw/zinc/86/94/22/521869422.db2.gz RFSWTEPUAFYVIP-VIFPVBQESA-N -1 3 284.312 1.776 20 10 CDCDHM COc1c([O-])c(CN2C[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280560597 521876573 /nfs/dbraw/zinc/87/65/73/521876573.db2.gz UXXWICAPJDXQAT-LLVKDONJSA-N -1 3 296.323 1.512 20 10 CDCDHM C[C@H]1CN(Cc2ccccc2[O-])C[C@H](C)S1(=O)=O ZINC000290762066 524634074 /nfs/dbraw/zinc/63/40/74/524634074.db2.gz BPNHSIVLDONTCE-QWRGUYRKSA-N -1 3 269.366 1.400 20 10 CDCDHM O=C(N[C@@H]1CCCc2c[nH]nc21)c1cccc(O)c1[O-] ZINC000279687654 526915576 /nfs/dbraw/zinc/91/55/76/526915576.db2.gz BHMXAIPZJMSAJZ-SNVBAGLBSA-N -1 3 273.292 1.628 20 10 CDCDHM O=S1(=O)CC[C@H](NCc2c([O-])cccc2Cl)C1 ZINC000083551550 527313515 /nfs/dbraw/zinc/31/35/15/527313515.db2.gz KJAUOFBBJUSQTL-QMMMGPOBSA-N -1 3 275.757 1.322 20 10 CDCDHM O=C(NCc1ccccc1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000729530107 574815181 /nfs/dbraw/zinc/81/51/81/574815181.db2.gz XHSUADBXCLQKTM-UHFFFAOYSA-N -1 3 296.282 1.206 20 10 CDCDHM O=C([O-])C[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000738607233 574905210 /nfs/dbraw/zinc/90/52/10/574905210.db2.gz COTMKRCYONRFEZ-UHFFFAOYSA-N -1 3 265.265 1.170 20 10 CDCDHM O=C([O-])C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000738607233 574905213 /nfs/dbraw/zinc/90/52/13/574905213.db2.gz COTMKRCYONRFEZ-UHFFFAOYSA-N -1 3 265.265 1.170 20 10 CDCDHM [O-]c1ccc(F)cc1CNCc1nnnn1CC1CC1 ZINC000770668185 575483241 /nfs/dbraw/zinc/48/32/41/575483241.db2.gz KWCALLLIZASBPG-UHFFFAOYSA-N -1 3 277.303 1.218 20 10 CDCDHM CC(C)(CCCO)CNC(=O)c1cc([O-])cs1 ZINC000772927018 575768508 /nfs/dbraw/zinc/76/85/08/575768508.db2.gz SHDPVDALRWTWST-UHFFFAOYSA-N -1 3 257.355 1.982 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756354758 575793589 /nfs/dbraw/zinc/79/35/89/575793589.db2.gz COUXQMLLJNZGBC-YUMQZZPRSA-N -1 3 272.295 1.846 20 10 CDCDHM O=C(c1cc([O-])cs1)N(CCCCO)C1CC1 ZINC000765175193 575994290 /nfs/dbraw/zinc/99/42/90/575994290.db2.gz VQSSMTCOTDTJSC-UHFFFAOYSA-N -1 3 255.339 1.831 20 10 CDCDHM CCNC(=O)N1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000768213788 576265010 /nfs/dbraw/zinc/26/50/10/576265010.db2.gz SSRRMXYOXFOKRN-UHFFFAOYSA-N -1 3 293.367 1.248 20 10 CDCDHM CCC[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768465658 576287099 /nfs/dbraw/zinc/28/70/99/576287099.db2.gz OPNIUDIDXUCFMJ-SWLSCSKDSA-N -1 3 293.363 1.819 20 10 CDCDHM Cc1nnc([C@H](C)NC(=O)c2cc([O-])cs2)o1 ZINC000769213159 576337809 /nfs/dbraw/zinc/33/78/09/576337809.db2.gz UPHKNQMILFFTNJ-YFKPBYRVSA-N -1 3 253.283 1.636 20 10 CDCDHM COc1cccc([O-])c1CN1CCN2C(=O)OC[C@@H]2C1 ZINC000769483854 576357911 /nfs/dbraw/zinc/35/79/11/576357911.db2.gz PAPXRWOCDWUECQ-JTQLQIEISA-N -1 3 278.308 1.037 20 10 CDCDHM C[C@@](O)(CNC(=O)c1cc([O-])cs1)C(F)(F)F ZINC000761061492 576539848 /nfs/dbraw/zinc/53/98/48/576539848.db2.gz CZLUYWQUEPSZNI-MRVPVSSYSA-N -1 3 269.244 1.497 20 10 CDCDHM CS(=O)(=O)CCN(C(=O)c1cc([O-])cs1)C1CC1 ZINC000753849059 576862978 /nfs/dbraw/zinc/86/29/78/576862978.db2.gz OEPUYZKKEBCMDH-UHFFFAOYSA-N -1 3 289.378 1.103 20 10 CDCDHM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc([O-])cs1 ZINC000754046075 576875350 /nfs/dbraw/zinc/87/53/50/576875350.db2.gz OLJPBQYPBDCGGS-WPRPVWTQSA-N -1 3 271.338 1.378 20 10 CDCDHM CC(C)(CNC(=O)c1cc([O-])cs1)S(C)(=O)=O ZINC000748860635 576929706 /nfs/dbraw/zinc/92/97/06/576929706.db2.gz UFFJHFRQVFJEJP-UHFFFAOYSA-N -1 3 277.367 1.007 20 10 CDCDHM Cc1ccc(C(=O)NCC(=O)OCC2CC2)c([O-])c1O ZINC000751538934 577049374 /nfs/dbraw/zinc/04/93/74/577049374.db2.gz WLDKPKIBDZOAFO-UHFFFAOYSA-N -1 3 279.292 1.089 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCN2CCOC[C@@H]2C1 ZINC000757931309 577061573 /nfs/dbraw/zinc/06/15/73/577061573.db2.gz YTSOBEWULATZAP-NSHDSACASA-N -1 3 282.771 1.562 20 10 CDCDHM CCN1CCN(Cc2c([O-])cccc2OC)CC1=O ZINC000758016567 577067580 /nfs/dbraw/zinc/06/75/80/577067580.db2.gz XYPJPXNXOILZQN-UHFFFAOYSA-N -1 3 264.325 1.065 20 10 CDCDHM Cc1ccc(C(=O)N[C@@]2(C)CCO[C@H]2C)c([O-])c1O ZINC000753069098 577143002 /nfs/dbraw/zinc/14/30/02/577143002.db2.gz XOOZZEAHHQGWDG-XPTSAGLGSA-N -1 3 265.309 1.704 20 10 CDCDHM C[C@H]1[C@H](CO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000840558814 617976921 /nfs/dbraw/zinc/97/69/21/617976921.db2.gz KOAVYZIUCNSHQI-UWVGGRQHSA-N -1 3 265.309 1.331 20 10 CDCDHM Cc1cc([O-])c(CN[C@H]2CCOC2=O)cc1Cl ZINC000895808420 619855573 /nfs/dbraw/zinc/85/55/73/619855573.db2.gz MGURPHHTEVQEHJ-JTQLQIEISA-N -1 3 255.701 1.759 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1O ZINC000897680249 621067301 /nfs/dbraw/zinc/06/73/01/621067301.db2.gz HMHWUNUXDNFXHE-CPCISQLKSA-N -1 3 259.708 1.997 20 10 CDCDHM C[C@@H]([NH2+]CC1(O)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978156 1173219322 /nfs/dbraw/zinc/21/93/22/1173219322.db2.gz LNLUQVXIUNGNQP-SECBINFHSA-N -1 3 289.339 1.138 20 10 CDCDHM C[C@@H](Nc1cc(-c2nnn[n-]2)cnn1)c1ccccc1O ZINC001591730128 1173691039 /nfs/dbraw/zinc/69/10/39/1173691039.db2.gz VGCSDYMNBRHCDA-MRVPVSSYSA-N -1 3 283.295 1.535 20 10 CDCDHM C[C@@H](Nc1cc(-c2nn[n-]n2)cnn1)c1ccccc1O ZINC001591730128 1173691044 /nfs/dbraw/zinc/69/10/44/1173691044.db2.gz VGCSDYMNBRHCDA-MRVPVSSYSA-N -1 3 283.295 1.535 20 10 CDCDHM Cc1ccnc(NCc2c(O)cccc2O)c1-c1nnn[n-]1 ZINC001592274709 1173842929 /nfs/dbraw/zinc/84/29/29/1173842929.db2.gz CSLVDZTZYIPQPU-UHFFFAOYSA-N -1 3 298.306 1.593 20 10 CDCDHM Cc1ccnc(NCc2c(O)cccc2O)c1-c1nn[n-]n1 ZINC001592274709 1173842934 /nfs/dbraw/zinc/84/29/34/1173842934.db2.gz CSLVDZTZYIPQPU-UHFFFAOYSA-N -1 3 298.306 1.593 20 10 CDCDHM CC[C@H]([NH2+]CCF)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054956 1175735859 /nfs/dbraw/zinc/73/58/59/1175735859.db2.gz JWGXJAZJVPLGGA-JTQLQIEISA-N -1 3 265.292 1.583 20 10 CDCDHM Cc1cc(O)c(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1C ZINC001607698603 1164272781 /nfs/dbraw/zinc/27/27/81/1164272781.db2.gz AZLGNXGDMKFTCA-NWDGAFQWSA-N -1 3 265.309 1.029 20 10 CDCDHM Cc1cc(C(N)=O)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000790535325 796575754 /nfs/dbraw/zinc/57/57/54/796575754.db2.gz HBJSFZVSIJLGEQ-UHFFFAOYSA-N -1 3 286.287 1.757 20 10 CDCDHM CS(=O)(=O)C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000388856541 796843607 /nfs/dbraw/zinc/84/36/07/796843607.db2.gz ZTJIBTZSIWRCMH-UHFFFAOYSA-N -1 3 287.356 1.540 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2OCC[C@@H]2C1 ZINC000724831739 797066232 /nfs/dbraw/zinc/06/62/32/797066232.db2.gz QZGULNGASFHPSU-SKDRFNHKSA-N -1 3 263.293 1.349 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CC[C@H](O)C(F)(F)C1 ZINC000826958464 797069597 /nfs/dbraw/zinc/06/95/97/797069597.db2.gz QIFHPPHXYDPTFG-NSHDSACASA-N -1 3 261.243 1.733 20 10 CDCDHM COC(=O)CC1CN(Cc2c([O-])cccc2F)C1 ZINC001137837608 936419150 /nfs/dbraw/zinc/41/91/50/936419150.db2.gz NLMMKYGKNTXXTL-UHFFFAOYSA-N -1 3 253.273 1.526 20 10 CDCDHM CC(=O)N1CCC2(CN(Cc3cccc(F)c3[O-])C2)C1 ZINC001138126579 936474597 /nfs/dbraw/zinc/47/45/97/936474597.db2.gz DNAKISBERGNDCS-UHFFFAOYSA-N -1 3 278.327 1.586 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2CO)c1[O-] ZINC000388399952 936642851 /nfs/dbraw/zinc/64/28/51/936642851.db2.gz VCNKBJLXRLVMEH-LBPRGKRZSA-N -1 3 299.367 1.644 20 10 CDCDHM O=C1CN(Cc2cc(F)ccc2[O-])C[C@H]2CCCN12 ZINC001140058463 936674863 /nfs/dbraw/zinc/67/48/63/936674863.db2.gz AZLYQNPJHNPVJC-GFCCVEGCSA-N -1 3 264.300 1.338 20 10 CDCDHM O=C(NC[C@H]1CCC[C@H](O)C1)c1cccc(O)c1[O-] ZINC000187124214 923670296 /nfs/dbraw/zinc/67/02/96/923670296.db2.gz YANBWGITWTXVMJ-UWVGGRQHSA-N -1 3 265.309 1.379 20 10 CDCDHM CC[C@]1(CO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000784727163 937307987 /nfs/dbraw/zinc/30/79/87/937307987.db2.gz VOHBSEQYUXMRCM-CQSZACIVSA-N -1 3 265.309 1.475 20 10 CDCDHM O=C(N[C@H]1CCOC12CCOCC2)c1cccc(O)c1[O-] ZINC000890445611 931434289 /nfs/dbraw/zinc/43/42/89/931434289.db2.gz LWJMZTFYLJGPAB-LBPRGKRZSA-N -1 3 293.319 1.166 20 10 CDCDHM O=C(Nc1n[nH]c2c1CCCC2)c1cccc(O)c1[O-] ZINC001148211896 932666938 /nfs/dbraw/zinc/66/69/38/932666938.db2.gz BJDYUDJQUJZOSC-UHFFFAOYSA-N -1 3 273.292 1.952 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@](O)(CF)CC1 ZINC001148212086 932668711 /nfs/dbraw/zinc/66/87/11/932668711.db2.gz LHCHZVMLMKKRFP-CQSZACIVSA-N -1 3 283.299 1.425 20 10 CDCDHM Cc1ncnc(C)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148579938 932748934 /nfs/dbraw/zinc/74/89/34/932748934.db2.gz CSQDHIXMGDRHGK-UHFFFAOYSA-N -1 3 275.264 1.463 20 10 CDCDHM O=C(Nc1cccn2nccc12)c1cc(O)c([O-])c(O)c1 ZINC001148582870 932751080 /nfs/dbraw/zinc/75/10/80/932751080.db2.gz OMZAHESHTKODCM-UHFFFAOYSA-N -1 3 285.259 1.703 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](CO)O1 ZINC000249509480 934938545 /nfs/dbraw/zinc/93/85/45/934938545.db2.gz ZKWDGRYFFMKPII-SKDRFNHKSA-N -1 3 255.289 1.113 20 10 CDCDHM NC(=O)c1cc(Nc2cccc(Cl)c2[O-])ccn1 ZINC001210220425 940672238 /nfs/dbraw/zinc/67/22/38/940672238.db2.gz VJPZDTPNXYPWHM-UHFFFAOYSA-N -1 3 263.684 1.705 20 10 CDCDHM COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452790 942895671 /nfs/dbraw/zinc/89/56/71/942895671.db2.gz FHIQEYANQCPLSQ-OAHLLOKOSA-N -1 3 293.319 1.475 20 10 CDCDHM COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452790 942895679 /nfs/dbraw/zinc/89/56/79/942895679.db2.gz FHIQEYANQCPLSQ-OAHLLOKOSA-N -1 3 293.319 1.475 20 10 CDCDHM COC[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560306 942925826 /nfs/dbraw/zinc/92/58/26/942925826.db2.gz GDRVZRRQTFEEKU-SNVBAGLBSA-N -1 3 265.309 1.559 20 10 CDCDHM COC[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560306 942925830 /nfs/dbraw/zinc/92/58/30/942925830.db2.gz GDRVZRRQTFEEKU-SNVBAGLBSA-N -1 3 265.309 1.559 20 10 CDCDHM CC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)C[C@@H]1C ZINC001232263389 943194421 /nfs/dbraw/zinc/19/44/21/943194421.db2.gz OYRDFVFDQRRESA-VIFPVBQESA-N -1 3 298.770 1.804 20 10 CDCDHM C[C@]1(CO)CN(Cc2ccc(F)c(F)c2[O-])CC[C@H]1O ZINC001233076514 943485153 /nfs/dbraw/zinc/48/51/53/943485153.db2.gz PYWDUCLXHNKFBH-BXUZGUMPSA-N -1 3 287.306 1.236 20 10 CDCDHM CNC(=O)CN(C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415870 943581252 /nfs/dbraw/zinc/58/12/52/943581252.db2.gz LQEYWOGBFRDURL-UHFFFAOYSA-N -1 3 276.258 1.589 20 10 CDCDHM [O-]c1cc(Cl)ccc1CNCc1nnnn1CC1CC1 ZINC001308710021 956568129 /nfs/dbraw/zinc/56/81/29/956568129.db2.gz RHROPVIARGVVPV-UHFFFAOYSA-N -1 3 293.758 1.732 20 10 CDCDHM CC[C@H](O)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001597350548 987488697 /nfs/dbraw/zinc/48/86/97/987488697.db2.gz GORAPDKYEGZNIS-SCZZXKLOSA-N -1 3 253.298 1.512 20 10 CDCDHM C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593352467 994966756 /nfs/dbraw/zinc/96/67/56/994966756.db2.gz AKJPNNCOZRKYEY-VHSXEESVSA-N -1 3 266.341 1.691 20 10 CDCDHM CCNC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096970995 185144368 /nfs/dbraw/zinc/14/43/68/185144368.db2.gz XICIFNJPGZAENO-AWEZNQCLSA-N -1 3 292.379 1.509 20 10 CDCDHM COCCN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179896223 357230025 /nfs/dbraw/zinc/23/00/25/357230025.db2.gz BDTLEELCUNMDTD-UHFFFAOYSA-N -1 3 268.332 1.295 20 10 CDCDHM CCCN(CC(=O)NC)Cc1cc(F)ccc1[O-] ZINC000179970428 357233584 /nfs/dbraw/zinc/23/35/84/357233584.db2.gz NNVHTTJMSASAFP-UHFFFAOYSA-N -1 3 254.305 1.489 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCN(c2cccnn2)CC1 ZINC000180033770 357238339 /nfs/dbraw/zinc/23/83/39/357238339.db2.gz JOZCEMCUIQCHPJ-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000187037677 357720918 /nfs/dbraw/zinc/72/09/18/357720918.db2.gz XNUNBNXFXJIHPK-RKDXNWHRSA-N -1 3 280.324 1.131 20 10 CDCDHM CCOC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072952753 357859538 /nfs/dbraw/zinc/85/95/38/357859538.db2.gz JBNBNAVZVBNOIY-AWEZNQCLSA-N -1 3 293.363 1.936 20 10 CDCDHM CC(C)C[C@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000188920228 357952278 /nfs/dbraw/zinc/95/22/78/357952278.db2.gz PMJUVKLSFCYRNO-ZDUSSCGKSA-N -1 3 262.353 1.739 20 10 CDCDHM C[C@H](NCC(=O)NCC1CC1)c1ccc(F)c(F)c1[O-] ZINC000187908909 299275730 /nfs/dbraw/zinc/27/57/30/299275730.db2.gz SLPFXDZAFDBTRH-QMMMGPOBSA-N -1 3 284.306 1.847 20 10 CDCDHM C[C@@H](CCCO)CNC(=O)c1cccc(O)c1[O-] ZINC000295309971 364018048 /nfs/dbraw/zinc/01/80/48/364018048.db2.gz CFQKOGBQFFVEPC-VIFPVBQESA-N -1 3 253.298 1.236 20 10 CDCDHM C[C@H](NCc1cc2c(cc1[O-])OCO2)C(=O)OC(C)(C)C ZINC000269364357 364184779 /nfs/dbraw/zinc/18/47/79/364184779.db2.gz QBCSMSLUBLNJAF-VIFPVBQESA-N -1 3 295.335 1.941 20 10 CDCDHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cccc(O)c1[O-] ZINC000376155854 364755839 /nfs/dbraw/zinc/75/58/39/364755839.db2.gz GBWQUELAQCMSQE-YUNJCABUSA-N -1 3 289.331 1.593 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CCO[C@@H](C)C2)c([O-])c1O ZINC000272982290 365462237 /nfs/dbraw/zinc/46/22/37/365462237.db2.gz MBZABLULVOOWGP-WDEREUQCSA-N -1 3 279.336 1.951 20 10 CDCDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCNC1=O ZINC000282224188 367783564 /nfs/dbraw/zinc/78/35/64/367783564.db2.gz FDZLTLCAIYJTLU-ZDUSSCGKSA-N -1 3 294.326 1.444 20 10 CDCDHM C[C@@H](NCc1cnnn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287167643 369109567 /nfs/dbraw/zinc/10/95/67/369109567.db2.gz BYWUIEYTZZIRON-MRVPVSSYSA-N -1 3 277.284 1.280 20 10 CDCDHM CC(=O)NC1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000297486046 371995562 /nfs/dbraw/zinc/99/55/62/371995562.db2.gz SQZQYDYHSXXDGC-UHFFFAOYSA-N -1 3 299.168 1.475 20 10 CDCDHM COCCN(Cc1c([O-])cccc1Cl)[C@H](C)C(N)=O ZINC000119929692 390860587 /nfs/dbraw/zinc/86/05/87/390860587.db2.gz FDSARTYSOWZZPA-SECBINFHSA-N -1 3 286.759 1.368 20 10 CDCDHM O=C(NC[C@H]1CSCCS1)c1cccc(O)c1[O-] ZINC000126552541 390921089 /nfs/dbraw/zinc/92/10/89/390921089.db2.gz UAJVHLQAPNFGJG-QMMMGPOBSA-N -1 3 285.390 1.676 20 10 CDCDHM Cc1ccc(C(=O)N(C)CC2(O)CCCC2)c([O-])c1O ZINC000182893530 397969452 /nfs/dbraw/zinc/96/94/52/397969452.db2.gz BCOPEUWXOOZJHS-UHFFFAOYSA-N -1 3 279.336 1.783 20 10 CDCDHM CCOc1cccc(C[NH2+][C@H](C(=O)[O-])C(C)C)c1[O-] ZINC000043429698 175042680 /nfs/dbraw/zinc/04/26/80/175042680.db2.gz IKVOAOWPCXGKCF-LBPRGKRZSA-N -1 3 267.325 1.990 20 10 CDCDHM CC[C@H](C)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126387422 260349643 /nfs/dbraw/zinc/34/96/43/260349643.db2.gz OJXIPGWCKDZEHN-NSHDSACASA-N -1 3 278.352 1.654 20 10 CDCDHM Cc1ccc(C(=O)NC[C@](C)(O)c2ccco2)c([O-])c1O ZINC000179529215 261793604 /nfs/dbraw/zinc/79/36/04/261793604.db2.gz CNVJHTDHJFBOFR-HNNXBMFYSA-N -1 3 291.303 1.637 20 10 CDCDHM Cc1nccn1CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272860788 328201210 /nfs/dbraw/zinc/20/12/10/328201210.db2.gz USPRJXHNADWHEW-UHFFFAOYSA-N -1 3 275.308 1.341 20 10 CDCDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])C(C)C ZINC000279307983 327547998 /nfs/dbraw/zinc/54/79/98/327547998.db2.gz OAIVHORIEYHQSR-LLVKDONJSA-N -1 3 253.298 1.499 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2OCCC[C@H]2C1 ZINC000187197429 329354376 /nfs/dbraw/zinc/35/43/76/329354376.db2.gz RMWAHIGHTICOEZ-GXFFZTMASA-N -1 3 277.320 1.739 20 10 CDCDHM CCCCC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000790871669 1162174787 /nfs/dbraw/zinc/17/47/87/1162174787.db2.gz AFTBTSLCWPPLMH-NSHDSACASA-N -1 3 295.335 1.950 20 10 CDCDHM CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000290045361 524010489 /nfs/dbraw/zinc/01/04/89/524010489.db2.gz DTFGUXGWQDZLED-QWRKXWFKSA-N -1 3 255.289 1.596 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000732289060 575087083 /nfs/dbraw/zinc/08/70/83/575087083.db2.gz KCHSRGOZQXIVOT-VXGBXAGGSA-N -1 3 296.392 1.125 20 10 CDCDHM CCOc1ccc(CN2CCC[C@@H]2C(=O)OC)c([O-])c1 ZINC000768229858 575124593 /nfs/dbraw/zinc/12/45/93/575124593.db2.gz OMLCYPXCKJBYOK-CYBMUJFWSA-N -1 3 279.336 1.928 20 10 CDCDHM O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1cc([O-])cs1 ZINC000763198998 576720688 /nfs/dbraw/zinc/72/06/88/576720688.db2.gz SYFVFKJJHGXLHD-MRVPVSSYSA-N -1 3 268.290 1.706 20 10 CDCDHM CCCN(CC(=O)NCCC(=O)[O-])Cc1ccccc1O ZINC000737008097 575792406 /nfs/dbraw/zinc/79/24/06/575792406.db2.gz ULIQTAZAHWRXHT-UHFFFAOYSA-N -1 3 294.351 1.195 20 10 CDCDHM O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000739639362 576270987 /nfs/dbraw/zinc/27/09/87/576270987.db2.gz LINRDWIRVNDPLK-NSHDSACASA-N -1 3 293.319 1.950 20 10 CDCDHM O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000739639362 576270989 /nfs/dbraw/zinc/27/09/89/576270989.db2.gz LINRDWIRVNDPLK-NSHDSACASA-N -1 3 293.319 1.950 20 10 CDCDHM CC[C@@H]1COCCN1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444994 576283418 /nfs/dbraw/zinc/28/34/18/576283418.db2.gz DWWRVTICNCFLJY-RISCZKNCSA-N -1 3 279.336 1.429 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@@H](C)CN1C ZINC000768845957 576312873 /nfs/dbraw/zinc/31/28/73/576312873.db2.gz LEUBKIZYJSGQEV-BDAKNGLRSA-N -1 3 254.355 1.618 20 10 CDCDHM CCOC(=O)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000761603502 576585070 /nfs/dbraw/zinc/58/50/70/576585070.db2.gz VDHQORXDMNYOGY-SSDOTTSWSA-N -1 3 257.311 1.525 20 10 CDCDHM C[C@@]1(CO)C[C@H](O)CN1Cc1c([O-])ccc(Cl)c1F ZINC000895328915 619566943 /nfs/dbraw/zinc/56/69/43/619566943.db2.gz HLPLKCCSVYVYDK-SDBXPKJASA-N -1 3 289.734 1.502 20 10 CDCDHM O=C(NCC(F)(F)Br)c1cccc(O)c1[O-] ZINC000805248354 1162636980 /nfs/dbraw/zinc/63/69/80/1162636980.db2.gz FMVVHSUMYRWLCY-UHFFFAOYSA-N -1 3 296.067 1.815 20 10 CDCDHM Cc1cccc(CN2CCOC[C@@H]2CC(=O)[O-])c1O ZINC001607850517 1164309574 /nfs/dbraw/zinc/30/95/74/1164309574.db2.gz JILKNLJPFZWNDD-LBPRGKRZSA-N -1 3 265.309 1.376 20 10 CDCDHM C[C@H]([NH2+]CCNC(=O)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778302 1165077668 /nfs/dbraw/zinc/07/76/68/1165077668.db2.gz GWMRDKOOJHWNIM-VIFPVBQESA-N -1 3 292.335 1.267 20 10 CDCDHM CC[C@@H]([NH2+]CC[C@H](C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470974 1173422399 /nfs/dbraw/zinc/42/23/99/1173422399.db2.gz TVCGWORKKRCTFI-JOYOIKCWSA-N -1 3 291.355 1.384 20 10 CDCDHM C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603695268 1175602079 /nfs/dbraw/zinc/60/20/79/1175602079.db2.gz JPFGAOHEZUFAJK-LPEHRKFASA-N -1 3 291.355 1.382 20 10 CDCDHM CC(C)c1ccc(O)c(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])c1 ZINC001604002780 1175713055 /nfs/dbraw/zinc/71/30/55/1175713055.db2.gz NJZIEYYYIOPNKK-CABCVRRESA-N -1 3 293.363 1.926 20 10 CDCDHM CC[C@@H](O)CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604067149 1175746340 /nfs/dbraw/zinc/74/63/40/1175746340.db2.gz VCYMWRBYXJIHNE-NXEZZACHSA-N -1 3 291.355 1.384 20 10 CDCDHM Clc1cnc(Sc2nnccc2-c2nnn[n-]2)s1 ZINC001606198802 1163804199 /nfs/dbraw/zinc/80/41/99/1163804199.db2.gz SAAUYYUCHAAHQT-UHFFFAOYSA-N -1 3 297.756 1.918 20 10 CDCDHM C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780692 1165078774 /nfs/dbraw/zinc/07/87/74/1165078774.db2.gz VFWLVRJPWAWINH-AMJWSMQMSA-N -1 3 295.335 1.281 20 10 CDCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000783733701 805085617 /nfs/dbraw/zinc/08/56/17/805085617.db2.gz ITSIHYQXHTVEII-RNCFNFMXSA-N -1 3 271.719 1.999 20 10 CDCDHM [O-]c1c(Br)cccc1CN1CC[C@H](O)C1 ZINC000128163227 811668363 /nfs/dbraw/zinc/66/83/63/811668363.db2.gz DLCGFXLJUQUXDG-VIFPVBQESA-N -1 3 272.142 1.721 20 10 CDCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC(=O)N1 ZINC000824910374 811884039 /nfs/dbraw/zinc/88/40/39/811884039.db2.gz VAKJJSAOJZMBCW-QMMMGPOBSA-N -1 3 254.717 1.366 20 10 CDCDHM COC(=O)N1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000790627407 812505289 /nfs/dbraw/zinc/50/52/89/812505289.db2.gz OQSWFFGOTBNNRZ-VIFPVBQESA-N -1 3 294.307 1.058 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000871200139 813051608 /nfs/dbraw/zinc/05/16/08/813051608.db2.gz NICVLAZLZLKFLX-RTXFEEFZSA-N -1 3 291.347 1.863 20 10 CDCDHM COC(=O)[C@@]1(C)CN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC000869834922 813257295 /nfs/dbraw/zinc/25/72/95/813257295.db2.gz BCEASIFEVWRWRJ-VFZGTOFNSA-N -1 3 293.319 1.369 20 10 CDCDHM C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cccc(O)c1[O-] ZINC000185842979 813728256 /nfs/dbraw/zinc/72/82/56/813728256.db2.gz IPIOCABZTKLSGO-BXKDBHETSA-N -1 3 291.303 1.933 20 10 CDCDHM COC1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000839129242 814389215 /nfs/dbraw/zinc/38/92/15/814389215.db2.gz YGEYNQSPSCQNOT-UHFFFAOYSA-N -1 3 272.142 1.985 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nonc2C)c1 ZINC000872135971 816787640 /nfs/dbraw/zinc/78/76/40/816787640.db2.gz JTOXZEZYKNJNGQ-MRVPVSSYSA-N -1 3 291.307 1.721 20 10 CDCDHM CON(C)C(=O)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858588007 817076949 /nfs/dbraw/zinc/07/69/49/817076949.db2.gz VHCOFLABPGAEOU-DTWKUNHWSA-N -1 3 297.311 1.359 20 10 CDCDHM CN1CCc2cc(C=Cc3nccc(=O)[n-]3)ccc21 ZINC000130966756 817706216 /nfs/dbraw/zinc/70/62/16/817706216.db2.gz WUJXZZICCUEVMN-HWKANZROSA-N -1 3 253.305 1.933 20 10 CDCDHM O=C(NCC1SCCS1)c1cccc(O)c1[O-] ZINC000703619764 817873803 /nfs/dbraw/zinc/87/38/03/817873803.db2.gz UUEBWSOTFDBGEE-UHFFFAOYSA-N -1 3 271.363 1.634 20 10 CDCDHM CCOC(=O)[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000837181908 817972907 /nfs/dbraw/zinc/97/29/07/817972907.db2.gz MMMUUYNSHDGVRS-QMMMGPOBSA-N -1 3 267.281 1.121 20 10 CDCDHM CC1(C)C[C@@H](NCC(=O)c2ccc([O-])c(O)c2)CO1 ZINC001172277650 911493642 /nfs/dbraw/zinc/49/36/42/911493642.db2.gz VVLYEGGNGHCJDA-SNVBAGLBSA-N -1 3 265.309 1.438 20 10 CDCDHM C=CS(=O)(=O)[N-]c1ccc(O)cc1C(=O)OC ZINC001198608595 925475291 /nfs/dbraw/zinc/47/52/91/925475291.db2.gz ALEFLGYYBKDPEP-UHFFFAOYSA-N -1 3 257.267 1.064 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC001142508562 937024746 /nfs/dbraw/zinc/02/47/46/937024746.db2.gz CVMVUXZWPOYNCK-GFCCVEGCSA-N -1 3 298.333 1.577 20 10 CDCDHM Nc1cccc2c1N(C(=O)c1cccc(O)c1[O-])CC2 ZINC000161590409 926257929 /nfs/dbraw/zinc/25/79/29/926257929.db2.gz CNBDBHBQMAMRFP-UHFFFAOYSA-N -1 3 270.288 1.883 20 10 CDCDHM CN(CC(N)=O)Cc1cccc(Br)c1[O-] ZINC000132598284 930251529 /nfs/dbraw/zinc/25/15/29/930251529.db2.gz TWWNWCYVQBEVHH-UHFFFAOYSA-N -1 3 273.130 1.072 20 10 CDCDHM CN1CCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001275275294 931720115 /nfs/dbraw/zinc/72/01/15/931720115.db2.gz FQJBAILSWXRART-UHFFFAOYSA-N -1 3 252.745 1.936 20 10 CDCDHM Cc1noc(C2(NC(=O)c3cccc(O)c3[O-])CC2)n1 ZINC001148224680 932672252 /nfs/dbraw/zinc/67/22/52/932672252.db2.gz SDIHBAVJJKCZPD-UHFFFAOYSA-N -1 3 275.264 1.208 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC(F)(C2CC2)C1 ZINC001148582186 932750738 /nfs/dbraw/zinc/75/07/38/932750738.db2.gz ZOHHRWVEADBVNZ-UHFFFAOYSA-N -1 3 267.256 1.378 20 10 CDCDHM C[C@]1(F)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@H]1F ZINC001148583242 932751069 /nfs/dbraw/zinc/75/10/69/932751069.db2.gz VCPLBSHYELJKCK-MFKMUULPSA-N -1 3 287.262 1.716 20 10 CDCDHM C[C@@]1(F)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@H]1F ZINC001148583243 932751451 /nfs/dbraw/zinc/75/14/51/932751451.db2.gz VCPLBSHYELJKCK-ZWNOBZJWSA-N -1 3 287.262 1.716 20 10 CDCDHM COC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588145 932753596 /nfs/dbraw/zinc/75/35/96/932753596.db2.gz PPJDGNPOOLETSE-ZACCUICWSA-N -1 3 293.319 1.585 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2cnccn2)C1 ZINC001156803631 938419409 /nfs/dbraw/zinc/41/94/09/938419409.db2.gz ZKBVAXWJFZFDOK-JTQLQIEISA-N -1 3 285.303 1.518 20 10 CDCDHM COC(C)(C)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000404321103 940961048 /nfs/dbraw/zinc/96/10/48/940961048.db2.gz DBGRKYDZQSGJDR-UHFFFAOYSA-N -1 3 253.298 1.595 20 10 CDCDHM C[C@H]1COCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445845 942892552 /nfs/dbraw/zinc/89/25/52/942892552.db2.gz BLKWHKOCCSQGOS-SNVBAGLBSA-N -1 3 265.309 1.559 20 10 CDCDHM C[C@H]1COCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445845 942892554 /nfs/dbraw/zinc/89/25/54/942892554.db2.gz BLKWHKOCCSQGOS-SNVBAGLBSA-N -1 3 265.309 1.559 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001231449652 942893641 /nfs/dbraw/zinc/89/36/41/942893641.db2.gz KMRPCTYAKQHBRZ-DGCLKSJQSA-N -1 3 263.293 1.454 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001231449652 942893644 /nfs/dbraw/zinc/89/36/44/942893644.db2.gz KMRPCTYAKQHBRZ-DGCLKSJQSA-N -1 3 263.293 1.454 20 10 CDCDHM COc1cc([O-])c(CN2CCN(C#N)CC2)cc1Cl ZINC001232270759 943197446 /nfs/dbraw/zinc/19/74/46/943197446.db2.gz HLLQFVTWRPCWPT-UHFFFAOYSA-N -1 3 281.743 1.653 20 10 CDCDHM CN(C)C1(C)CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233078384 943486578 /nfs/dbraw/zinc/48/65/78/943486578.db2.gz UJPGJUHPKFEWEU-UHFFFAOYSA-N -1 3 256.296 1.806 20 10 CDCDHM [O-]c1c(O)c(O)ccc1-c1nnc(C2CCOCC2)o1 ZINC001255644377 948049453 /nfs/dbraw/zinc/04/94/53/948049453.db2.gz NSEBEKZLAQPGSM-UHFFFAOYSA-N -1 3 278.264 1.747 20 10 CDCDHM CNC(=O)N[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001308673188 956558603 /nfs/dbraw/zinc/55/86/03/956558603.db2.gz VVYYREFBBQOGNC-SECBINFHSA-N -1 3 285.294 1.174 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](n2cncn2)C1 ZINC001338264761 961722373 /nfs/dbraw/zinc/72/23/73/961722373.db2.gz QLZNRQLALZSDJZ-NSHDSACASA-N -1 3 280.278 1.709 20 10 CDCDHM CCOC(=O)C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001339534636 962407854 /nfs/dbraw/zinc/40/78/54/962407854.db2.gz BZRACYQJHDXYKI-SNVBAGLBSA-N -1 3 293.319 1.656 20 10 CDCDHM O=C(Nc1ccc2c(c1)OCO2)c1cc(O)c([O-])c(O)c1 ZINC000000019883 970041325 /nfs/dbraw/zinc/04/13/25/970041325.db2.gz JIDOORXNHQXHLL-UHFFFAOYSA-N -1 3 289.243 1.784 20 10 CDCDHM C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246817 994458896 /nfs/dbraw/zinc/45/88/96/994458896.db2.gz CRXAFZKHPHUGRL-PSLIRLAXSA-N -1 3 292.335 1.410 20 10 CDCDHM COC[C@H](O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599179949 996924771 /nfs/dbraw/zinc/92/47/71/996924771.db2.gz YSKAHRDVGYBKIU-MWLCHTKSSA-N -1 3 283.324 1.138 20 10 CDCDHM CNC(=O)[C@H](C)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000042560625 357072368 /nfs/dbraw/zinc/07/23/68/357072368.db2.gz WEZUJKBZXFJNJS-LURJTMIESA-N -1 3 277.151 1.923 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCCNC(=O)[C@@H]2C)c1[O-] ZINC000189295500 357993644 /nfs/dbraw/zinc/99/36/44/357993644.db2.gz IELNKMWZJAJUBM-VIFPVBQESA-N -1 3 294.326 1.444 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)CC(C)(C)O)c([O-])c1O ZINC000297114763 200088825 /nfs/dbraw/zinc/08/88/25/200088825.db2.gz GNMGLEOIERYSBJ-VIFPVBQESA-N -1 3 267.325 1.686 20 10 CDCDHM CCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000272195483 365126168 /nfs/dbraw/zinc/12/61/68/365126168.db2.gz GPXYRHLBVBIZBL-UHFFFAOYSA-N -1 3 285.727 1.957 20 10 CDCDHM O=C(c1ccccn1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000272231732 365142776 /nfs/dbraw/zinc/14/27/76/365142776.db2.gz DYACVPHBUIXBCA-UHFFFAOYSA-N -1 3 297.358 1.745 20 10 CDCDHM Cc1ccc(C(=O)N(C)CC(=O)OC(C)(C)C)c([O-])c1O ZINC000272896417 365436285 /nfs/dbraw/zinc/43/62/85/365436285.db2.gz ZVKLZLCHKHGWIL-UHFFFAOYSA-N -1 3 295.335 1.820 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CC1)OCCCO2 ZINC000293911543 370855306 /nfs/dbraw/zinc/85/53/06/370855306.db2.gz CLYSJUNXZCFIFP-UHFFFAOYSA-N -1 3 293.319 1.467 20 10 CDCDHM CO[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000294771666 371089896 /nfs/dbraw/zinc/08/98/96/371089896.db2.gz ZUDMLNPYHSGXND-NSHDSACASA-N -1 3 265.309 1.561 20 10 CDCDHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177677068 391174115 /nfs/dbraw/zinc/17/41/15/391174115.db2.gz OMZHSFGPVCHSAH-VHSXEESVSA-N -1 3 294.351 1.439 20 10 CDCDHM COCCn1ccc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000179470616 391207734 /nfs/dbraw/zinc/20/77/34/391207734.db2.gz QRKHUQODWRHOEL-UHFFFAOYSA-N -1 3 291.307 1.501 20 10 CDCDHM C[C@@H](O)CN1CCN(Cc2cc(F)ccc2[O-])[C@@H](C)C1 ZINC000284278512 391481868 /nfs/dbraw/zinc/48/18/68/391481868.db2.gz HKNBGAHIQMJJRL-NWDGAFQWSA-N -1 3 282.359 1.418 20 10 CDCDHM O=[N+]([O-])c1cc(Cl)cc(CN(CCO)C2CC2)c1[O-] ZINC000153601750 261081016 /nfs/dbraw/zinc/08/10/16/261081016.db2.gz XXIMHDJLCYSBEV-UHFFFAOYSA-N -1 3 286.715 1.911 20 10 CDCDHM Cc1ccc(C(=O)N(C)CCc2cnccn2)c([O-])c1O ZINC000272923555 263010081 /nfs/dbraw/zinc/01/00/81/263010081.db2.gz FKBGZKNGXIPSEC-UHFFFAOYSA-N -1 3 287.319 1.511 20 10 CDCDHM CN(CCCCCO)C(=O)c1cccc(O)c1[O-] ZINC000227071528 329268362 /nfs/dbraw/zinc/26/83/62/329268362.db2.gz XNELLLPQSBNPRF-UHFFFAOYSA-N -1 3 253.298 1.332 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)CC[C@H](C)O)c1[O-] ZINC000079464779 330332687 /nfs/dbraw/zinc/33/26/87/330332687.db2.gz FEPGZQIWDOESOB-VIFPVBQESA-N -1 3 269.316 1.937 20 10 CDCDHM COc1c([O-])c(CN(C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000289422112 521871313 /nfs/dbraw/zinc/87/13/13/521871313.db2.gz JJTILUXOPQWIMM-MRVPVSSYSA-N -1 3 270.285 1.122 20 10 CDCDHM Cc1ccc(C(=O)NCCC[C@H](C)O)c([O-])c1O ZINC000279115789 526161995 /nfs/dbraw/zinc/16/19/95/526161995.db2.gz LHJRHAWRVBBLBR-VIFPVBQESA-N -1 3 253.298 1.297 20 10 CDCDHM O=C(N[C@H]1CCOC2(CCC2)C1)c1cccc(O)c1[O-] ZINC000279686021 527054747 /nfs/dbraw/zinc/05/47/47/527054747.db2.gz BBARHUIUZQOODK-JTQLQIEISA-N -1 3 277.320 1.929 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCC[C@](F)(CO)C1 ZINC000289856173 527599768 /nfs/dbraw/zinc/59/97/68/527599768.db2.gz QGYWWGUHGVLOJT-CYBMUJFWSA-N -1 3 257.280 1.828 20 10 CDCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC(C)(C)C ZINC000731909780 575070453 /nfs/dbraw/zinc/07/04/53/575070453.db2.gz KDDQIWIMPDWYSV-SSDOTTSWSA-N -1 3 271.338 1.914 20 10 CDCDHM O=C(Nc1nnc2ccccn21)c1cc([O-])cs1 ZINC000732268399 575084979 /nfs/dbraw/zinc/08/49/79/575084979.db2.gz FNARHCALRPDMTJ-UHFFFAOYSA-N -1 3 260.278 1.749 20 10 CDCDHM CCCCOC(=O)CNC(=O)c1cc([O-])cs1 ZINC000732289428 575087149 /nfs/dbraw/zinc/08/71/49/575087149.db2.gz QHBSEAPCZFHRIW-UHFFFAOYSA-N -1 3 257.311 1.527 20 10 CDCDHM CN(CC(F)(F)F)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732354709 575088142 /nfs/dbraw/zinc/08/81/42/575088142.db2.gz RMGBFQOKMXRCOP-UHFFFAOYSA-N -1 3 297.254 1.631 20 10 CDCDHM O=C1CN(Cc2ccccc2)[C@H](c2cccc(O)c2[O-])N1 ZINC000732818787 575097452 /nfs/dbraw/zinc/09/74/52/575097452.db2.gz IMXDHORNBAAWQK-MRXNPFEDSA-N -1 3 284.315 1.728 20 10 CDCDHM CN1CCC2(CCN(C(=O)c3cc([O-])cs3)CC2)C1=O ZINC000774880257 575247903 /nfs/dbraw/zinc/24/79/03/575247903.db2.gz VQILMZYPCRBXCO-UHFFFAOYSA-N -1 3 294.376 1.538 20 10 CDCDHM CC[C@@H](C[C@H](C)CO)NC(=O)c1cc([O-])cs1 ZINC000765310749 576008306 /nfs/dbraw/zinc/00/83/06/576008306.db2.gz MIHCROSPRLLZFB-IUCAKERBSA-N -1 3 257.355 1.981 20 10 CDCDHM CCC[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768465659 576287174 /nfs/dbraw/zinc/28/71/74/576287174.db2.gz OPNIUDIDXUCFMJ-WFASDCNBSA-N -1 3 293.363 1.819 20 10 CDCDHM COc1cccc([O-])c1CN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000769193356 576336952 /nfs/dbraw/zinc/33/69/52/576336952.db2.gz XZRRWVFGAXPYMH-QWHCGFSZSA-N -1 3 290.363 1.644 20 10 CDCDHM COc1cccc([O-])c1CN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000769193351 576337002 /nfs/dbraw/zinc/33/70/02/576337002.db2.gz XZRRWVFGAXPYMH-CHWSQXEVSA-N -1 3 290.363 1.644 20 10 CDCDHM CN1C(=O)C2(CCCC2)N[C@@H]1c1cccc(O)c1[O-] ZINC000742439191 576603055 /nfs/dbraw/zinc/60/30/55/576603055.db2.gz JTXLHUFQYUCJSQ-LBPRGKRZSA-N -1 3 262.309 1.471 20 10 CDCDHM O=S(=O)([N-]Cc1ccccc1O)c1ccccn1 ZINC000758320000 577097436 /nfs/dbraw/zinc/09/74/36/577097436.db2.gz MZQBBFDVDSITHV-UHFFFAOYSA-N -1 3 264.306 1.266 20 10 CDCDHM CCOC(=O)[C@@H](C)CNC(=O)c1cc([O-])cs1 ZINC000752815909 577129655 /nfs/dbraw/zinc/12/96/55/577129655.db2.gz OXJBWRYBAYYRBA-ZETCQYMHSA-N -1 3 257.311 1.383 20 10 CDCDHM Cc1ccnc(N(C)Cc2ccccc2O)c1-c1nnn[n-]1 ZINC000826309059 609583703 /nfs/dbraw/zinc/58/37/03/609583703.db2.gz BVOSWTONSKKGBL-UHFFFAOYSA-N -1 3 296.334 1.912 20 10 CDCDHM Cc1ccnc(N(C)Cc2ccccc2O)c1-c1nn[n-]n1 ZINC000826309059 609583705 /nfs/dbraw/zinc/58/37/05/609583705.db2.gz BVOSWTONSKKGBL-UHFFFAOYSA-N -1 3 296.334 1.912 20 10 CDCDHM O=C1OCC[C@@H]1NCc1ccc(Br)cc1[O-] ZINC000895807993 619855281 /nfs/dbraw/zinc/85/52/81/619855281.db2.gz FZFZEAMLJODSQO-VIFPVBQESA-N -1 3 286.125 1.560 20 10 CDCDHM C[C@@H]1[C@@H](C)N(C(=O)c2cccc(O)c2[O-])[C@@H](C)C(=O)N1C ZINC000912015912 629735790 /nfs/dbraw/zinc/73/57/90/629735790.db2.gz VPVSCNLXZDDGCK-BBBLOLIVSA-N -1 3 292.335 1.178 20 10 CDCDHM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001608696621 1164608483 /nfs/dbraw/zinc/60/84/83/1164608483.db2.gz LEPHTNZKDQYIMY-GWCFXTLKSA-N -1 3 293.319 1.257 20 10 CDCDHM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001608696621 1164608485 /nfs/dbraw/zinc/60/84/85/1164608485.db2.gz LEPHTNZKDQYIMY-GWCFXTLKSA-N -1 3 293.319 1.257 20 10 CDCDHM Oc1cccc(O)c1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001582816465 1172695964 /nfs/dbraw/zinc/69/59/64/1172695964.db2.gz LZXNMZCFJPASIO-UHFFFAOYSA-N -1 3 284.279 1.285 20 10 CDCDHM Oc1cccc(O)c1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001582816465 1172695968 /nfs/dbraw/zinc/69/59/68/1172695968.db2.gz LZXNMZCFJPASIO-UHFFFAOYSA-N -1 3 284.279 1.285 20 10 CDCDHM CC[C@H]([NH2+]CC[C@H](C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470973 1173422048 /nfs/dbraw/zinc/42/20/48/1173422048.db2.gz TVCGWORKKRCTFI-CABZTGNLSA-N -1 3 291.355 1.384 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)C(F)(F)F ZINC000819566870 818051732 /nfs/dbraw/zinc/05/17/32/818051732.db2.gz SUFMTZSGQDYJFG-MLUIRONXSA-N -1 3 279.214 1.139 20 10 CDCDHM O=C(NCc1c(O)ccc2c1CCCC2)c1cc(=O)[n-]cn1 ZINC000860243094 818209066 /nfs/dbraw/zinc/20/90/66/818209066.db2.gz FPWOECUXYDTIHQ-UHFFFAOYSA-N -1 3 299.330 1.697 20 10 CDCDHM O=S1(=O)CC[C@@H](N(Cc2cc(F)ccc2[O-])C2CC2)C1 ZINC000179935452 818317039 /nfs/dbraw/zinc/31/70/39/818317039.db2.gz VOGIWJFHINJVKO-CYBMUJFWSA-N -1 3 299.367 1.683 20 10 CDCDHM CN(C)c1cccc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000189533010 818708204 /nfs/dbraw/zinc/70/82/04/818708204.db2.gz LZATUOFYIBQCLX-UHFFFAOYSA-N -1 3 287.319 1.489 20 10 CDCDHM Cc1ccc(C(=O)Nc2ccccc2C(N)=O)c([O-])c1O ZINC000179397874 818731132 /nfs/dbraw/zinc/73/11/32/818731132.db2.gz UVPGKFUJBPZXRH-UHFFFAOYSA-N -1 3 286.287 1.757 20 10 CDCDHM COC(=O)C1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000790827563 819156890 /nfs/dbraw/zinc/15/68/90/819156890.db2.gz UQXDRNZYKGWXTF-UHFFFAOYSA-N -1 3 293.319 1.561 20 10 CDCDHM CON1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000846975492 819175739 /nfs/dbraw/zinc/17/57/39/819175739.db2.gz HGBCKUBGTOJOHU-UHFFFAOYSA-N -1 3 282.315 1.413 20 10 CDCDHM O=C(NCCCOCC1CC1)c1cccc(O)c1[O-] ZINC000186809572 819473018 /nfs/dbraw/zinc/47/30/18/819473018.db2.gz WVALPUKDPAFNRE-UHFFFAOYSA-N -1 3 265.309 1.644 20 10 CDCDHM O=C(NC[C@H](O)c1cccc(F)c1)c1cccc(O)c1[O-] ZINC000187025445 819588272 /nfs/dbraw/zinc/58/82/72/819588272.db2.gz BFUIKSUEHBKQOQ-ZDUSSCGKSA-N -1 3 291.278 1.700 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(C2CCC2)CC1 ZINC000884981205 820078546 /nfs/dbraw/zinc/07/85/46/820078546.db2.gz HRHUUSLMJPSIIY-UHFFFAOYSA-N -1 3 291.347 1.865 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](O)C[C@H]1CO ZINC000816573493 820341926 /nfs/dbraw/zinc/34/19/26/820341926.db2.gz AHIDTYICQFBRMD-DTWKUNHWSA-N -1 3 275.707 1.112 20 10 CDCDHM Cc1ccc(C(=O)N(C)c2cnn(C)c2)c([O-])c1O ZINC000780948374 820889807 /nfs/dbraw/zinc/88/98/07/820889807.db2.gz DTACZSWNFRXXID-UHFFFAOYSA-N -1 3 261.281 1.416 20 10 CDCDHM Cn1cc(C(C)(C)NC(=O)c2cccc(O)c2[O-])cn1 ZINC000839800790 821369043 /nfs/dbraw/zinc/36/90/43/821369043.db2.gz WHNZWYKNTIULMC-UHFFFAOYSA-N -1 3 275.308 1.496 20 10 CDCDHM Cn1cc([C@H](CO)NCc2cc(F)cc(F)c2[O-])cn1 ZINC000883076444 821785449 /nfs/dbraw/zinc/78/54/49/821785449.db2.gz DDFNIHCMCADVMJ-LBPRGKRZSA-N -1 3 283.278 1.227 20 10 CDCDHM O=C(NCCc1ccccn1)c1cccc(O)c1[O-] ZINC000126215599 822138570 /nfs/dbraw/zinc/13/85/70/822138570.db2.gz JZOTXNLTKYDDSL-UHFFFAOYSA-N -1 3 258.277 1.465 20 10 CDCDHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000193119273 822391654 /nfs/dbraw/zinc/39/16/54/822391654.db2.gz OLNYJNUAMCPZDB-SNVBAGLBSA-N -1 3 277.276 1.808 20 10 CDCDHM CN(CCO)Cc1c([O-])cccc1Br ZINC000862211286 822442187 /nfs/dbraw/zinc/44/21/87/822442187.db2.gz GLACIQKULBIGJV-UHFFFAOYSA-N -1 3 260.131 1.579 20 10 CDCDHM Cn1cc2c(n1)CCN(Cc1cccc(F)c1[O-])C2 ZINC001138127488 936474637 /nfs/dbraw/zinc/47/46/37/936474637.db2.gz GCFDTBLETASDNN-UHFFFAOYSA-N -1 3 261.300 1.823 20 10 CDCDHM O=C1NCC2(CCN(Cc3c([O-])cc(F)cc3F)CC2)O1 ZINC001140583941 936727764 /nfs/dbraw/zinc/72/77/64/936727764.db2.gz ZNTWCIQDMPJNBS-UHFFFAOYSA-N -1 3 298.289 1.745 20 10 CDCDHM Cc1cccc(CNS(=O)(=O)c2ccc([O-])cc2)c1O ZINC001195828602 924748702 /nfs/dbraw/zinc/74/87/02/924748702.db2.gz KYUMKQPZAYEDSA-UHFFFAOYSA-N -1 3 293.344 1.885 20 10 CDCDHM COCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142822778 937074280 /nfs/dbraw/zinc/07/42/80/937074280.db2.gz MAAYRAAXIJKQJR-UHFFFAOYSA-N -1 3 280.711 1.856 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N(CCOCCO)C1CCC1 ZINC000855141869 928360505 /nfs/dbraw/zinc/36/05/05/928360505.db2.gz OYBBPWZRWAAMKM-UHFFFAOYSA-N -1 3 295.335 1.101 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC(=O)N(C)C[C@H]2C)c1[O-] ZINC000782591363 937255488 /nfs/dbraw/zinc/25/54/88/937255488.db2.gz FAURKYNTVIAOQW-SECBINFHSA-N -1 3 294.326 1.396 20 10 CDCDHM NC(=O)C1(NCc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816568315 930317482 /nfs/dbraw/zinc/31/74/82/930317482.db2.gz CUBCWNQOYWUYJN-UHFFFAOYSA-N -1 3 258.680 1.292 20 10 CDCDHM O=C(Nc1cnc2nccn2c1)c1cccc(O)c1[O-] ZINC001148212103 932669124 /nfs/dbraw/zinc/66/91/24/932669124.db2.gz MEFGPGREXDFCLO-UHFFFAOYSA-N -1 3 270.248 1.393 20 10 CDCDHM O=C(NCCN1CCC(F)(F)C1)c1cccc(O)c1[O-] ZINC001148224181 932672123 /nfs/dbraw/zinc/67/21/23/932672123.db2.gz FXFKNFBEOJURPP-UHFFFAOYSA-N -1 3 286.278 1.169 20 10 CDCDHM O=C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC001203643579 939699485 /nfs/dbraw/zinc/69/94/85/939699485.db2.gz ZSOWFTCGFCBVHJ-UHFFFAOYSA-N -1 3 256.099 1.539 20 10 CDCDHM CN1CCC([N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231448226 942893906 /nfs/dbraw/zinc/89/39/06/942893906.db2.gz AMBPGTQZTUBFKE-UHFFFAOYSA-N -1 3 278.352 1.616 20 10 CDCDHM CN1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231448226 942893909 /nfs/dbraw/zinc/89/39/09/942893909.db2.gz AMBPGTQZTUBFKE-UHFFFAOYSA-N -1 3 278.352 1.616 20 10 CDCDHM C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H]1CO ZINC001231447464 942893964 /nfs/dbraw/zinc/89/39/64/942893964.db2.gz UXLQJTPJFFGGDA-GXFFZTMASA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H]1CO ZINC001231447464 942893968 /nfs/dbraw/zinc/89/39/68/942893968.db2.gz UXLQJTPJFFGGDA-GXFFZTMASA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])[C@H]1CO ZINC001231560456 942926399 /nfs/dbraw/zinc/92/63/99/942926399.db2.gz IPOICYROPMSHQF-GWCFXTLKSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])[C@H]1CO ZINC001231560456 942926402 /nfs/dbraw/zinc/92/64/02/942926402.db2.gz IPOICYROPMSHQF-GWCFXTLKSA-N -1 3 279.336 1.683 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](CO)[C@@H](O)C1 ZINC001231910986 943051128 /nfs/dbraw/zinc/05/11/28/943051128.db2.gz XOOTZAWVPFMKFT-PWSUYJOCSA-N -1 3 271.744 1.221 20 10 CDCDHM O=C1CN(Cc2cc(Cl)c([O-])cc2O)CCCN1 ZINC001232259395 943192815 /nfs/dbraw/zinc/19/28/15/943192815.db2.gz IWMRHTDCNQKRMX-UHFFFAOYSA-N -1 3 270.716 1.073 20 10 CDCDHM CCN(Cc1c([O-])ccc(F)c1F)C1CN(C)C1 ZINC001233335671 943548849 /nfs/dbraw/zinc/54/88/49/943548849.db2.gz GMCQEVSQTFCYDW-UHFFFAOYSA-N -1 3 256.296 1.806 20 10 CDCDHM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CN2CCC1CC2 ZINC001234473590 943857983 /nfs/dbraw/zinc/85/79/83/943857983.db2.gz IKLKCHYJMUIPQT-OAHLLOKOSA-N -1 3 277.320 1.773 20 10 CDCDHM COC[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC001261845916 946297741 /nfs/dbraw/zinc/29/77/41/946297741.db2.gz SABAPGCZJNZCGL-NSHDSACASA-N -1 3 288.294 1.220 20 10 CDCDHM Cc1cc(CN2CC(=O)C2)c([O-])cc1Br ZINC001250128884 950000456 /nfs/dbraw/zinc/00/04/56/950000456.db2.gz NTWMQCGCNAPUME-UHFFFAOYSA-N -1 3 270.126 1.848 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OCCO)CC1 ZINC001331991121 957386798 /nfs/dbraw/zinc/38/67/98/957386798.db2.gz TVHHHUZTSARDFU-UHFFFAOYSA-N -1 3 287.306 1.644 20 10 CDCDHM C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247206 994461631 /nfs/dbraw/zinc/46/16/31/994461631.db2.gz FGZOHADBHOLWNX-GWNMQOMSSA-N -1 3 297.376 1.652 20 10 CDCDHM C[C@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1ccccc1[O-] ZINC001593286903 994649885 /nfs/dbraw/zinc/64/98/85/994649885.db2.gz ZMOBDEAYNMVQBD-VIFPVBQESA-N -1 3 276.296 1.033 20 10 CDCDHM CCOc1ccc([O-])c([C@H]2NC(=O)CN2CC(C)C)c1 ZINC000077474357 342328835 /nfs/dbraw/zinc/32/88/35/342328835.db2.gz YHKDEZXUIIHJBQ-HNNXBMFYSA-N -1 3 278.352 1.877 20 10 CDCDHM COCC(C)(C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000293582800 362408097 /nfs/dbraw/zinc/40/80/97/362408097.db2.gz AVJREHSLAOPFKB-UHFFFAOYSA-N -1 3 253.298 1.595 20 10 CDCDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(F)ccc1[O-] ZINC000180180115 357249336 /nfs/dbraw/zinc/24/93/36/357249336.db2.gz OMURDONDGLQQEI-ZJUUUORDSA-N -1 3 287.356 1.539 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])CC[S@@](=O)C1 ZINC000277636355 366559074 /nfs/dbraw/zinc/55/90/74/366559074.db2.gz YDUQVNRROUAJDB-XTZNXHDOSA-N -1 3 271.357 1.732 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCCc3c[nH]nc32)c([O-])c1O ZINC000272799933 365402697 /nfs/dbraw/zinc/40/26/97/365402697.db2.gz YJIRHSYZEYAMJL-NSHDSACASA-N -1 3 287.319 1.937 20 10 CDCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ncon1 ZINC000287061719 369075072 /nfs/dbraw/zinc/07/50/72/369075072.db2.gz MDEVOKHVYGZMBI-SNVBAGLBSA-N -1 3 277.280 1.608 20 10 CDCDHM CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCCO1 ZINC000294371712 371362641 /nfs/dbraw/zinc/36/26/41/371362641.db2.gz KZSYVMUQMFSHRR-ZDUSSCGKSA-N -1 3 279.336 1.985 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)C2(C)C)c1[O-] ZINC000106358974 391086864 /nfs/dbraw/zinc/08/68/64/391086864.db2.gz FDNCMHLYLZGGQM-UHFFFAOYSA-N -1 3 294.326 1.444 20 10 CDCDHM CCOCCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182980913 391248278 /nfs/dbraw/zinc/24/82/78/391248278.db2.gz XSKNPVRHOSJUID-UHFFFAOYSA-N -1 3 253.298 1.515 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)c2ncon2)c([O-])c1O ZINC000182957468 391248506 /nfs/dbraw/zinc/24/85/06/391248506.db2.gz ARGFCSCEZJQMKL-SSDOTTSWSA-N -1 3 263.253 1.280 20 10 CDCDHM CCCCN(CC(N)=O)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179429112 391204774 /nfs/dbraw/zinc/20/47/74/391204774.db2.gz QYQQEQKFDFLXHM-UHFFFAOYSA-N -1 3 280.324 1.134 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@H](O)C2)c([O-])c1O ZINC000179420152 391205071 /nfs/dbraw/zinc/20/50/71/391205071.db2.gz OLKMPDMNSCFXDU-VIFPVBQESA-N -1 3 251.282 1.003 20 10 CDCDHM O=C([C@@H]1CCCO1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179553115 391210365 /nfs/dbraw/zinc/21/03/65/391210365.db2.gz RGKXEOUBVWUYHQ-HNNXBMFYSA-N -1 3 290.363 1.215 20 10 CDCDHM CC(C)NC(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376969 391324503 /nfs/dbraw/zinc/32/45/03/391324503.db2.gz HJBMDIGZPBJMCM-VIFPVBQESA-N -1 3 281.312 1.476 20 10 CDCDHM CC(=O)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182884750 397969095 /nfs/dbraw/zinc/96/90/95/397969095.db2.gz XFXXMRQRBLODLK-MRVPVSSYSA-N -1 3 251.282 1.504 20 10 CDCDHM O=C(NC[C@H]1CCCOC1)c1cccc(O)c1[O-] ZINC000126358761 260351263 /nfs/dbraw/zinc/35/12/63/260351263.db2.gz QSBIPUOONKAKIN-SECBINFHSA-N -1 3 251.282 1.254 20 10 CDCDHM Cc1cc(Br)cc(CN(C)CC(N)=O)c1[O-] ZINC000162809436 261294766 /nfs/dbraw/zinc/29/47/66/261294766.db2.gz JFLWUYKDCJQMJR-UHFFFAOYSA-N -1 3 287.157 1.380 20 10 CDCDHM Cc1nc([C@H]2COCCN2Cc2ccccc2[O-])no1 ZINC000369473670 267243885 /nfs/dbraw/zinc/24/38/85/267243885.db2.gz XCBDZPHDENLYII-GFCCVEGCSA-N -1 3 275.308 1.657 20 10 CDCDHM CSCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591700285 1173690394 /nfs/dbraw/zinc/69/03/94/1173690394.db2.gz QZNBAUBGZHYQTC-MRVPVSSYSA-N -1 3 279.369 1.586 20 10 CDCDHM COCC[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000291326610 328263261 /nfs/dbraw/zinc/26/32/61/328263261.db2.gz UCBHCLYMRRPEEU-ZDUSSCGKSA-N -1 3 269.316 1.769 20 10 CDCDHM CN(Cc1cc(F)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000378491192 329052468 /nfs/dbraw/zinc/05/24/68/329052468.db2.gz FMHPPVIWAXWUOA-GFCCVEGCSA-N -1 3 266.316 1.632 20 10 CDCDHM CCn1cnnc1CN[C@@H](C)c1cc(F)ccc1[O-] ZINC000230658873 333319710 /nfs/dbraw/zinc/31/97/10/333319710.db2.gz KVBSFYSYVNFKCO-VIFPVBQESA-N -1 3 264.304 1.994 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CNC[C@H]1COCCN1 ZINC000530246865 333529720 /nfs/dbraw/zinc/52/97/20/333529720.db2.gz LMBWXKARMLDSOL-QMMMGPOBSA-N -1 3 274.723 1.263 20 10 CDCDHM CCCOc1ccc(CN[C@]2(C)CCOC2=O)c([O-])c1 ZINC000289704094 520375221 /nfs/dbraw/zinc/37/52/21/520375221.db2.gz DZANKPZQUNTMNI-OAHLLOKOSA-N -1 3 279.336 1.976 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000280241864 524612253 /nfs/dbraw/zinc/61/22/53/524612253.db2.gz KOHNFGLNHMOOSU-NHYWBVRUSA-N -1 3 281.327 1.911 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000290903239 524986209 /nfs/dbraw/zinc/98/62/09/524986209.db2.gz MGGDOFHWVMQXER-AOOOYVTPSA-N -1 3 287.356 1.539 20 10 CDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCCC2)c1 ZINC000048923136 525222247 /nfs/dbraw/zinc/22/22/47/525222247.db2.gz PCXCXSBATQODHD-UHFFFAOYSA-N -1 3 298.364 1.390 20 10 CDCDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000279390601 525659841 /nfs/dbraw/zinc/65/98/41/525659841.db2.gz VUSKIZBCAPQFRC-IXGDSRDXSA-N -1 3 283.349 1.079 20 10 CDCDHM C[C@@](O)(CNC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000280005137 525774892 /nfs/dbraw/zinc/77/48/92/525774892.db2.gz VRVYSOLWMXBMRO-SNVBAGLBSA-N -1 3 279.214 1.141 20 10 CDCDHM CS[C@H](CO)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272739115 525896677 /nfs/dbraw/zinc/89/66/77/525896677.db2.gz LRUSQWNQMLMNMG-WCBMZHEXSA-N -1 3 285.365 1.248 20 10 CDCDHM O=C1NC[C@]2(CCCN(Cc3cc(F)ccc3[O-])C2)O1 ZINC000364895812 527081148 /nfs/dbraw/zinc/08/11/48/527081148.db2.gz WEBPZRHPHKGQKM-AWEZNQCLSA-N -1 3 280.299 1.606 20 10 CDCDHM [O-]c1cccc(Cl)c1CNCc1nnnn1C1CC1 ZINC000742388366 574420946 /nfs/dbraw/zinc/42/09/46/574420946.db2.gz SQZHVKDEFFJXSV-UHFFFAOYSA-N -1 3 279.731 1.657 20 10 CDCDHM Cn1ccnc1N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000743467414 574435709 /nfs/dbraw/zinc/43/57/09/574435709.db2.gz AAEAVNCPKABKHU-UHFFFAOYSA-N -1 3 292.364 1.150 20 10 CDCDHM COCCN(CCOC)C(=O)c1cc([O-])cs1 ZINC000732266729 575084777 /nfs/dbraw/zinc/08/47/77/575084777.db2.gz IZQWEMSGIGSUOM-UHFFFAOYSA-N -1 3 259.327 1.189 20 10 CDCDHM CCCCNC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354180 575088207 /nfs/dbraw/zinc/08/82/07/575088207.db2.gz GFQFHSBZDCUIHI-MRVPVSSYSA-N -1 3 271.338 1.915 20 10 CDCDHM Cn1ccc(COC(=O)c2cc([O-])cs2)cc1=O ZINC000732355645 575088233 /nfs/dbraw/zinc/08/82/33/575088233.db2.gz RIJXSCJDSNQGGW-UHFFFAOYSA-N -1 3 265.290 1.509 20 10 CDCDHM CC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H](C)O1 ZINC000768447269 576283860 /nfs/dbraw/zinc/28/38/60/576283860.db2.gz NXTBZXSBJWEKSM-IXPVHAAZSA-N -1 3 293.363 1.817 20 10 CDCDHM COc1cccc([O-])c1CN1CCC[C@H]1C(=O)NC1CC1 ZINC000768520388 576292233 /nfs/dbraw/zinc/29/22/33/576292233.db2.gz LGFGIOLRDHAZIR-ZDUSSCGKSA-N -1 3 290.363 1.644 20 10 CDCDHM CCOc1ccc(CN2CCN3C(=O)OC[C@@H]3C2)c([O-])c1 ZINC000769484087 576358074 /nfs/dbraw/zinc/35/80/74/576358074.db2.gz UHPQKCIMSXMLTM-LBPRGKRZSA-N -1 3 292.335 1.427 20 10 CDCDHM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc([O-])cs1 ZINC000748299266 576904199 /nfs/dbraw/zinc/90/41/99/576904199.db2.gz QEQKPJSKMFOBNJ-WCQYABFASA-N -1 3 275.329 1.842 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc[nH]n2)c1 ZINC000756555043 576995452 /nfs/dbraw/zinc/99/54/52/576995452.db2.gz RKZHUETUDYQMAO-SECBINFHSA-N -1 3 275.308 1.753 20 10 CDCDHM COC(=O)CN(CCF)Cc1cc(Cl)ccc1[O-] ZINC000759348919 577172691 /nfs/dbraw/zinc/17/26/91/577172691.db2.gz VOGFQJMLQPZVEV-UHFFFAOYSA-N -1 3 275.707 1.990 20 10 CDCDHM COC(=O)[C@]1(C)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000839919535 618419751 /nfs/dbraw/zinc/41/97/51/618419751.db2.gz YICGLVPCWZJJMY-OAHLLOKOSA-N -1 3 293.319 1.513 20 10 CDCDHM Cc1nn(C)c(NC(=O)c2cccc(O)c2[O-])c1C ZINC000790666264 1162164890 /nfs/dbraw/zinc/16/48/90/1162164890.db2.gz PSHIXILHPXZNQV-UHFFFAOYSA-N -1 3 261.281 1.700 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589954692 1173212304 /nfs/dbraw/zinc/21/23/04/1173212304.db2.gz INJPDAVAGZHMTG-LDYMZIIASA-N -1 3 271.324 1.775 20 10 CDCDHM C[C@@H]([NH2+][C@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978007 1173219906 /nfs/dbraw/zinc/21/99/06/1173219906.db2.gz DVBYDKQENFLRAE-ZJUUUORDSA-N -1 3 289.339 1.402 20 10 CDCDHM CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471378 1173423155 /nfs/dbraw/zinc/42/31/55/1173423155.db2.gz DEPSOBIPNPSUFQ-AUTRQRHGSA-N -1 3 289.339 1.136 20 10 CDCDHM COc1cc(Cl)cc(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1[O-] ZINC001607166988 1164124864 /nfs/dbraw/zinc/12/48/64/1164124864.db2.gz IHSHZDXDLKHCPR-IAZYJMLFSA-N -1 3 297.738 1.817 20 10 CDCDHM COc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1[O-] ZINC001607166988 1164124868 /nfs/dbraw/zinc/12/48/68/1164124868.db2.gz IHSHZDXDLKHCPR-IAZYJMLFSA-N -1 3 297.738 1.817 20 10 CDCDHM COc1c([O-])c(CNC2(C)COC2)ccc1[N+](=O)[O-] ZINC000877691361 1166078782 /nfs/dbraw/zinc/07/87/82/1166078782.db2.gz NWDGVFOCFTZNCY-UHFFFAOYSA-N -1 3 268.269 1.188 20 10 CDCDHM Cc1cccnc1CNC(=O)c1cccc(O)c1[O-] ZINC000126409374 822722727 /nfs/dbraw/zinc/72/27/27/822722727.db2.gz YPPVWXLSYYIRSK-UHFFFAOYSA-N -1 3 258.277 1.731 20 10 CDCDHM O=C(NCCc1cccc(O)c1)c1cccc(O)c1[O-] ZINC000187042839 824236544 /nfs/dbraw/zinc/23/65/44/824236544.db2.gz UHOHIGUAVRNNSI-UHFFFAOYSA-N -1 3 273.288 1.776 20 10 CDCDHM CC(C)OC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000790483980 824298277 /nfs/dbraw/zinc/29/82/77/824298277.db2.gz OZVOFXNIVAEWMJ-UHFFFAOYSA-N -1 3 267.281 1.169 20 10 CDCDHM Cn1nncc1CNCc1cc(F)cc(F)c1[O-] ZINC000708517418 824739534 /nfs/dbraw/zinc/73/95/34/824739534.db2.gz OREIDYYEBWBMAN-UHFFFAOYSA-N -1 3 254.240 1.089 20 10 CDCDHM C[C@H](CS(C)(=O)=O)N(C)Cc1c([O-])cccc1Cl ZINC000125946710 825189097 /nfs/dbraw/zinc/18/90/97/825189097.db2.gz LUOHNFHTLPXXBG-SECBINFHSA-N -1 3 291.800 1.911 20 10 CDCDHM COC1(CNC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000790899865 825300358 /nfs/dbraw/zinc/30/03/58/825300358.db2.gz QFMQBBRQRMWFAO-UHFFFAOYSA-N -1 3 281.308 1.023 20 10 CDCDHM CN1C(=O)Cc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC000790098674 826164126 /nfs/dbraw/zinc/16/41/26/826164126.db2.gz ZRJMCJFGCUHFRJ-UHFFFAOYSA-N -1 3 298.298 1.869 20 10 CDCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1CO ZINC000700389429 826525978 /nfs/dbraw/zinc/52/59/78/826525978.db2.gz IIBALSNIFXMZHQ-VHSXEESVSA-N -1 3 265.309 1.188 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C)[S@@]1=O ZINC000792192725 827910516 /nfs/dbraw/zinc/91/05/16/827910516.db2.gz PODZMFQBZYLVLQ-LCKNKQDLSA-N -1 3 271.357 1.873 20 10 CDCDHM CCC[C@@H]([NH2+]Cc1c([O-])cccc1OC)C(=O)[O-] ZINC001605354805 1167887926 /nfs/dbraw/zinc/88/79/26/1167887926.db2.gz UKOXDPQJXKUMKK-SNVBAGLBSA-N -1 3 253.298 1.744 20 10 CDCDHM Cc1ccc(C(=O)Nc2ncccc2[O-])c(O)c1O ZINC000177663422 898249001 /nfs/dbraw/zinc/24/90/01/898249001.db2.gz JOOQGURZGQETPT-UHFFFAOYSA-N -1 3 260.249 1.759 20 10 CDCDHM [O-]c1cccc(F)c1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001137831557 936416536 /nfs/dbraw/zinc/41/65/36/936416536.db2.gz DYYZMLRMKIOMJV-NXEZZACHSA-N -1 3 257.280 1.684 20 10 CDCDHM CC(=O)N(C)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC001140341560 936703336 /nfs/dbraw/zinc/70/33/36/936703336.db2.gz WEXDVJHDGMYSOW-UHFFFAOYSA-N -1 3 268.744 1.708 20 10 CDCDHM CC(=O)NC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140466456 936712279 /nfs/dbraw/zinc/71/22/79/936712279.db2.gz GGPSDHJNDAHBLS-UHFFFAOYSA-N -1 3 254.717 1.366 20 10 CDCDHM N#CN1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140468285 936713231 /nfs/dbraw/zinc/71/32/31/936713231.db2.gz DTABJDSXXCVYTD-UHFFFAOYSA-N -1 3 251.717 1.644 20 10 CDCDHM Nc1cc(Cl)cnc1NC(=O)c1cccc(O)c1[O-] ZINC001148211990 932668935 /nfs/dbraw/zinc/66/89/35/932668935.db2.gz GTFSXMOOEHNVEY-UHFFFAOYSA-N -1 3 279.683 1.981 20 10 CDCDHM O=C(Nc1ncnc2[nH]ccc21)c1cccc(O)c1[O-] ZINC001148212768 932668964 /nfs/dbraw/zinc/66/89/64/932668964.db2.gz LEYLRBINKVCSFN-UHFFFAOYSA-N -1 3 270.248 1.621 20 10 CDCDHM Cc1ncc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC001148220172 932671374 /nfs/dbraw/zinc/67/13/74/932671374.db2.gz VUQGQKMGWJGDJO-UHFFFAOYSA-N -1 3 259.265 1.126 20 10 CDCDHM COC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC001148220093 932672418 /nfs/dbraw/zinc/67/24/18/932672418.db2.gz PVZSVYQMCMASSI-UHFFFAOYSA-N -1 3 279.292 1.313 20 10 CDCDHM COC[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203664774 939700354 /nfs/dbraw/zinc/70/03/54/939700354.db2.gz VXCZNADWKLTDCR-GFCCVEGCSA-N -1 3 271.744 1.893 20 10 CDCDHM N[C@]1(C(F)(F)F)CCN(Cc2cccc(F)c2[O-])C1 ZINC001206229476 940002758 /nfs/dbraw/zinc/00/27/58/940002758.db2.gz MCSXBDVFYDRKPP-LLVKDONJSA-N -1 3 278.249 1.997 20 10 CDCDHM [O-]c1c(O)cc(-c2nc(-c3cccnc3)no2)cc1O ZINC001215328539 940875063 /nfs/dbraw/zinc/87/50/63/940875063.db2.gz JXSVAMDVLZJMKE-UHFFFAOYSA-N -1 3 271.232 1.915 20 10 CDCDHM O=C([O-])c1ccc(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001231447324 942893787 /nfs/dbraw/zinc/89/37/87/942893787.db2.gz RQWNCSVRWJVZPC-UHFFFAOYSA-N -1 3 263.293 1.047 20 10 CDCDHM CCN1C(=O)CN(Cc2cc(Cl)c(C)cc2[O-])CC1=O ZINC001231868888 943034831 /nfs/dbraw/zinc/03/48/31/943034831.db2.gz ZFRYWZYVEPYEOZ-UHFFFAOYSA-N -1 3 296.754 1.545 20 10 CDCDHM Cc1cc([O-])c(CN2CC(=O)NC[C@H]2C)cc1Cl ZINC001231870137 943037377 /nfs/dbraw/zinc/03/73/77/943037377.db2.gz LHMNKNKDLAFEQR-SECBINFHSA-N -1 3 268.744 1.674 20 10 CDCDHM COc1cc([O-])c(CN2CCC(=O)C2)cc1Cl ZINC001232269886 943196693 /nfs/dbraw/zinc/19/66/93/943196693.db2.gz LZAPALMBAXHGLX-UHFFFAOYSA-N -1 3 255.701 1.829 20 10 CDCDHM COc1cc([O-])c(CN2CC(C(=O)N(C)C)C2)cc1Cl ZINC001232270198 943197688 /nfs/dbraw/zinc/19/76/88/943197688.db2.gz XYOJUDRBDDSHBH-UHFFFAOYSA-N -1 3 298.770 1.574 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])ccc(F)c2F)CCN1C ZINC001233334972 943548383 /nfs/dbraw/zinc/54/83/83/943548383.db2.gz BVLNGZUSTHSSCV-SECBINFHSA-N -1 3 256.296 1.806 20 10 CDCDHM CCOC(=O)[C@@H]1CNCCN1Cc1cccc(Cl)c1[O-] ZINC001329428915 955908962 /nfs/dbraw/zinc/90/89/62/955908962.db2.gz VHYRIQMIQYOBCR-LBPRGKRZSA-N -1 3 298.770 1.383 20 10 CDCDHM Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c([O-])c1 ZINC001574366618 961041167 /nfs/dbraw/zinc/04/11/67/961041167.db2.gz LWEGXGXJGCJOOZ-WFASDCNBSA-N -1 3 277.320 1.234 20 10 CDCDHM Cc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c([O-])c1 ZINC001574366618 961041187 /nfs/dbraw/zinc/04/11/87/961041187.db2.gz LWEGXGXJGCJOOZ-WFASDCNBSA-N -1 3 277.320 1.234 20 10 CDCDHM O=C([O-])[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C2 ZINC000713057188 977628949 /nfs/dbraw/zinc/62/89/49/977628949.db2.gz GAANIULXZJYFGX-PUYPPJJSSA-N -1 3 265.284 1.874 20 10 CDCDHM C[C@@H]([NH2+]CCSCCCO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271653 994605827 /nfs/dbraw/zinc/60/58/27/994605827.db2.gz KEGQGCWDXIKWLV-SNVBAGLBSA-N -1 3 299.392 1.857 20 10 CDCDHM CC(C)[C@@H](CO)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354618 994995490 /nfs/dbraw/zinc/99/54/90/994995490.db2.gz VBKDVFXVOYNFHY-BXKDBHETSA-N -1 3 267.325 1.758 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCO[C@@H](C(N)=O)C2)c1[O-] ZINC000179941084 357232523 /nfs/dbraw/zinc/23/25/23/357232523.db2.gz XSPVNQLLZJJSJI-LLVKDONJSA-N -1 3 284.743 1.040 20 10 CDCDHM CCN(CC)C(=O)CCCNC(=O)c1cccc(O)c1[O-] ZINC000188473132 357901821 /nfs/dbraw/zinc/90/18/21/357901821.db2.gz XUADITCSGXVUHS-UHFFFAOYSA-N -1 3 294.351 1.476 20 10 CDCDHM C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000185179308 358777110 /nfs/dbraw/zinc/77/71/10/358777110.db2.gz GZLWDJCRHUGHLO-ZETCQYMHSA-N -1 3 294.248 1.860 20 10 CDCDHM COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000267568582 363848599 /nfs/dbraw/zinc/84/85/99/363848599.db2.gz IDRJHZUUDNKKNX-LLVKDONJSA-N -1 3 295.335 1.724 20 10 CDCDHM CCCOc1ccc(CN2CC(=O)NCC2(C)C)c([O-])c1 ZINC000282894618 368090250 /nfs/dbraw/zinc/09/02/50/368090250.db2.gz ZOYYLUWFDQSFIW-UHFFFAOYSA-N -1 3 292.379 1.891 20 10 CDCDHM Cc1ccc(C(=O)NC[C@]2(O)CCC[C@H]2C)c([O-])c1O ZINC000294324080 378630753 /nfs/dbraw/zinc/63/07/53/378630753.db2.gz PMKBVEPERFGZEB-MEBBXXQBSA-N -1 3 279.336 1.687 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H](C)Cn2ccnc2)c([O-])c1O ZINC000182487158 391236009 /nfs/dbraw/zinc/23/60/09/391236009.db2.gz LOIXJWWKVWWQLJ-JTQLQIEISA-N -1 3 289.335 1.669 20 10 CDCDHM Cc1ccc(C(=O)N(C)C[C@@H]2CCC[C@H]2O)c([O-])c1O ZINC000182904262 391246992 /nfs/dbraw/zinc/24/69/92/391246992.db2.gz WSXIGBRQVAXNMM-CMPLNLGQSA-N -1 3 279.336 1.639 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](CCO)C(C)(C)C)c([O-])c1O ZINC000182981438 391247934 /nfs/dbraw/zinc/24/79/34/391247934.db2.gz HMQDBJLSRPTJJL-NSHDSACASA-N -1 3 281.352 1.933 20 10 CDCDHM CC(=O)C[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182884731 397969700 /nfs/dbraw/zinc/96/97/00/397969700.db2.gz XFXXMRQRBLODLK-QMMMGPOBSA-N -1 3 251.282 1.504 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@@H]2CO)c([O-])c1O ZINC000153963645 261086385 /nfs/dbraw/zinc/08/63/85/261086385.db2.gz NAHIKEHZBOTTQD-SECBINFHSA-N -1 3 251.282 1.003 20 10 CDCDHM CC[C@](C)(CCO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000183001395 261959144 /nfs/dbraw/zinc/95/91/44/261959144.db2.gz GYNRROZAIUPEPK-CQSZACIVSA-N -1 3 267.325 1.687 20 10 CDCDHM CCCCOC(=O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272534545 263006050 /nfs/dbraw/zinc/00/60/50/263006050.db2.gz AZXUFCRZPLTBHN-UHFFFAOYSA-N -1 3 281.308 1.479 20 10 CDCDHM COCCN(C(=O)c1cccc(O)c1[O-])C(C)C ZINC000126514296 1159211715 /nfs/dbraw/zinc/21/17/15/1159211715.db2.gz AKZMXZGEPTWNHN-UHFFFAOYSA-N -1 3 253.298 1.595 20 10 CDCDHM CCC[C@@](C)(NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000126732428 520925554 /nfs/dbraw/zinc/92/55/54/520925554.db2.gz JAHHAABMQFIXAD-CQSZACIVSA-N -1 3 281.308 1.559 20 10 CDCDHM CO[C@H]1COC[C@@H]1NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000290099120 524009604 /nfs/dbraw/zinc/00/96/04/524009604.db2.gz INCYDOSAFWQPHV-STQMWFEESA-N -1 3 283.299 1.237 20 10 CDCDHM O=C(NC[C@H](O)COc1ccccc1)c1cc([O-])cs1 ZINC000731869807 575066723 /nfs/dbraw/zinc/06/67/23/575066723.db2.gz WIHIMPRBTHMGQY-NSHDSACASA-N -1 3 293.344 1.623 20 10 CDCDHM Cn1cc(CCCOC(=O)c2cc([O-])cs2)cn1 ZINC000732354345 575088178 /nfs/dbraw/zinc/08/81/78/575088178.db2.gz JZKIRSZLZAVUCT-UHFFFAOYSA-N -1 3 266.322 1.977 20 10 CDCDHM CCOC(=O)CCCOC(=O)c1cc([O-])cs1 ZINC000733497457 575127600 /nfs/dbraw/zinc/12/76/00/575127600.db2.gz VWZUAJLNGMAOCV-UHFFFAOYSA-N -1 3 258.295 1.954 20 10 CDCDHM CCN(CCS(C)(=O)=O)Cc1c([O-])cccc1OC ZINC000769528779 575357209 /nfs/dbraw/zinc/35/72/09/575357209.db2.gz XAFPQVXOGZMWNR-UHFFFAOYSA-N -1 3 287.381 1.267 20 10 CDCDHM [O-]c1ccccc1CNCc1nnnn1CC1CC1 ZINC000769934815 575399166 /nfs/dbraw/zinc/39/91/66/575399166.db2.gz QEIPZCZISSLFJW-UHFFFAOYSA-N -1 3 259.313 1.079 20 10 CDCDHM Cc1ccc([C@H](C)NCc2nnnn2CC2CC2)c([O-])c1 ZINC000769989860 575406875 /nfs/dbraw/zinc/40/68/75/575406875.db2.gz RFUOKPUSNHCFRV-NSHDSACASA-N -1 3 287.367 1.948 20 10 CDCDHM C[C@@H]1C[C@H](CNC(=O)c2cc([O-])cs2)CCO1 ZINC000771416151 575576942 /nfs/dbraw/zinc/57/69/42/575576942.db2.gz LHLZSIIGPRLNKF-RKDXNWHRSA-N -1 3 255.339 1.999 20 10 CDCDHM C[C@H]1[C@H](C)N(C(=O)c2cc([O-])cs2)CCN1C ZINC000771418866 575578142 /nfs/dbraw/zinc/57/81/42/575578142.db2.gz OPWWZIPUYWZTDS-IUCAKERBSA-N -1 3 254.355 1.618 20 10 CDCDHM CC(C)(O)[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000768729791 576304901 /nfs/dbraw/zinc/30/49/01/576304901.db2.gz MEBIKHJFAJNUKJ-SNVBAGLBSA-N -1 3 255.339 1.829 20 10 CDCDHM CCOc1ccc(CN2CCCS(=O)(=O)CC2)c([O-])c1 ZINC000769400301 576352063 /nfs/dbraw/zinc/35/20/63/576352063.db2.gz PTQVCELZNCUXOS-UHFFFAOYSA-N -1 3 299.392 1.411 20 10 CDCDHM O=C(N[C@H]1CCc2ncsc2C1)c1cccc(O)c1[O-] ZINC000910842241 618531429 /nfs/dbraw/zinc/53/14/29/618531429.db2.gz SZYZAWTWHSZCBA-QMMMGPOBSA-N -1 3 290.344 1.842 20 10 CDCDHM COC(=O)[C@@](C)(CO)NCc1cc(Cl)ccc1[O-] ZINC000894974110 619171635 /nfs/dbraw/zinc/17/16/35/619171635.db2.gz AYFHPHCPQNOORC-GFCCVEGCSA-N -1 3 273.716 1.059 20 10 CDCDHM COc1ncccc1NC(=O)c1cccc(O)c1[O-] ZINC000040816834 621597014 /nfs/dbraw/zinc/59/70/14/621597014.db2.gz INFQWJQZMHYUMR-UHFFFAOYSA-N -1 3 260.249 1.754 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@@](OC)(C(=O)[O-])C1 ZINC001607326849 1164143323 /nfs/dbraw/zinc/14/33/23/1164143323.db2.gz UHDFXZFVBXXEGV-AWEZNQCLSA-N -1 3 281.308 1.076 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CC[C@@](OC)(C(=O)[O-])C1 ZINC001607326849 1164143327 /nfs/dbraw/zinc/14/33/27/1164143327.db2.gz UHDFXZFVBXXEGV-AWEZNQCLSA-N -1 3 281.308 1.076 20 10 CDCDHM CC[C@H]([NH2+][C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467692 1173418258 /nfs/dbraw/zinc/41/82/58/1173418258.db2.gz SPZNRLRTMHBKIJ-CABZTGNLSA-N -1 3 289.339 1.402 20 10 CDCDHM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cccc(O)c1[O-] ZINC000790911658 833259310 /nfs/dbraw/zinc/25/93/10/833259310.db2.gz TUNKHNYHXJUCET-ZJUUUORDSA-N -1 3 267.325 1.625 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cnn(C)c1 ZINC000311984447 833272175 /nfs/dbraw/zinc/27/21/75/833272175.db2.gz MNLVTLWJDIQQPG-MRVPVSSYSA-N -1 3 261.281 1.322 20 10 CDCDHM C[C@@H]1CC2(CC(NC(=O)c3cccc(O)c3[O-])C2)CO1 ZINC000888724074 828921798 /nfs/dbraw/zinc/92/17/98/828921798.db2.gz WQDQTISWUVJVKQ-SBTGLGLWSA-N -1 3 277.320 1.785 20 10 CDCDHM C[C@@H]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000398114413 833392529 /nfs/dbraw/zinc/39/25/29/833392529.db2.gz TYNHPOIZMUUOLQ-BDAKNGLRSA-N -1 3 251.282 1.395 20 10 CDCDHM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790944617 829852385 /nfs/dbraw/zinc/85/23/85/829852385.db2.gz CKCFFAWNKJEANV-VIFPVBQESA-N -1 3 294.351 1.473 20 10 CDCDHM Cc1noc(C)c1CNC(=O)c1cccc(O)c1[O-] ZINC000126473254 830041846 /nfs/dbraw/zinc/04/18/46/830041846.db2.gz GBNBCXAJRKJWFY-UHFFFAOYSA-N -1 3 262.265 1.633 20 10 CDCDHM COC[C@H]1CCCN1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000862594452 832456286 /nfs/dbraw/zinc/45/62/86/832456286.db2.gz FKINORQUSZJOLR-SNVBAGLBSA-N -1 3 280.324 1.162 20 10 CDCDHM CCCN1C[C@@H](CNC(=O)c2cccc(O)c2[O-])CC1=O ZINC000817622263 832848361 /nfs/dbraw/zinc/84/83/61/832848361.db2.gz OVGFOEKPAGYYDI-SNVBAGLBSA-N -1 3 292.335 1.086 20 10 CDCDHM O=C(NCCOC1CCCC1)c1cccc(O)c1[O-] ZINC000126421453 834093094 /nfs/dbraw/zinc/09/30/94/834093094.db2.gz MAIQVKWVTLXGRG-UHFFFAOYSA-N -1 3 265.309 1.787 20 10 CDCDHM O=C(NCCC1CSC1)c1cccc(O)c1[O-] ZINC000854977614 834846221 /nfs/dbraw/zinc/84/62/21/834846221.db2.gz GIRFMNFDDZYRSF-UHFFFAOYSA-N -1 3 253.323 1.581 20 10 CDCDHM Cc1nnc(CN(C)Cc2cc(F)ccc2[O-])o1 ZINC000827039251 834907376 /nfs/dbraw/zinc/90/73/76/834907376.db2.gz LSGMHQSCQNVSSH-UHFFFAOYSA-N -1 3 251.261 1.855 20 10 CDCDHM O=C1CN(Cc2cc(F)ccc2[O-])C[C@@H]2CCCN12 ZINC001140058464 936675158 /nfs/dbraw/zinc/67/51/58/936675158.db2.gz AZLYQNPJHNPVJC-LBPRGKRZSA-N -1 3 264.300 1.338 20 10 CDCDHM C[C@@H]1CNC(=O)CN1Cc1ccc(Cl)cc1[O-] ZINC001140466144 936712747 /nfs/dbraw/zinc/71/27/47/936712747.db2.gz YSGWLFPJJHHKNR-MRVPVSSYSA-N -1 3 254.717 1.366 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCc2nncn2CC1 ZINC001137833209 922562824 /nfs/dbraw/zinc/56/28/24/922562824.db2.gz WXYBBEPBUQSJHC-UHFFFAOYSA-N -1 3 262.288 1.181 20 10 CDCDHM NCc1ncccc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193634351 923822745 /nfs/dbraw/zinc/82/27/45/923822745.db2.gz VAOBEHZQRDTNEI-UHFFFAOYSA-N -1 3 293.710 1.857 20 10 CDCDHM CN1C[C@@H]2C[C@H]1CN2Cc1cc(F)c(F)cc1[O-] ZINC001142525015 937027662 /nfs/dbraw/zinc/02/76/62/937027662.db2.gz TVOCFSBASYJZTI-UWVGGRQHSA-N -1 3 254.280 1.559 20 10 CDCDHM CO[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1OC ZINC001142508885 937024628 /nfs/dbraw/zinc/02/46/28/937024628.db2.gz OWFOLLYYUYSSIP-BETUJISGSA-N -1 3 273.279 1.516 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](O)[C@H](F)CC1 ZINC001142508707 937025412 /nfs/dbraw/zinc/02/54/12/937025412.db2.gz IWKKYDOPSKWXKH-BXKDBHETSA-N -1 3 275.270 1.965 20 10 CDCDHM O=C1NC[C@@]2(CCCN(Cc3cc(F)c(F)cc3[O-])C2)O1 ZINC001142526970 937027880 /nfs/dbraw/zinc/02/78/80/937027880.db2.gz DCNSRMBVDNFADT-CQSZACIVSA-N -1 3 298.289 1.745 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(CCCO)CC1 ZINC000400882187 937344455 /nfs/dbraw/zinc/34/44/55/937344455.db2.gz SALAMVVAAOBXSU-UHFFFAOYSA-N -1 3 279.336 1.723 20 10 CDCDHM Cc1cc(C)c(CNC(=O)c2cc(=O)[n-]c(=O)[nH]2)c(O)c1 ZINC001147701613 932583624 /nfs/dbraw/zinc/58/36/24/932583624.db2.gz KYPOEZYHYGDAFR-UHFFFAOYSA-N -1 3 289.291 1.140 20 10 CDCDHM O=C(NC1(c2ncccn2)CC1)c1cccc(O)c1[O-] ZINC001148224477 932671973 /nfs/dbraw/zinc/67/19/73/932671973.db2.gz MTWOCNGWCXCXBR-UHFFFAOYSA-N -1 3 271.276 1.307 20 10 CDCDHM C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccncc1 ZINC001148580697 932751785 /nfs/dbraw/zinc/75/17/85/932751785.db2.gz JXJOKCWBHZGCPY-QMMMGPOBSA-N -1 3 274.276 1.689 20 10 CDCDHM O=C(NCc1ccccc1O)c1cc(O)c([O-])c(O)c1 ZINC001148589681 932752959 /nfs/dbraw/zinc/75/29/59/932752959.db2.gz GSNHKIGDLGTYDJ-UHFFFAOYSA-N -1 3 275.260 1.439 20 10 CDCDHM N[C@H]1CN(Cc2cccc(F)c2[O-])CCC1(F)F ZINC001206668134 938704199 /nfs/dbraw/zinc/70/41/99/938704199.db2.gz PEOUOEJMEUWZNY-JTQLQIEISA-N -1 3 260.259 1.700 20 10 CDCDHM CCCN1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231565530 942930765 /nfs/dbraw/zinc/93/07/65/942930765.db2.gz ZXSURKGHOPLLLP-UHFFFAOYSA-N -1 3 278.352 1.618 20 10 CDCDHM CCNC(=O)CN(C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232267082 943196153 /nfs/dbraw/zinc/19/61/53/943196153.db2.gz WAEXSBWWNFNJHQ-UHFFFAOYSA-N -1 3 286.759 1.622 20 10 CDCDHM CCN1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(F)c1[O-] ZINC001233079645 943486766 /nfs/dbraw/zinc/48/67/66/943486766.db2.gz IRDIJBJEYGYSPF-QWRGUYRKSA-N -1 3 268.307 1.949 20 10 CDCDHM [O-]c1c(CN2CCOC[C@H](O)C2)cccc1C(F)(F)F ZINC001233415566 943580195 /nfs/dbraw/zinc/58/01/95/943580195.db2.gz AVVLTDXFLHKOMP-SNVBAGLBSA-N -1 3 291.269 1.604 20 10 CDCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H](CO)C1 ZINC001237814035 944962311 /nfs/dbraw/zinc/96/23/11/944962311.db2.gz OOPQCOBRAINTQT-QMMMGPOBSA-N -1 3 259.708 1.999 20 10 CDCDHM [O-]c1cc2c(ncnc2-c2ccc(N3CCCC3)cc2)[nH]1 ZINC001240587049 945929207 /nfs/dbraw/zinc/92/92/07/945929207.db2.gz IITRGRJMNRYEBK-UHFFFAOYSA-N -1 3 280.331 1.958 20 10 CDCDHM O=C([N-]c1c2nonc2ccc1Cl)c1ccncn1 ZINC001325344773 953852131 /nfs/dbraw/zinc/85/21/31/953852131.db2.gz IAVRGPHANIPMHV-UHFFFAOYSA-N -1 3 275.655 1.919 20 10 CDCDHM CC(=O)N1CC[C@@H](CN(C)C(=O)c2cccc(O)c2[O-])C1 ZINC001326766539 954535101 /nfs/dbraw/zinc/53/51/01/954535101.db2.gz WVYUTMZEPKNMLY-NSHDSACASA-N -1 3 292.335 1.038 20 10 CDCDHM Cc1nnc2n1CCN(C(=O)c1cccc(O)c1[O-])[C@@H]2C ZINC001306033772 956294493 /nfs/dbraw/zinc/29/44/93/956294493.db2.gz LEZAPOGPEDGDEF-MRVPVSSYSA-N -1 3 288.307 1.215 20 10 CDCDHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(F)c(F)cc1[O-] ZINC001308691333 956562911 /nfs/dbraw/zinc/56/29/11/956562911.db2.gz BQQZRDAOECFHET-HNXYLICVSA-N -1 3 296.317 1.756 20 10 CDCDHM O=C([O-])C[N@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC001339150415 962207771 /nfs/dbraw/zinc/20/77/71/962207771.db2.gz CJMOJWZDAIQQMF-UHFFFAOYSA-N -1 3 265.309 1.458 20 10 CDCDHM O=C([O-])C[N@@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC001339150415 962207786 /nfs/dbraw/zinc/20/77/86/962207786.db2.gz CJMOJWZDAIQQMF-UHFFFAOYSA-N -1 3 265.309 1.458 20 10 CDCDHM Cn1nccc1[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001605567355 973812207 /nfs/dbraw/zinc/81/22/07/973812207.db2.gz DDEAKWJDIMVKDF-GFCCVEGCSA-N -1 3 279.271 1.180 20 10 CDCDHM CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1ccccc1[O-] ZINC001595316516 980484327 /nfs/dbraw/zinc/48/43/27/980484327.db2.gz FQYKRNTYPIWEHG-JBLDHEPKSA-N -1 3 294.351 1.411 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCN(c2cnccn2)CC1 ZINC000179935888 357232280 /nfs/dbraw/zinc/23/22/80/357232280.db2.gz RJSZJWUEHCMTTD-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM COCCCNC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000111236043 359197082 /nfs/dbraw/zinc/19/70/82/359197082.db2.gz YQZGAGYJZYJTPA-LBPRGKRZSA-N -1 3 280.368 1.365 20 10 CDCDHM CCCOc1ccc(CN2CC(O)(COC)C2)c([O-])c1 ZINC000297295853 200138474 /nfs/dbraw/zinc/13/84/74/200138474.db2.gz BGFYANUZWCALMD-UHFFFAOYSA-N -1 3 281.352 1.374 20 10 CDCDHM CN1C[C@H](NCc2c([O-])cccc2Cl)CC1=O ZINC000264999326 360388194 /nfs/dbraw/zinc/38/81/94/360388194.db2.gz ZBUZNBBGEBZMSR-MRVPVSSYSA-N -1 3 254.717 1.366 20 10 CDCDHM CN(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1[O-] ZINC000269604952 364260808 /nfs/dbraw/zinc/26/08/08/364260808.db2.gz BQJXARUCWPBVDD-CYBMUJFWSA-N -1 3 278.352 1.119 20 10 CDCDHM COC(=O)[C@]1(F)CCN(Cc2cc(F)ccc2[O-])C1 ZINC000272378059 365212947 /nfs/dbraw/zinc/21/29/47/365212947.db2.gz HIZUSIGOSAFKFW-ZDUSSCGKSA-N -1 3 271.263 1.618 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cnn(C)c2)c1 ZINC000273432751 365494926 /nfs/dbraw/zinc/49/49/26/365494926.db2.gz WGTNQWAFQGMLMU-SNVBAGLBSA-N -1 3 289.335 1.763 20 10 CDCDHM C[C@@H](NC[C@@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273429300 296127817 /nfs/dbraw/zinc/12/78/17/296127817.db2.gz VFLKYYKEMUQFQO-LHLIQPBNSA-N -1 3 294.229 1.874 20 10 CDCDHM Cc1nc([C@H]2COCCN2Cc2cc(F)ccc2[O-])no1 ZINC000373111438 391106145 /nfs/dbraw/zinc/10/61/45/391106145.db2.gz HGWRWVMFKKJUKD-GFCCVEGCSA-N -1 3 293.298 1.796 20 10 CDCDHM O=C1CN(Cc2ccccc2[O-])[C@H]2CCCC[C@@H]2N1 ZINC000179565376 391211436 /nfs/dbraw/zinc/21/14/36/391211436.db2.gz YWEYGBVSNFBVEF-STQMWFEESA-N -1 3 260.337 1.635 20 10 CDCDHM CC(C)NC(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376967 391324898 /nfs/dbraw/zinc/32/48/98/391324898.db2.gz HJBMDIGZPBJMCM-SECBINFHSA-N -1 3 281.312 1.476 20 10 CDCDHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000126284134 260349482 /nfs/dbraw/zinc/34/94/82/260349482.db2.gz KAMSWSGQRUHKMZ-VHSXEESVSA-N -1 3 265.309 1.737 20 10 CDCDHM COC(=O)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126503387 260352754 /nfs/dbraw/zinc/35/27/54/260352754.db2.gz KCIHWDJHMAQACL-SNVBAGLBSA-N -1 3 279.292 1.266 20 10 CDCDHM CCCOc1ccc(CN2CCNC(=O)C2)c([O-])c1 ZINC000160507036 261216334 /nfs/dbraw/zinc/21/63/34/261216334.db2.gz KFZDZUBBSIPVIE-UHFFFAOYSA-N -1 3 264.325 1.113 20 10 CDCDHM CCCOc1ccc(CN[C@@H](C)C(=O)OC)c([O-])c1 ZINC000279780348 520369423 /nfs/dbraw/zinc/36/94/23/520369423.db2.gz CAMOIYREXGZZJP-JTQLQIEISA-N -1 3 267.325 1.832 20 10 CDCDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCO1 ZINC000279460511 522726984 /nfs/dbraw/zinc/72/69/84/522726984.db2.gz MQDHWIRWFYENPF-JQWIXIFHSA-N -1 3 281.308 1.022 20 10 CDCDHM COC(=O)[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079437211 523695166 /nfs/dbraw/zinc/69/51/66/523695166.db2.gz ORZJELAZHFWPAZ-ZDUSSCGKSA-N -1 3 295.310 1.871 20 10 CDCDHM COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000276258258 523927263 /nfs/dbraw/zinc/92/72/63/523927263.db2.gz AQALJKZIJWIGGH-CYBMUJFWSA-N -1 3 295.310 1.775 20 10 CDCDHM COCCO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000275448495 524032560 /nfs/dbraw/zinc/03/25/60/524032560.db2.gz CJHDRYSOLXNQOK-LLVKDONJSA-N -1 3 295.335 1.284 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])CC[S@](=O)C1 ZINC000277636347 524987896 /nfs/dbraw/zinc/98/78/96/524987896.db2.gz YDUQVNRROUAJDB-MGNBDDOMSA-N -1 3 271.357 1.732 20 10 CDCDHM CSC1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000280218895 525328944 /nfs/dbraw/zinc/32/89/44/525328944.db2.gz WPQFKEKRWYHNHT-UHFFFAOYSA-N -1 3 253.323 1.723 20 10 CDCDHM NC(=O)Cc1csc(NC(=O)c2cc([O-])cs2)n1 ZINC000731866914 575068289 /nfs/dbraw/zinc/06/82/89/575068289.db2.gz KWGKNIUIFLIKHK-UHFFFAOYSA-N -1 3 283.334 1.190 20 10 CDCDHM NC(=O)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732273074 575085561 /nfs/dbraw/zinc/08/55/61/575085561.db2.gz VIFZSBDJNIDASE-UHFFFAOYSA-N -1 3 268.338 1.181 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000732277496 575086145 /nfs/dbraw/zinc/08/61/45/575086145.db2.gz JJODNAYTDXKJNM-SECBINFHSA-N -1 3 295.364 1.084 20 10 CDCDHM CC(C)(C)C(=O)NCCNC(=O)c1cc([O-])cs1 ZINC000732280532 575086606 /nfs/dbraw/zinc/08/66/06/575086606.db2.gz CXMXEHBHPTYCBE-UHFFFAOYSA-N -1 3 270.354 1.346 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000732289057 575087089 /nfs/dbraw/zinc/08/70/89/575087089.db2.gz KCHSRGOZQXIVOT-RYUDHWBXSA-N -1 3 296.392 1.125 20 10 CDCDHM CC(C)(C)OC(=O)CNC(=O)c1cc([O-])cs1 ZINC000734554953 575358463 /nfs/dbraw/zinc/35/84/63/575358463.db2.gz JLFVTLRBLOWLDL-UHFFFAOYSA-N -1 3 257.311 1.525 20 10 CDCDHM COc1cccc([O-])c1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000770303715 575437326 /nfs/dbraw/zinc/43/73/26/575437326.db2.gz IUCGKXKYANEMED-HZPDHXFCSA-N -1 3 293.363 1.781 20 10 CDCDHM CC(C)(CC(=O)[O-])[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000736311381 575619369 /nfs/dbraw/zinc/61/93/69/575619369.db2.gz SRTGRXJZIXXYBI-UHFFFAOYSA-N -1 3 267.281 1.464 20 10 CDCDHM CS[C@H](CO)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000769340431 576347409 /nfs/dbraw/zinc/34/74/09/576347409.db2.gz JVVUAWOPBUUOMA-HZGVNTEJSA-N -1 3 261.368 1.296 20 10 CDCDHM COC1CCN(CCNC(=O)c2cc([O-])cs2)CC1 ZINC000751069776 577025732 /nfs/dbraw/zinc/02/57/32/577025732.db2.gz KDOUVPUHSLVLCX-UHFFFAOYSA-N -1 3 284.381 1.294 20 10 CDCDHM C[C@]1(CO)C[C@H](O)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000895328904 619567899 /nfs/dbraw/zinc/56/78/99/619567899.db2.gz HLFXFETWLAVVRW-GXFFZTMASA-N -1 3 289.734 1.502 20 10 CDCDHM COCCCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605088794 1163448871 /nfs/dbraw/zinc/44/88/71/1163448871.db2.gz XZTMEXJTVXGCNQ-SNVBAGLBSA-N -1 3 291.355 1.650 20 10 CDCDHM C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774503 1165074908 /nfs/dbraw/zinc/07/49/08/1165074908.db2.gz VSXRDBKKLCSMJQ-QMMMGPOBSA-N -1 3 280.324 1.253 20 10 CDCDHM O=C([O-])[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001601807979 1175017185 /nfs/dbraw/zinc/01/71/85/1175017185.db2.gz JPLXZSCGAPGRBT-QWRGUYRKSA-N -1 3 253.273 1.874 20 10 CDCDHM Cc1ccc(CCNC(=O)c2cccc(O)c2[O-])cn1 ZINC000187085899 837398206 /nfs/dbraw/zinc/39/82/06/837398206.db2.gz HJMIQRCPNXVUHK-UHFFFAOYSA-N -1 3 272.304 1.774 20 10 CDCDHM C[C@H](Nc1cnn(CCO)c1)c1c([O-])cccc1F ZINC000886578285 835830807 /nfs/dbraw/zinc/83/08/07/835830807.db2.gz QUSJGKMDWJEEMF-VIFPVBQESA-N -1 3 265.288 1.893 20 10 CDCDHM COCC[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000839811518 836540437 /nfs/dbraw/zinc/54/04/37/836540437.db2.gz QJQSKBDIEPDWSO-SECBINFHSA-N -1 3 253.298 1.500 20 10 CDCDHM CNC(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877591124 836658755 /nfs/dbraw/zinc/65/87/55/836658755.db2.gz AAVNJLCRXSDXFB-UHFFFAOYSA-N -1 3 299.321 1.564 20 10 CDCDHM CON(C)C(=O)[C@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000883192405 836797902 /nfs/dbraw/zinc/79/79/02/836797902.db2.gz YTYAWQOESDWNMM-ZETCQYMHSA-N -1 3 274.267 1.168 20 10 CDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])cn(C)c1=O ZINC000790895343 837911233 /nfs/dbraw/zinc/91/12/33/837911233.db2.gz RGQMJLJXMSZOTK-UHFFFAOYSA-N -1 3 274.276 1.357 20 10 CDCDHM CN(C[C@@H](O)C(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000193152822 839169095 /nfs/dbraw/zinc/16/90/95/839169095.db2.gz ZHKAZTLAVFEMPR-MRVPVSSYSA-N -1 3 279.214 1.093 20 10 CDCDHM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000836971705 839178445 /nfs/dbraw/zinc/17/84/45/839178445.db2.gz NCIASORGRIEGCG-KOLCDFICSA-N -1 3 293.319 1.559 20 10 CDCDHM C[C@@H]1CN(Cc2ccc3ccccc3c2[O-])CC(=O)N1 ZINC000824909033 840011650 /nfs/dbraw/zinc/01/16/50/840011650.db2.gz HUPORUDJZPXTAR-LLVKDONJSA-N -1 3 270.332 1.866 20 10 CDCDHM CC1(CO)CN(Cc2c([O-])cccc2Br)C1 ZINC000862390052 840388102 /nfs/dbraw/zinc/38/81/02/840388102.db2.gz RBDFUWISXGTDMD-UHFFFAOYSA-N -1 3 286.169 1.969 20 10 CDCDHM Cn1cc(CNCc2ccc(Br)cc2[O-])nn1 ZINC000701078478 840748863 /nfs/dbraw/zinc/74/88/63/840748863.db2.gz QPRPKHHXALZBCV-UHFFFAOYSA-N -1 3 297.156 1.573 20 10 CDCDHM CON(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000858586810 841097661 /nfs/dbraw/zinc/09/76/61/841097661.db2.gz HEHGYYCQPNOJTB-JGVFFNPUSA-N -1 3 288.294 1.729 20 10 CDCDHM CC(C)OC(=O)CC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000792597050 841310637 /nfs/dbraw/zinc/31/06/37/841310637.db2.gz FLQGWYADFFAAHD-SNVBAGLBSA-N -1 3 295.335 1.948 20 10 CDCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000126266380 841876054 /nfs/dbraw/zinc/87/60/54/841876054.db2.gz WWOKRXFNYQNUEI-UHFFFAOYSA-N -1 3 251.282 1.349 20 10 CDCDHM COCCN(Cc1cc(Cl)ccc1[O-])[C@H](C)C(N)=O ZINC000093138142 841887753 /nfs/dbraw/zinc/88/77/53/841887753.db2.gz YDWJMUGXOHAUMZ-SECBINFHSA-N -1 3 286.759 1.368 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nnc2ccccn21 ZINC000188139200 842869632 /nfs/dbraw/zinc/86/96/32/842869632.db2.gz MXNNPZRQPZTUBT-VIFPVBQESA-N -1 3 298.302 1.632 20 10 CDCDHM N[C@]1(C(F)(F)F)CCN(Cc2c([O-])cccc2F)C1 ZINC001206222979 913046855 /nfs/dbraw/zinc/04/68/55/913046855.db2.gz RQCGCYTXXAVRQF-LLVKDONJSA-N -1 3 278.249 1.997 20 10 CDCDHM O=C1CN(Cc2c([O-])cccc2Cl)C[C@@H]2CCCN12 ZINC001140341401 895822759 /nfs/dbraw/zinc/82/27/59/895822759.db2.gz MMRRHZMMQRTDTR-JTQLQIEISA-N -1 3 280.755 1.852 20 10 CDCDHM CC(=O)N[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530346 908877870 /nfs/dbraw/zinc/87/78/70/908877870.db2.gz FEXCTPWULKVVNW-SNVBAGLBSA-N -1 3 270.279 1.381 20 10 CDCDHM O=C1O[C@H]2C[C@@H]1N(Cc1c([O-])cccc1Br)C2 ZINC001140103562 936679032 /nfs/dbraw/zinc/67/90/32/936679032.db2.gz PNQHOFFPPVNCEN-XVKPBYJWSA-N -1 3 298.136 1.654 20 10 CDCDHM CCCC[C@@H](NC(N)=O)C(=O)NCc1c([O-])cccc1F ZINC001156170144 927345808 /nfs/dbraw/zinc/34/58/08/927345808.db2.gz HSDCKTWYEXZFMI-LLVKDONJSA-N -1 3 297.330 1.375 20 10 CDCDHM Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)N2 ZINC001148219838 932669913 /nfs/dbraw/zinc/66/99/13/932669913.db2.gz AWJFZEYMHLHCBO-ZDUSSCGKSA-N -1 3 298.298 1.829 20 10 CDCDHM CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC001148219132 932670201 /nfs/dbraw/zinc/67/02/01/932670201.db2.gz UPBDOUCAISDRHG-UHFFFAOYSA-N -1 3 295.335 1.902 20 10 CDCDHM CC1(O)CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231447332 942895011 /nfs/dbraw/zinc/89/50/11/942895011.db2.gz RXNMILZFUNLBJK-UHFFFAOYSA-N -1 3 265.309 1.437 20 10 CDCDHM [O-]c1cc(O)c(CN2CCn3cncc3C2)cc1Cl ZINC001232262933 943194021 /nfs/dbraw/zinc/19/40/21/943194021.db2.gz WOBFSLSROQGXFX-UHFFFAOYSA-N -1 3 279.727 1.964 20 10 CDCDHM CCN1CCN(Cc2cc(Cl)c(OC)cc2[O-])CC1=O ZINC001232270079 943196718 /nfs/dbraw/zinc/19/67/18/943196718.db2.gz SIBNFKITTWKNLA-UHFFFAOYSA-N -1 3 298.770 1.718 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC001233076789 943485200 /nfs/dbraw/zinc/48/52/00/943485200.db2.gz VDWRATXWTBMETJ-RISCZKNCSA-N -1 3 287.306 1.236 20 10 CDCDHM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(C)C1 ZINC001234473561 943857506 /nfs/dbraw/zinc/85/75/06/943857506.db2.gz HWFJBIJYVKPDJI-SECBINFHSA-N -1 3 251.282 1.383 20 10 CDCDHM COc1cc([O-])c(CN(C)C2COC2)c(Cl)c1 ZINC001236804333 944573777 /nfs/dbraw/zinc/57/37/77/944573777.db2.gz TYPXUDQQMNTFQQ-UHFFFAOYSA-N -1 3 257.717 1.885 20 10 CDCDHM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001589440813 954710291 /nfs/dbraw/zinc/71/02/91/954710291.db2.gz AKTQXPZNSLVMBN-JQWIXIFHSA-N -1 3 281.308 1.113 20 10 CDCDHM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001589440813 954710298 /nfs/dbraw/zinc/71/02/98/954710298.db2.gz AKTQXPZNSLVMBN-JQWIXIFHSA-N -1 3 281.308 1.113 20 10 CDCDHM CCOc1ccc([O-])c([C@H]2NC(=O)CN2CC)c1 ZINC000189891282 358044600 /nfs/dbraw/zinc/04/46/00/358044600.db2.gz WTVNBFHICNBSKC-ZDUSSCGKSA-N -1 3 250.298 1.241 20 10 CDCDHM CCN1CCN(Cc2ccccc2[O-])C(C)(C)C1=O ZINC000190027190 358050212 /nfs/dbraw/zinc/05/02/12/358050212.db2.gz RIOUUGXVEUUDKE-UHFFFAOYSA-N -1 3 262.353 1.835 20 10 CDCDHM O=C1CCN(Cc2cc(Cl)ccc2[O-])CCN1 ZINC000093101645 360291105 /nfs/dbraw/zinc/29/11/05/360291105.db2.gz ZPHPXODZPGCPMB-UHFFFAOYSA-N -1 3 254.717 1.368 20 10 CDCDHM CN(Cc1ccccc1[O-])c1cn[nH]c(=O)c1Cl ZINC000170604946 364228101 /nfs/dbraw/zinc/22/81/01/364228101.db2.gz ABYHRWWPJCKLDZ-UHFFFAOYSA-N -1 3 265.700 1.765 20 10 CDCDHM CCN(C)S(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000271992132 365034964 /nfs/dbraw/zinc/03/49/64/365034964.db2.gz ZMMOYPHLQLXSJC-UHFFFAOYSA-N -1 3 264.734 1.654 20 10 CDCDHM CCOCCOC1CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272892185 365434757 /nfs/dbraw/zinc/43/47/57/365434757.db2.gz AVPRWMILMFWSKM-UHFFFAOYSA-N -1 3 295.335 1.284 20 10 CDCDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1O ZINC000270820448 367259670 /nfs/dbraw/zinc/25/96/70/367259670.db2.gz BEJBPDCUUKRDHQ-QMTHXVAHSA-N -1 3 281.327 1.937 20 10 CDCDHM CCc1nc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC000294785945 371091263 /nfs/dbraw/zinc/09/12/63/371091263.db2.gz AXFVDEATTWZQFG-ZCFIWIBFSA-N -1 3 294.286 1.408 20 10 CDCDHM COC[C@@]1(C)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000296356424 371723306 /nfs/dbraw/zinc/72/33/06/371723306.db2.gz FIGASQNEKHBLHY-HNNXBMFYSA-N -1 3 279.336 1.905 20 10 CDCDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccccc1[O-] ZINC000179577981 261799940 /nfs/dbraw/zinc/79/99/40/261799940.db2.gz DZNCMRCKHZVIPK-QWRGUYRKSA-N -1 3 269.366 1.400 20 10 CDCDHM CCCS(=O)(=O)CCN(C)Cc1ccccc1[O-] ZINC000109771151 390648138 /nfs/dbraw/zinc/64/81/38/390648138.db2.gz BDBDZUNBLDDUBJ-UHFFFAOYSA-N -1 3 271.382 1.649 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)CC(C)(C)O)c1[O-] ZINC000092970294 390898367 /nfs/dbraw/zinc/89/83/67/390898367.db2.gz DETKOQRPTLEELR-UHFFFAOYSA-N -1 3 269.316 1.937 20 10 CDCDHM Cc1ccc(C(=O)N2CCn3nccc32)c([O-])c1O ZINC000375957894 391208144 /nfs/dbraw/zinc/20/81/44/391208144.db2.gz OCWZBDSSSNGTHP-UHFFFAOYSA-N -1 3 259.265 1.263 20 10 CDCDHM Cc1ccc(C(=O)NCCCC(C)(C)CO)c([O-])c1O ZINC000179546864 391210209 /nfs/dbraw/zinc/21/02/09/391210209.db2.gz YPXZZZUGGODUSA-UHFFFAOYSA-N -1 3 281.352 1.935 20 10 CDCDHM Cc1nsc(N2CCN(Cc3ccccc3[O-])CC2)n1 ZINC000179580022 391212699 /nfs/dbraw/zinc/21/26/99/391212699.db2.gz PUVVWTIQOJTDRY-UHFFFAOYSA-N -1 3 290.392 1.874 20 10 CDCDHM CCCn1[n-]ccc1=NC(=O)CSc1nccs1 ZINC000193954178 391348282 /nfs/dbraw/zinc/34/82/82/391348282.db2.gz GTKYYBFZVJOSFF-NTEUORMPSA-N -1 3 282.394 1.902 20 10 CDCDHM C[C@@H]1CCN(Cc2ccccc2[O-])CCS1(=O)=O ZINC000192050391 287594770 /nfs/dbraw/zinc/59/47/70/287594770.db2.gz BDNUFHCUOHNMAU-LLVKDONJSA-N -1 3 269.366 1.401 20 10 CDCDHM C[C@@H](O)CC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000187124966 262382833 /nfs/dbraw/zinc/38/28/33/262382833.db2.gz FJFNKHMDKJZCEI-SECBINFHSA-N -1 3 267.325 1.625 20 10 CDCDHM C[C@H]1CC(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000368132752 267146665 /nfs/dbraw/zinc/14/66/65/267146665.db2.gz GVNLUFMFACPWSU-VIFPVBQESA-N -1 3 252.289 1.242 20 10 CDCDHM CCC(=O)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000378494816 329052818 /nfs/dbraw/zinc/05/28/18/329052818.db2.gz JZCRUFVHAMFRDR-UHFFFAOYSA-N -1 3 280.343 1.976 20 10 CDCDHM CN(C)S(=O)(=O)CCNCc1c([O-])cccc1Cl ZINC000230994747 329372896 /nfs/dbraw/zinc/37/28/96/329372896.db2.gz LOUVPZVWPVMRAC-UHFFFAOYSA-N -1 3 292.788 1.027 20 10 CDCDHM C[C@@H]1CN(Cc2ccccc2[O-])C[C@@H](C)S1(=O)=O ZINC000290762039 525015093 /nfs/dbraw/zinc/01/50/93/525015093.db2.gz BPNHSIVLDONTCE-GHMZBOCLSA-N -1 3 269.366 1.400 20 10 CDCDHM Cc1ccc(C(=O)N(C)CC2(O)CCOCC2)c([O-])c1O ZINC000275451558 526057450 /nfs/dbraw/zinc/05/74/50/526057450.db2.gz PFANAXFAVKXDHQ-UHFFFAOYSA-N -1 3 295.335 1.020 20 10 CDCDHM O=C(N[C@H](CO)CC1CCC1)c1cccc(O)c1[O-] ZINC000280307955 526995085 /nfs/dbraw/zinc/99/50/85/526995085.db2.gz SQYQJYQNPWGHBM-JTQLQIEISA-N -1 3 265.309 1.379 20 10 CDCDHM COC(=O)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731863787 575066011 /nfs/dbraw/zinc/06/60/11/575066011.db2.gz FAQIFADCKPUUCO-UHFFFAOYSA-N -1 3 269.322 1.479 20 10 CDCDHM C[C@@H]1CN(CCCNC(=O)c2cc([O-])cs2)C[C@@H](C)O1 ZINC000731867709 575068660 /nfs/dbraw/zinc/06/86/60/575068660.db2.gz QPFHIVFOMXEXCM-GHMZBOCLSA-N -1 3 298.408 1.683 20 10 CDCDHM COc1coc(COC(=O)c2cc([O-])cs2)cc1=O ZINC000761150477 576555109 /nfs/dbraw/zinc/55/51/09/576555109.db2.gz SKESSIIFAVPIQK-UHFFFAOYSA-N -1 3 282.273 1.773 20 10 CDCDHM O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000735523459 575476159 /nfs/dbraw/zinc/47/61/59/575476159.db2.gz WFJUKPZARDUXCG-SNVBAGLBSA-N -1 3 280.349 1.337 20 10 CDCDHM CCn1cc(CNC(=O)c2cc([O-])cs2)cn1 ZINC000736680843 575718647 /nfs/dbraw/zinc/71/86/47/575718647.db2.gz XSGHHSDWHYAMCM-UHFFFAOYSA-N -1 3 251.311 1.600 20 10 CDCDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])nc1 ZINC000768871059 576314947 /nfs/dbraw/zinc/31/49/47/576314947.db2.gz NAPFYYVGGBRGEG-UHFFFAOYSA-N -1 3 274.276 1.431 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000760178880 576464545 /nfs/dbraw/zinc/46/45/45/576464545.db2.gz YAPMSCNGZLZZQN-CBAPKCEASA-N -1 3 295.282 1.982 20 10 CDCDHM C[C@H](N[C@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638793 576998068 /nfs/dbraw/zinc/99/80/68/576998068.db2.gz RUNHNBRIRPJVMY-CABZTGNLSA-N -1 3 293.323 1.572 20 10 CDCDHM C[C@@H]1C[C@H](NCc2ncn(C)n2)c2c1c(F)ccc2[O-] ZINC000756778867 577004267 /nfs/dbraw/zinc/00/42/67/577004267.db2.gz GDHVJNQVMJLXDZ-SCZZXKLOSA-N -1 3 276.315 1.998 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCOCC2(CCOCC2)C1 ZINC000753521614 577175281 /nfs/dbraw/zinc/17/52/81/577175281.db2.gz VBROPEZZIMVMMD-UHFFFAOYSA-N -1 3 297.376 1.723 20 10 CDCDHM CCN(C)S(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901962687 618401630 /nfs/dbraw/zinc/40/16/30/618401630.db2.gz KDGVGCMROZGLAL-UHFFFAOYSA-N -1 3 282.724 1.793 20 10 CDCDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000897681054 621069223 /nfs/dbraw/zinc/06/92/23/621069223.db2.gz YIHRWUOVYXVULK-JMCQJSRRSA-N -1 3 259.708 1.997 20 10 CDCDHM C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778301 1165077788 /nfs/dbraw/zinc/07/77/88/1165077788.db2.gz GWMRDKOOJHWNIM-SECBINFHSA-N -1 3 292.335 1.267 20 10 CDCDHM O=C([O-])[C@H](CC(F)F)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601639032 1174921713 /nfs/dbraw/zinc/92/17/13/1174921713.db2.gz FFXYSZGUILAKGQ-QMMMGPOBSA-N -1 3 263.215 1.729 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC000126254481 844064269 /nfs/dbraw/zinc/06/42/69/844064269.db2.gz OEJKMMZKOUWRQC-SECBINFHSA-N -1 3 258.277 1.984 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCOC1 ZINC000389050858 844338322 /nfs/dbraw/zinc/33/83/22/844338322.db2.gz RXRWDWGNGHBUPP-UWVGGRQHSA-N -1 3 265.309 1.643 20 10 CDCDHM O=C(N[C@@H](CCO)C(F)(F)F)c1cccc(O)c1[O-] ZINC000854616250 844559922 /nfs/dbraw/zinc/55/99/22/844559922.db2.gz FJEQVHIWVUGOSF-QMMMGPOBSA-N -1 3 279.214 1.141 20 10 CDCDHM CN(Cc1nccn1C(F)F)C(=O)c1cccc(O)c1[O-] ZINC000188143441 843807666 /nfs/dbraw/zinc/80/76/66/843807666.db2.gz KOUUYSLVAUZUIK-UHFFFAOYSA-N -1 3 297.261 1.962 20 10 CDCDHM O=C(N[C@@H]1CCC[C@]12CCCO2)c1cccc(O)c1[O-] ZINC000882600195 844831301 /nfs/dbraw/zinc/83/13/01/844831301.db2.gz GOPMTNNQCZGKOW-DOMZBBRYSA-N -1 3 277.320 1.929 20 10 CDCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877764948 845714306 /nfs/dbraw/zinc/71/43/06/845714306.db2.gz PCKQLNYRGBAXHR-AOOOYVTPSA-N -1 3 289.734 1.217 20 10 CDCDHM CC(C)(CO)[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000848247599 845846870 /nfs/dbraw/zinc/84/68/70/845846870.db2.gz OOEHROQSMQSNCF-ZDUSSCGKSA-N -1 3 279.336 1.625 20 10 CDCDHM O=C(N[C@@H](CCO)c1ccccc1)c1cccc(O)c1[O-] ZINC000776353744 845900379 /nfs/dbraw/zinc/90/03/79/845900379.db2.gz BVPPXXPTWIBVOK-ZDUSSCGKSA-N -1 3 287.315 1.951 20 10 CDCDHM CC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000131776360 846327205 /nfs/dbraw/zinc/32/72/05/846327205.db2.gz NLINKKBGBRJMNG-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC1CCCC1 ZINC000790857691 846335716 /nfs/dbraw/zinc/33/57/16/846335716.db2.gz NWXJCTYQSCEIMQ-VIFPVBQESA-N -1 3 293.319 1.702 20 10 CDCDHM CC(=O)NCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000226307264 847042852 /nfs/dbraw/zinc/04/28/52/847042852.db2.gz BICRJSSZUDBXEJ-UHFFFAOYSA-N -1 3 292.335 1.086 20 10 CDCDHM COC[C@@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000793324148 847075267 /nfs/dbraw/zinc/07/52/67/847075267.db2.gz IJAUYOHZCXPFOT-SSDOTTSWSA-N -1 3 263.696 1.282 20 10 CDCDHM CCN(CCS(C)(=O)=O)Cc1cc(Cl)ccc1[O-] ZINC000093816034 847482061 /nfs/dbraw/zinc/48/20/61/847482061.db2.gz JPOVSHGFZSLZSN-UHFFFAOYSA-N -1 3 291.800 1.912 20 10 CDCDHM Cc1ccc(C(=O)NOCC(F)(F)F)c([O-])c1O ZINC000780983291 847627202 /nfs/dbraw/zinc/62/72/02/847627202.db2.gz LNZASNZQIALFBT-UHFFFAOYSA-N -1 3 265.187 1.630 20 10 CDCDHM Cn1cnnc1CNCc1cc(Cl)ccc1[O-] ZINC000038007571 847809650 /nfs/dbraw/zinc/80/96/50/847809650.db2.gz UJODENYAVCMRTN-UHFFFAOYSA-N -1 3 252.705 1.464 20 10 CDCDHM C[C@@H](Cc1ccncc1)NC(=O)c1cccc(O)c1[O-] ZINC000790864137 847908145 /nfs/dbraw/zinc/90/81/45/847908145.db2.gz KWHBUMSNRDKBRO-JTQLQIEISA-N -1 3 272.304 1.854 20 10 CDCDHM [O-]c1c(F)c(F)ccc1CN1CCc2nccn2CC1 ZINC001233078388 912711708 /nfs/dbraw/zinc/71/17/08/912711708.db2.gz UNYZJZUNZBNWNJ-UHFFFAOYSA-N -1 3 279.290 1.925 20 10 CDCDHM [O-]c1cccc(F)c1CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001137833127 936417737 /nfs/dbraw/zinc/41/77/37/936417737.db2.gz UINZNTNHYBXESB-SKDRFNHKSA-N -1 3 273.254 1.997 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN(c2ccncn2)CC1 ZINC001138129518 936475310 /nfs/dbraw/zinc/47/53/10/936475310.db2.gz ILWBMHYUHFTBQO-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM COC(=O)[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139683271 936635286 /nfs/dbraw/zinc/63/52/86/936635286.db2.gz JZDXQPBWXFALED-MRVPVSSYSA-N -1 3 271.263 1.665 20 10 CDCDHM Cn1ncc2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC001140058479 936674800 /nfs/dbraw/zinc/67/48/00/936674800.db2.gz CFYNKHNSVGQWTK-UHFFFAOYSA-N -1 3 261.300 1.823 20 10 CDCDHM O=C1CCN(Cc2cc(F)ccc2[O-])CC1(F)F ZINC001140055287 936674612 /nfs/dbraw/zinc/67/46/12/936674612.db2.gz QGEGTARXSITYNU-UHFFFAOYSA-N -1 3 259.227 1.941 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CC(N2CCOCC2)C1 ZINC001140345652 936704600 /nfs/dbraw/zinc/70/46/00/936704600.db2.gz XGRDNHKRNPDOEU-UHFFFAOYSA-N -1 3 282.771 1.562 20 10 CDCDHM CN1CCC[C@H](NC(=O)c2cc(O)c([O-])c(Cl)c2)C1 ZINC001193625899 923815567 /nfs/dbraw/zinc/81/55/67/923815567.db2.gz OOWHFXDVAMGHHT-VIFPVBQESA-N -1 3 284.743 1.575 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(C(F)(F)F)C1 ZINC001117756055 937549358 /nfs/dbraw/zinc/54/93/58/937549358.db2.gz BPUHORRCDLOLSJ-UHFFFAOYSA-N -1 3 261.199 1.732 20 10 CDCDHM COC[C@@H]1CCCCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582540 932751703 /nfs/dbraw/zinc/75/17/03/932751703.db2.gz KFXZSSLAINIQIO-JTQLQIEISA-N -1 3 281.308 1.445 20 10 CDCDHM O=C(NCCO[C@H]1CCCCO1)c1cc(O)c([O-])c(O)c1 ZINC001148590054 932754551 /nfs/dbraw/zinc/75/45/51/932754551.db2.gz AFJKHBCFEWJMFO-LBPRGKRZSA-N -1 3 297.307 1.076 20 10 CDCDHM CN(CCOCCO)Cc1c([O-])ccc(Cl)c1F ZINC000800546373 935911312 /nfs/dbraw/zinc/91/13/12/935911312.db2.gz NDLAESYDFMRRMY-UHFFFAOYSA-N -1 3 277.723 1.625 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1C[C@@H](O)[C@@H](F)C1 ZINC001203636249 939699057 /nfs/dbraw/zinc/69/90/57/939699057.db2.gz RDHUTLUBKAUEOG-GXSJLCMTSA-N -1 3 290.132 1.669 20 10 CDCDHM NC(=O)c1[nH]nc2c1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001277456827 942623418 /nfs/dbraw/zinc/62/34/18/942623418.db2.gz CUCGKFJODPCSAS-UHFFFAOYSA-N -1 3 292.726 1.383 20 10 CDCDHM CN1CCC[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231454289 942898265 /nfs/dbraw/zinc/89/82/65/942898265.db2.gz PKKYFEHSPRLIAD-TZMCWYRMSA-N -1 3 290.363 1.616 20 10 CDCDHM CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231454289 942898266 /nfs/dbraw/zinc/89/82/66/942898266.db2.gz PKKYFEHSPRLIAD-TZMCWYRMSA-N -1 3 290.363 1.616 20 10 CDCDHM CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455697 942898413 /nfs/dbraw/zinc/89/84/13/942898413.db2.gz UDTDYKQQZVXJGL-LBPRGKRZSA-N -1 3 292.335 1.143 20 10 CDCDHM CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455697 942898419 /nfs/dbraw/zinc/89/84/19/942898419.db2.gz UDTDYKQQZVXJGL-LBPRGKRZSA-N -1 3 292.335 1.143 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001231566304 942932411 /nfs/dbraw/zinc/93/24/11/942932411.db2.gz XCTUTFYXJIIBNS-BXUZGUMPSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001231566304 942932415 /nfs/dbraw/zinc/93/24/15/942932415.db2.gz XCTUTFYXJIIBNS-BXUZGUMPSA-N -1 3 277.320 1.701 20 10 CDCDHM COc1cc([O-])c(CN2CC(OC)C2)cc1Cl ZINC001232265695 943194058 /nfs/dbraw/zinc/19/40/58/943194058.db2.gz OTKSAJIMUOIEIW-UHFFFAOYSA-N -1 3 257.717 1.885 20 10 CDCDHM COc1cc([O-])c(CN2CCO[C@@H](CO)C2)cc1Cl ZINC001232264061 943194631 /nfs/dbraw/zinc/19/46/31/943194631.db2.gz CYAMRGBOWBKRQW-SNVBAGLBSA-N -1 3 287.743 1.247 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](O)[C@@H](F)CC1 ZINC001233332526 943546691 /nfs/dbraw/zinc/54/66/91/943546691.db2.gz ODDFPSLHBFCUEA-CABZTGNLSA-N -1 3 275.270 1.965 20 10 CDCDHM C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593198301 994169795 /nfs/dbraw/zinc/16/97/95/994169795.db2.gz PYLJOFDCPMVUHA-NXEZZACHSA-N -1 3 279.336 1.902 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(CCO)C2CC2)c1[O-] ZINC000050158191 357231282 /nfs/dbraw/zinc/23/12/82/357231282.db2.gz ARHLTTGSQNQFIL-UHFFFAOYSA-N -1 3 267.300 1.691 20 10 CDCDHM O=C1NCCCC[C@H]1NCc1cccc(Cl)c1[O-] ZINC000124697066 360391621 /nfs/dbraw/zinc/39/16/21/360391621.db2.gz KWIYSYOKMSDLHF-LLVKDONJSA-N -1 3 268.744 1.804 20 10 CDCDHM O=C(c1c([O-])c(O)ccc1F)N1CCN(C2CCC2)CC1 ZINC000294767897 371089924 /nfs/dbraw/zinc/08/99/24/371089924.db2.gz BQDLKJYNSHGWRZ-UHFFFAOYSA-N -1 3 294.326 1.547 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](O)C1 ZINC000128073802 375101835 /nfs/dbraw/zinc/10/18/35/375101835.db2.gz GTIJTWJQFYIIJE-SNVBAGLBSA-N -1 3 272.142 1.721 20 10 CDCDHM O=C(NCc1c(O)ccc2c1CCCC2)c1c[n-]nn1 ZINC000174519571 391123787 /nfs/dbraw/zinc/12/37/87/391123787.db2.gz WOFBYWFAJWLPIT-UHFFFAOYSA-N -1 3 272.308 1.319 20 10 CDCDHM O=C(NCc1c(O)ccc2c1CCCC2)c1cnn[n-]1 ZINC000174519571 391123788 /nfs/dbraw/zinc/12/37/88/391123788.db2.gz WOFBYWFAJWLPIT-UHFFFAOYSA-N -1 3 272.308 1.319 20 10 CDCDHM O=C(NCc1c(O)ccc2c1CCCC2)c1cn[n-]n1 ZINC000174519571 391123792 /nfs/dbraw/zinc/12/37/92/391123792.db2.gz WOFBYWFAJWLPIT-UHFFFAOYSA-N -1 3 272.308 1.319 20 10 CDCDHM Cc1ccc(C(=O)N(C)Cc2cnn(C)c2)c([O-])c1O ZINC000177667180 391173970 /nfs/dbraw/zinc/17/39/70/391173970.db2.gz GJFAXTAWDUXHFY-UHFFFAOYSA-N -1 3 275.308 1.412 20 10 CDCDHM COC(=O)CN(CCO)Cc1cc(Cl)ccc1[O-] ZINC000177716944 391175695 /nfs/dbraw/zinc/17/56/95/391175695.db2.gz GNBWRZLNNVHYAP-UHFFFAOYSA-N -1 3 273.716 1.013 20 10 CDCDHM Cc1ccc(C(=O)NCCCc2cnn(C)c2)c([O-])c1O ZINC000179473487 391207575 /nfs/dbraw/zinc/20/75/75/391207575.db2.gz DBHBJWWJBPQUSX-UHFFFAOYSA-N -1 3 289.335 1.502 20 10 CDCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1c[n-]nn1 ZINC000352119653 228185521 /nfs/dbraw/zinc/18/55/21/228185521.db2.gz FYHZBZOJEJFOGB-UHFFFAOYSA-N -1 3 269.308 1.535 20 10 CDCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cnn[n-]1 ZINC000352119653 228185522 /nfs/dbraw/zinc/18/55/22/228185522.db2.gz FYHZBZOJEJFOGB-UHFFFAOYSA-N -1 3 269.308 1.535 20 10 CDCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cn[n-]n1 ZINC000352119653 228185523 /nfs/dbraw/zinc/18/55/23/228185523.db2.gz FYHZBZOJEJFOGB-UHFFFAOYSA-N -1 3 269.308 1.535 20 10 CDCDHM C[C@H]1CC(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000368594221 267190369 /nfs/dbraw/zinc/19/03/69/267190369.db2.gz RTBMJFSHZAUKGO-VIFPVBQESA-N -1 3 268.744 1.756 20 10 CDCDHM NC(=O)NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142509040 1160688894 /nfs/dbraw/zinc/68/88/94/1160688894.db2.gz UXLVILKIFZTWFH-UHFFFAOYSA-N -1 3 285.294 1.303 20 10 CDCDHM CCN(CCOC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272894855 521131891 /nfs/dbraw/zinc/13/18/91/521131891.db2.gz ZTGPUBWOOPLSNB-UHFFFAOYSA-N -1 3 253.298 1.515 20 10 CDCDHM CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2[O-])[C@H]1OC ZINC000275230514 520421926 /nfs/dbraw/zinc/42/19/26/520421926.db2.gz FCIZAKONGVMFPA-MISXGVKJSA-N -1 3 295.335 1.328 20 10 CDCDHM COC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000126252755 523922214 /nfs/dbraw/zinc/92/22/14/523922214.db2.gz DTDKYFOFJHEHFQ-SNVBAGLBSA-N -1 3 267.281 1.025 20 10 CDCDHM C[C@@H](NCC(=O)NCC(F)F)c1ccc(F)cc1[O-] ZINC000281026035 525409619 /nfs/dbraw/zinc/40/96/19/525409619.db2.gz ZVQHKVPRDQGCFX-SSDOTTSWSA-N -1 3 276.258 1.563 20 10 CDCDHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000731871230 575067227 /nfs/dbraw/zinc/06/72/27/575067227.db2.gz HEUKJROZJIGEQT-SFYZADRCSA-N -1 3 270.354 1.487 20 10 CDCDHM O=C(NCc1ccccc1O)c1nnc2ccccc2c1[O-] ZINC000731872809 575067648 /nfs/dbraw/zinc/06/76/48/575067648.db2.gz RLXOMHYPTDHASX-UHFFFAOYSA-N -1 3 295.298 1.971 20 10 CDCDHM CN(CCN1CCCC1=O)C(=O)c1cc([O-])cs1 ZINC000733000884 575099988 /nfs/dbraw/zinc/09/99/88/575099988.db2.gz FVMQNURKBYKRQB-UHFFFAOYSA-N -1 3 268.338 1.148 20 10 CDCDHM CC(C)(C)S(=O)(=O)CCNC(=O)c1cc([O-])cs1 ZINC000733364508 575117188 /nfs/dbraw/zinc/11/71/88/575117188.db2.gz VYFPAFYLISUSEJ-UHFFFAOYSA-N -1 3 291.394 1.397 20 10 CDCDHM CCOc1ccc(CN2CC[C@@](F)(C(=O)OC)C2)c([O-])c1 ZINC000769564281 575360242 /nfs/dbraw/zinc/36/02/42/575360242.db2.gz OORFSKUTRUHJFF-HNNXBMFYSA-N -1 3 297.326 1.878 20 10 CDCDHM CC[N@H+](CC(=O)[O-])Cc1cc2c(cc1[O-])OCO2 ZINC000737076267 575812012 /nfs/dbraw/zinc/81/20/12/575812012.db2.gz XKFIZBKDVSDYCQ-UHFFFAOYSA-N -1 3 253.254 1.027 20 10 CDCDHM CC[N@@H+](CC(=O)[O-])Cc1cc2c(cc1[O-])OCO2 ZINC000737076267 575812015 /nfs/dbraw/zinc/81/20/15/575812015.db2.gz XKFIZBKDVSDYCQ-UHFFFAOYSA-N -1 3 253.254 1.027 20 10 CDCDHM Cc1noc(C2CN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000765657055 576048199 /nfs/dbraw/zinc/04/81/99/576048199.db2.gz URLJSWQUQNJCRL-UHFFFAOYSA-N -1 3 275.264 1.029 20 10 CDCDHM CCOC(=O)CN(C)Cc1ccc(OCC)cc1[O-] ZINC000768247524 576266492 /nfs/dbraw/zinc/26/64/92/576266492.db2.gz VVYOHXXCEYIGPE-UHFFFAOYSA-N -1 3 267.325 1.786 20 10 CDCDHM C[C@H]1COCCN1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441773 576283507 /nfs/dbraw/zinc/28/35/07/576283507.db2.gz MTTNUNLZFXSHPF-ZANVPECISA-N -1 3 265.309 1.039 20 10 CDCDHM CCC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768465657 576287144 /nfs/dbraw/zinc/28/71/44/576287144.db2.gz OPNIUDIDXUCFMJ-IUODEOHRSA-N -1 3 293.363 1.819 20 10 CDCDHM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cccc(O)c1[O-] ZINC000760609185 576496645 /nfs/dbraw/zinc/49/66/45/576496645.db2.gz JJSOYUZVVTYFHH-SNVBAGLBSA-N -1 3 285.299 1.701 20 10 CDCDHM CCNC(=O)CN(C)Cc1c([O-])ccc2ccncc21 ZINC000747074462 576857888 /nfs/dbraw/zinc/85/78/88/576857888.db2.gz RRSGXFGXSOSPNO-UHFFFAOYSA-N -1 3 273.336 1.508 20 10 CDCDHM NC(=O)c1ccc(CNCc2c([O-])cccc2Cl)cn1 ZINC000754046587 576875481 /nfs/dbraw/zinc/87/54/81/576875481.db2.gz HMDWXRYTHSPMPS-UHFFFAOYSA-N -1 3 291.738 1.829 20 10 CDCDHM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc([O-])cs1 ZINC000754046072 576875532 /nfs/dbraw/zinc/87/55/32/576875532.db2.gz OLJPBQYPBDCGGS-PSASIEDQSA-N -1 3 271.338 1.378 20 10 CDCDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCC(=O)[O-] ZINC000829496540 604770250 /nfs/dbraw/zinc/77/02/50/604770250.db2.gz HCHCECUWCHIAFP-LLVKDONJSA-N -1 3 294.351 1.194 20 10 CDCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCC(=O)[O-] ZINC000829496540 604770253 /nfs/dbraw/zinc/77/02/53/604770253.db2.gz HCHCECUWCHIAFP-LLVKDONJSA-N -1 3 294.351 1.194 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H]2CO)c1[O-] ZINC000934024445 617844858 /nfs/dbraw/zinc/84/48/58/617844858.db2.gz CYEFRPMHHDRGLM-LLVKDONJSA-N -1 3 253.273 1.301 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCN2CCOC[C@@H]2C1 ZINC000894456493 618894968 /nfs/dbraw/zinc/89/49/68/618894968.db2.gz RMFZYJGRYQQWME-LBPRGKRZSA-N -1 3 284.306 1.187 20 10 CDCDHM C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604363586 1163164467 /nfs/dbraw/zinc/16/44/67/1163164467.db2.gz JVTMNFZEJOKLAW-QXEWZRGKSA-N -1 3 265.309 1.512 20 10 CDCDHM Cc1ccc(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(O)c1 ZINC001607780589 1164292942 /nfs/dbraw/zinc/29/29/42/1164292942.db2.gz KJMSNIZPQJADSW-HNNXBMFYSA-N -1 3 290.319 1.506 20 10 CDCDHM C[C@H]([NH2+][C@H]1C=CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952015 1173209628 /nfs/dbraw/zinc/20/96/28/1173209628.db2.gz MYMNYXYZPVEEHV-UWVGGRQHSA-N -1 3 271.324 1.942 20 10 CDCDHM CCOCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590813294 1173520173 /nfs/dbraw/zinc/52/01/73/1173520173.db2.gz LGYGXLBVZBXKDH-VIFPVBQESA-N -1 3 277.328 1.259 20 10 CDCDHM NC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000160328783 1178395749 /nfs/dbraw/zinc/39/57/49/1178395749.db2.gz FVEOKJPEUQWMNE-JTQLQIEISA-N -1 3 254.717 1.495 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827120148 697708160 /nfs/dbraw/zinc/70/81/60/697708160.db2.gz QBGGFZXFXCJPMZ-CYBMUJFWSA-N -1 3 280.343 1.438 20 10 CDCDHM O=C(NCc1ccc(F)cn1)c1cccc(O)c1[O-] ZINC000790892146 697723251 /nfs/dbraw/zinc/72/32/51/697723251.db2.gz VJNFDUKKNZUWSB-UHFFFAOYSA-N -1 3 262.240 1.562 20 10 CDCDHM CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761446 697995849 /nfs/dbraw/zinc/99/58/49/697995849.db2.gz SNVQONFAZFYIKE-HZMBPMFUSA-N -1 3 298.770 1.117 20 10 CDCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])c(=O)n(C)c1 ZINC000780983772 698291569 /nfs/dbraw/zinc/29/15/69/698291569.db2.gz PVQGOOXMPNPRCR-UHFFFAOYSA-N -1 3 288.303 1.666 20 10 CDCDHM COCCNC(=O)C1(N[C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886625302 698316751 /nfs/dbraw/zinc/31/67/51/698316751.db2.gz NDMMMGQBEZRNEN-JTQLQIEISA-N -1 3 296.342 1.477 20 10 CDCDHM CC(=O)NCCN(C)Cc1cc(F)cc(F)c1[O-] ZINC000708414316 698801383 /nfs/dbraw/zinc/80/13/83/698801383.db2.gz QRSJPPCWNVNOSU-UHFFFAOYSA-N -1 3 258.268 1.238 20 10 CDCDHM COCC1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000839143507 848174024 /nfs/dbraw/zinc/17/40/24/848174024.db2.gz NTCMQKSCJQAZJD-UHFFFAOYSA-N -1 3 296.323 1.777 20 10 CDCDHM COC(=O)[C@H](CC1CC1)NC(=O)c1cccc(O)c1[O-] ZINC000839814246 848541803 /nfs/dbraw/zinc/54/18/03/848541803.db2.gz KOHMDSHWCTZBBY-JTQLQIEISA-N -1 3 279.292 1.169 20 10 CDCDHM Cn1nnc(CNCc2ccc3ccccc3c2[O-])n1 ZINC000816593818 848658314 /nfs/dbraw/zinc/65/83/14/848658314.db2.gz FVBQEAKHHZENOS-UHFFFAOYSA-N -1 3 269.308 1.359 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@H](CO)OC[C@@H]2C)c1[O-] ZINC000129270807 849004944 /nfs/dbraw/zinc/00/49/44/849004944.db2.gz ZIQSRVGNASVLMZ-TVQRCGJNSA-N -1 3 297.326 1.316 20 10 CDCDHM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)C(=O)NCCF ZINC000886606639 849134487 /nfs/dbraw/zinc/13/44/87/849134487.db2.gz CMIWQQGQTYUWJP-DTWKUNHWSA-N -1 3 272.295 1.656 20 10 CDCDHM CN(CC1(O)CCC1)C(=O)c1cccc(O)c1[O-] ZINC000790933452 849288115 /nfs/dbraw/zinc/28/81/15/849288115.db2.gz ROIFCWDGNUTDEY-UHFFFAOYSA-N -1 3 251.282 1.085 20 10 CDCDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000126398439 849767257 /nfs/dbraw/zinc/76/72/57/849767257.db2.gz RLKJWTVQKBIZHG-UHFFFAOYSA-N -1 3 274.276 1.431 20 10 CDCDHM COC(=O)[C@H]1COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824790603 849842165 /nfs/dbraw/zinc/84/21/65/849842165.db2.gz ZQITYFZSNMRLKX-GFCCVEGCSA-N -1 3 299.754 1.728 20 10 CDCDHM CN(CCc1ccccn1)C(=O)c1cccc(O)c1[O-] ZINC000126235203 849970723 /nfs/dbraw/zinc/97/07/23/849970723.db2.gz YQJXSKZHJXZAOJ-UHFFFAOYSA-N -1 3 272.304 1.808 20 10 CDCDHM C[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C[C@H]1O ZINC001142508782 908831484 /nfs/dbraw/zinc/83/14/84/908831484.db2.gz LJJQTNLSFZHLGT-AMIZOPFISA-N -1 3 257.280 1.873 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2c([O-])cc(F)cc2F)C[C@@H]1O ZINC001140583156 936727906 /nfs/dbraw/zinc/72/79/06/936727906.db2.gz XKAFKRJSAIWFGM-KBPBESRZSA-N -1 3 287.306 1.236 20 10 CDCDHM COC(=O)N1CCCN(Cc2c([O-])cccc2F)CC1 ZINC001137833100 922547619 /nfs/dbraw/zinc/54/76/19/922547619.db2.gz SNTQOYMIBQIJTM-UHFFFAOYSA-N -1 3 282.315 1.805 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC2(CC(O)C2)C1 ZINC001142508841 937025225 /nfs/dbraw/zinc/02/52/25/937025225.db2.gz NQHFUCHJMLSJES-UHFFFAOYSA-N -1 3 255.264 1.627 20 10 CDCDHM CNC(=O)N[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530244 937028215 /nfs/dbraw/zinc/02/82/15/937028215.db2.gz AUEJMHAWHGHPCV-JTQLQIEISA-N -1 3 299.321 1.564 20 10 CDCDHM Cc1ccc2c(n[nH]c2NC(=O)c2cccc(O)c2[O-])n1 ZINC001148212918 932668599 /nfs/dbraw/zinc/66/85/99/932668599.db2.gz OKDYJQJISKWZEU-UHFFFAOYSA-N -1 3 284.275 1.930 20 10 CDCDHM CSCC[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)O ZINC001148220013 932671305 /nfs/dbraw/zinc/67/13/05/932671305.db2.gz KRRZBAKHKLRUTB-LLVKDONJSA-N -1 3 299.392 1.720 20 10 CDCDHM O=C(NC1(C(F)(F)F)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148591359 932754351 /nfs/dbraw/zinc/75/43/51/932754351.db2.gz YNFYGVALAUGSEY-UHFFFAOYSA-N -1 3 277.198 1.628 20 10 CDCDHM COC(=O)NC1CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001118640713 937649818 /nfs/dbraw/zinc/64/98/18/937649818.db2.gz PAADRZADFONDAL-UHFFFAOYSA-N -1 3 284.743 1.894 20 10 CDCDHM O=C(NCc1c(O)cccc1O)c1cccc(O)c1[O-] ZINC001156885636 938428901 /nfs/dbraw/zinc/42/89/01/938428901.db2.gz LGGMVYUKNXBSFY-UHFFFAOYSA-N -1 3 275.260 1.439 20 10 CDCDHM N[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCC1(F)F ZINC001206674000 938769379 /nfs/dbraw/zinc/76/93/79/938769379.db2.gz CFEZWZLLWVDMLP-NSHDSACASA-N -1 3 292.713 1.920 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c([O-])c1 ZINC001231452935 942896808 /nfs/dbraw/zinc/89/68/08/942896808.db2.gz HWMYNKVVLUXYTB-DGCLKSJQSA-N -1 3 289.331 1.891 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c([O-])c1 ZINC001231452935 942896813 /nfs/dbraw/zinc/89/68/13/942896813.db2.gz HWMYNKVVLUXYTB-DGCLKSJQSA-N -1 3 289.331 1.891 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCc3nccn3CC2)c([O-])c1 ZINC001231455603 942898771 /nfs/dbraw/zinc/89/87/71/942898771.db2.gz RLIXGVPISIZTGM-UHFFFAOYSA-N -1 3 287.319 1.345 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCc3nccn3CC2)c([O-])c1 ZINC001231455603 942898774 /nfs/dbraw/zinc/89/87/74/942898774.db2.gz RLIXGVPISIZTGM-UHFFFAOYSA-N -1 3 287.319 1.345 20 10 CDCDHM COc1cc([O-])c(CN2CCO[C@H](CO)C2)cc1Cl ZINC001232264060 943195158 /nfs/dbraw/zinc/19/51/58/943195158.db2.gz CYAMRGBOWBKRQW-JTQLQIEISA-N -1 3 287.743 1.247 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCc2nncn2CC1 ZINC001233332294 943545418 /nfs/dbraw/zinc/54/54/18/943545418.db2.gz GJIPNOLTVUJYHE-UHFFFAOYSA-N -1 3 280.278 1.320 20 10 CDCDHM C[C@]1(CO)CN(Cc2c([O-])ccc(F)c2F)CC[C@H]1O ZINC001233332805 943545787 /nfs/dbraw/zinc/54/57/87/943545787.db2.gz YACCPBARVLAEHE-TZMCWYRMSA-N -1 3 287.306 1.236 20 10 CDCDHM O=C1NCC2(CCN(Cc3c([O-])ccc(F)c3F)CC2)N1 ZINC001233335672 943549227 /nfs/dbraw/zinc/54/92/27/943549227.db2.gz GMEAPWKOISAQGX-UHFFFAOYSA-N -1 3 297.305 1.318 20 10 CDCDHM COc1ccc2ccc([O-])c(CN3CC(=O)C3)c2c1 ZINC001234552943 943891475 /nfs/dbraw/zinc/89/14/75/943891475.db2.gz PVTXFEHVEGKTKI-UHFFFAOYSA-N -1 3 257.289 1.939 20 10 CDCDHM COC(=O)C1CN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236799001 944571663 /nfs/dbraw/zinc/57/16/63/944571663.db2.gz QRBDIJPZCODGDG-UHFFFAOYSA-N -1 3 285.727 1.659 20 10 CDCDHM COc1ccc(CN2CC[C@H](NC(C)=O)C2)c([O-])c1Cl ZINC001236806557 944572537 /nfs/dbraw/zinc/57/25/37/944572537.db2.gz BSGHRNUJTAIOPQ-NSHDSACASA-N -1 3 298.770 1.765 20 10 CDCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H](O)[C@H](CO)C1 ZINC001237935179 945010875 /nfs/dbraw/zinc/01/08/75/945010875.db2.gz RAOLDPFPELUUKD-CABZTGNLSA-N -1 3 289.734 1.360 20 10 CDCDHM O=C([O-])[C@@H](Cc1ccncc1)[NH2+]Cc1ccccc1[O-] ZINC001594840607 954073460 /nfs/dbraw/zinc/07/34/60/954073460.db2.gz CUGANIBMKAPZCN-CYBMUJFWSA-N -1 3 272.304 1.573 20 10 CDCDHM COCCn1cc(CNCc2cc(F)cc(F)c2[O-])cn1 ZINC001330839646 956660025 /nfs/dbraw/zinc/66/00/25/956660025.db2.gz DAPYQMXLPXCPKZ-UHFFFAOYSA-N -1 3 297.305 1.803 20 10 CDCDHM C[C@](CCF)([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001592505362 978314472 /nfs/dbraw/zinc/31/44/72/978314472.db2.gz AQLUERKCQQCEFL-GFCCVEGCSA-N -1 3 259.252 1.824 20 10 CDCDHM CCOc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)c([O-])c1 ZINC001597102077 986724960 /nfs/dbraw/zinc/72/49/60/986724960.db2.gz MVLVPIBVELJFNM-NEPJUHHUSA-N -1 3 295.335 1.058 20 10 CDCDHM CCOc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)c([O-])c1 ZINC001597102077 986724968 /nfs/dbraw/zinc/72/49/68/986724968.db2.gz MVLVPIBVELJFNM-NEPJUHHUSA-N -1 3 295.335 1.058 20 10 CDCDHM C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246819 994458989 /nfs/dbraw/zinc/45/89/89/994458989.db2.gz CRXAFZKHPHUGRL-VFZGTOFNSA-N -1 3 292.335 1.410 20 10 CDCDHM C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593360529 995024152 /nfs/dbraw/zinc/02/41/52/995024152.db2.gz SURDIQCBWLYLGC-UJNFCWOMSA-N -1 3 251.282 1.264 20 10 CDCDHM COC1([C@@H](C(=O)[O-])[N@H+](C)Cc2ccccc2[O-])CCC1 ZINC001599080723 996992771 /nfs/dbraw/zinc/99/27/71/996992771.db2.gz HLHMGDIXEQLVSQ-CYBMUJFWSA-N -1 3 279.336 1.846 20 10 CDCDHM COC1([C@@H](C(=O)[O-])[N@@H+](C)Cc2ccccc2[O-])CCC1 ZINC001599080723 996992785 /nfs/dbraw/zinc/99/27/85/996992785.db2.gz HLHMGDIXEQLVSQ-CYBMUJFWSA-N -1 3 279.336 1.846 20 10 CDCDHM C[C@@H](CCO)CCNC(=O)c1cccc(O)c1[O-] ZINC000295316533 199455430 /nfs/dbraw/zinc/45/54/30/199455430.db2.gz GHASBHNYNUMTNH-SECBINFHSA-N -1 3 253.298 1.236 20 10 CDCDHM CC1(C)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000299081624 356970550 /nfs/dbraw/zinc/97/05/50/356970550.db2.gz JSDFHVJSAUQVTD-LLVKDONJSA-N -1 3 298.364 1.292 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1CC[C@H](O)C1 ZINC000128149657 357545268 /nfs/dbraw/zinc/54/52/68/357545268.db2.gz GTIJTWJQFYIIJE-JTQLQIEISA-N -1 3 272.142 1.721 20 10 CDCDHM Cc1noc(C)c1CCNC(=O)c1cccc(O)c1[O-] ZINC000188440542 357897553 /nfs/dbraw/zinc/89/75/53/357897553.db2.gz WRRXHLACQPYRHR-UHFFFAOYSA-N -1 3 276.292 1.675 20 10 CDCDHM CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000191639591 358142944 /nfs/dbraw/zinc/14/29/44/358142944.db2.gz WWKFNJOZXSLOFX-SECBINFHSA-N -1 3 280.324 1.003 20 10 CDCDHM C[C@H](O)c1cn(C2CN(Cc3cc(F)ccc3[O-])C2)nn1 ZINC000374798621 370756965 /nfs/dbraw/zinc/75/69/65/370756965.db2.gz HQGXZFKLSNZTJT-VIFPVBQESA-N -1 3 292.314 1.233 20 10 CDCDHM CNC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271182054 364964432 /nfs/dbraw/zinc/96/44/32/364964432.db2.gz KETSYBCDNHJPJH-UHFFFAOYSA-N -1 3 283.759 1.503 20 10 CDCDHM COC(=O)[C@@]1(F)CCN(Cc2ccccc2[O-])C1 ZINC000271254591 364978115 /nfs/dbraw/zinc/97/81/15/364978115.db2.gz GKYPSDYLQNAMMY-CYBMUJFWSA-N -1 3 253.273 1.479 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)CO[C@H]2CCOC2)c([O-])c1O ZINC000272719845 365364941 /nfs/dbraw/zinc/36/49/41/365364941.db2.gz HBYOQHCKZYUEFR-MNOVXSKESA-N -1 3 295.335 1.330 20 10 CDCDHM CCOC[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000529666803 368087028 /nfs/dbraw/zinc/08/70/28/368087028.db2.gz OEDUEMRESBQKHG-ZDUSSCGKSA-N -1 3 251.326 1.630 20 10 CDCDHM CCN(C)C(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000295641570 371384092 /nfs/dbraw/zinc/38/40/92/371384092.db2.gz OTYGLHDTVUFZTF-LBPRGKRZSA-N -1 3 294.351 1.331 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000245893217 376303962 /nfs/dbraw/zinc/30/39/62/376303962.db2.gz CMVGZZHGYWMPBA-CABCVRRESA-N -1 3 281.327 1.911 20 10 CDCDHM COc1cc(Cl)cc(CN2CC[C@H](O)C2)c1[O-] ZINC000184680017 262026216 /nfs/dbraw/zinc/02/62/16/262026216.db2.gz WDKUEDHGCXXDNK-JTQLQIEISA-N -1 3 257.717 1.621 20 10 CDCDHM CCN(C)C(=O)CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000186821401 260013192 /nfs/dbraw/zinc/01/31/92/260013192.db2.gz UXBZCNTXHSPMED-VIFPVBQESA-N -1 3 254.305 1.660 20 10 CDCDHM NC(=O)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000157114764 261140537 /nfs/dbraw/zinc/14/05/37/261140537.db2.gz AXFHKRWGKYUDPN-SSDOTTSWSA-N -1 3 299.714 1.261 20 10 CDCDHM CC[C@H](C)[C@@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000185855240 327848144 /nfs/dbraw/zinc/84/81/44/327848144.db2.gz LHPIZKHRAALBJK-KWQFWETISA-N -1 3 253.298 1.235 20 10 CDCDHM C[C@@H](O)CN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000276188454 328217279 /nfs/dbraw/zinc/21/72/79/328217279.db2.gz IVLWQFSMPVRBMP-LLVKDONJSA-N -1 3 268.332 1.030 20 10 CDCDHM CC(C)[C@]1(CO)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000378059150 329038356 /nfs/dbraw/zinc/03/83/56/329038356.db2.gz YAYSNLDUAJTZMH-OAHLLOKOSA-N -1 3 279.336 1.578 20 10 CDCDHM O=C(/C=C\c1cncc([O-])c1)N1CC(=O)Nc2cnccc21 ZINC000492994641 332421846 /nfs/dbraw/zinc/42/18/46/332421846.db2.gz KAXXYUGDGORATO-UPHRSURJSA-N -1 3 296.286 1.181 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC2(C1)CCOC2 ZINC001142509166 1160689159 /nfs/dbraw/zinc/68/91/59/1160689159.db2.gz ZGXQLLFPJKPNQI-UHFFFAOYSA-N -1 3 255.264 1.893 20 10 CDCDHM COc1cc([O-])c(CN2CC[C@@](F)(CO)C2)cc1Cl ZINC001232265947 1161029709 /nfs/dbraw/zinc/02/97/09/1161029709.db2.gz HNDVRMNMNHGAIO-ZDUSSCGKSA-N -1 3 289.734 1.961 20 10 CDCDHM CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000276019996 519404650 /nfs/dbraw/zinc/40/46/50/519404650.db2.gz QSASODTUWDHGNJ-NSHDSACASA-N -1 3 292.335 1.085 20 10 CDCDHM CC(C)C(=O)NCCNCc1c([O-])cccc1Cl ZINC000083551409 519500526 /nfs/dbraw/zinc/50/05/26/519500526.db2.gz TVVRDPOGPNNEFV-UHFFFAOYSA-N -1 3 270.760 1.907 20 10 CDCDHM COC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000234867145 522302807 /nfs/dbraw/zinc/30/28/07/522302807.db2.gz ZAJGUJCDLNUTOH-SECBINFHSA-N -1 3 280.151 1.796 20 10 CDCDHM CC[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1Cl ZINC000131230952 523137530 /nfs/dbraw/zinc/13/75/30/523137530.db2.gz DHZGWEKCIPFCFL-LLVKDONJSA-N -1 3 268.744 1.756 20 10 CDCDHM Cc1ccc(C(=O)N2CCOCC(F)(F)C2)c([O-])c1O ZINC000292124998 526117289 /nfs/dbraw/zinc/11/72/89/526117289.db2.gz LCAXUBOAPXBWLJ-UHFFFAOYSA-N -1 3 287.262 1.514 20 10 CDCDHM CCn1cc(CNCc2c([O-])cccc2OC)cn1 ZINC000735676381 575498262 /nfs/dbraw/zinc/49/82/62/575498262.db2.gz MPIYVJQWZZERHM-UHFFFAOYSA-N -1 3 261.325 1.907 20 10 CDCDHM O=C(NCc1ccccc1CO)c1cc([O-])cs1 ZINC000732275323 575085672 /nfs/dbraw/zinc/08/56/72/575085672.db2.gz IZABYDPLLOVXDS-UHFFFAOYSA-N -1 3 263.318 1.876 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000732289055 575087121 /nfs/dbraw/zinc/08/71/21/575087121.db2.gz KCHSRGOZQXIVOT-NWDGAFQWSA-N -1 3 296.392 1.125 20 10 CDCDHM CN(C(=O)COC(=O)c1cc([O-])cs1)C1CC1 ZINC000732353915 575088088 /nfs/dbraw/zinc/08/80/88/575088088.db2.gz WTUOVAFTBRTGRQ-UHFFFAOYSA-N -1 3 255.295 1.231 20 10 CDCDHM NC(=O)C1(CNC(=O)c2cc([O-])cs2)CCCC1 ZINC000734557491 575358716 /nfs/dbraw/zinc/35/87/16/575358716.db2.gz FQUDCOUHRCBRRL-UHFFFAOYSA-N -1 3 268.338 1.229 20 10 CDCDHM C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1cc([O-])cs1 ZINC000771418863 575578038 /nfs/dbraw/zinc/57/80/38/575578038.db2.gz OPWWZIPUYWZTDS-DTWKUNHWSA-N -1 3 254.355 1.618 20 10 CDCDHM CC(C)COC(=O)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000765404358 576016659 /nfs/dbraw/zinc/01/66/59/576016659.db2.gz SEEKGMFLLZPEIS-QMMMGPOBSA-N -1 3 271.338 1.771 20 10 CDCDHM CCOc1ccc(CN2CCNC(=O)CC2)c([O-])c1 ZINC000769326903 576345955 /nfs/dbraw/zinc/34/59/55/576345955.db2.gz QPIUXEQNVIHLNM-UHFFFAOYSA-N -1 3 264.325 1.113 20 10 CDCDHM CCC(=O)N1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000762578153 576655555 /nfs/dbraw/zinc/65/55/55/576655555.db2.gz DWYHQCXPVYBTIL-QMMMGPOBSA-N -1 3 268.338 1.194 20 10 CDCDHM CCOC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000751533881 577049126 /nfs/dbraw/zinc/04/91/26/577049126.db2.gz DMVDFTVBKGSFOP-QMMMGPOBSA-N -1 3 267.281 1.088 20 10 CDCDHM CCOc1ccc(CNCc2cc(C(N)=O)no2)c([O-])c1 ZINC000757904965 577059895 /nfs/dbraw/zinc/05/98/95/577059895.db2.gz CKFRBABQBKPIMR-UHFFFAOYSA-N -1 3 291.307 1.168 20 10 CDCDHM O=C([O-])[C@@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000833771061 604790007 /nfs/dbraw/zinc/79/00/07/604790007.db2.gz ULAOESQHXRIJSV-ZDUSSCGKSA-N -1 3 265.309 1.050 20 10 CDCDHM Cc1ncccc1C=CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893204778 617461361 /nfs/dbraw/zinc/46/13/61/617461361.db2.gz LRAZVUJWVUKDNA-SREVYHEPSA-N -1 3 296.330 1.878 20 10 CDCDHM COC(=O)[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893949976 618216844 /nfs/dbraw/zinc/21/68/44/618216844.db2.gz VMRSFUIDHIQKSL-MRVPVSSYSA-N -1 3 271.263 1.665 20 10 CDCDHM CN(Cc1cc(F)cc(F)c1[O-])C[C@H]1COCCO1 ZINC000895259248 619502638 /nfs/dbraw/zinc/50/26/38/619502638.db2.gz JDDKNHZRDYMXQD-NSHDSACASA-N -1 3 273.279 1.518 20 10 CDCDHM C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339220 1163156939 /nfs/dbraw/zinc/15/69/39/1163156939.db2.gz UTKLEMZTGLNZHM-ZYHUDNBSSA-N -1 3 294.351 1.072 20 10 CDCDHM C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(C(=O)[O-])ccc1[O-] ZINC001604333478 1163154334 /nfs/dbraw/zinc/15/43/34/1163154334.db2.gz WHOCVPOIXXGBSA-SNVBAGLBSA-N -1 3 297.351 1.529 20 10 CDCDHM C[C@H](Nc1cc(-c2nnn[n-]2)cnn1)c1ccccc1O ZINC001605441974 1163565733 /nfs/dbraw/zinc/56/57/33/1163565733.db2.gz VGCSDYMNBRHCDA-QMMMGPOBSA-N -1 3 283.295 1.535 20 10 CDCDHM C[C@H](Nc1cc(-c2nn[n-]n2)cnn1)c1ccccc1O ZINC001605441974 1163565739 /nfs/dbraw/zinc/56/57/39/1163565739.db2.gz VGCSDYMNBRHCDA-QMMMGPOBSA-N -1 3 283.295 1.535 20 10 CDCDHM COc1ccc(C[NH2+]Cc2ccoc2C(=O)[O-])c([O-])c1 ZINC001607260403 1164138040 /nfs/dbraw/zinc/13/80/40/1164138040.db2.gz MLZBFGXLTYERQU-UHFFFAOYSA-N -1 3 277.276 1.982 20 10 CDCDHM Cc1ccc(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(O)c1 ZINC001607780590 1164294213 /nfs/dbraw/zinc/29/42/13/1164294213.db2.gz KJMSNIZPQJADSW-OAHLLOKOSA-N -1 3 290.319 1.506 20 10 CDCDHM CC[C@H](COC)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604039108 1175728456 /nfs/dbraw/zinc/72/84/56/1175728456.db2.gz GFKQKSHILMREAU-VHSXEESVSA-N -1 3 291.355 1.648 20 10 CDCDHM C[C@@H](NCC(F)(F)CN)c1cc(F)cc(F)c1[O-] ZINC000817966495 705546653 /nfs/dbraw/zinc/54/66/53/705546653.db2.gz PBPQHWQRMYPPAN-ZCFIWIBFSA-N -1 3 266.238 1.915 20 10 CDCDHM C[C@H]1OCC[C@@]1(C)NC(=O)c1cccc(O)c1[O-] ZINC000229417751 705848472 /nfs/dbraw/zinc/84/84/72/705848472.db2.gz OEFQDXOEUTVGBP-AMIZOPFISA-N -1 3 251.282 1.395 20 10 CDCDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])c2nccn21 ZINC000836960086 706194267 /nfs/dbraw/zinc/19/42/67/706194267.db2.gz OZORRPHMXPCUBN-PSASIEDQSA-N -1 3 273.292 1.730 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](O)[C@@H](C)C2)c1[O-] ZINC000166477354 709649050 /nfs/dbraw/zinc/64/90/50/709649050.db2.gz UPCIOPBHEKNMAY-XPTSAGLGSA-N -1 3 281.327 1.937 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000816586869 709699292 /nfs/dbraw/zinc/69/92/92/709699292.db2.gz WJAOLZOMDFXIHA-RNCFNFMXSA-N -1 3 271.719 1.999 20 10 CDCDHM COC[C@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000793324151 710094282 /nfs/dbraw/zinc/09/42/82/710094282.db2.gz IJAUYOHZCXPFOT-ZETCQYMHSA-N -1 3 263.696 1.282 20 10 CDCDHM O=C(NC[C@H](O)c1ccco1)c1cccc(O)c1[O-] ZINC000790529437 710214109 /nfs/dbraw/zinc/21/41/09/710214109.db2.gz DMIQHURQKWTOFI-JTQLQIEISA-N -1 3 263.249 1.154 20 10 CDCDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1O ZINC000776676705 710380038 /nfs/dbraw/zinc/38/00/38/710380038.db2.gz CDABTPDPLKKWGK-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCO1 ZINC000187206170 710393532 /nfs/dbraw/zinc/39/35/32/710393532.db2.gz LTKSMXWFCDMRMU-ZYHUDNBSSA-N -1 3 265.309 1.785 20 10 CDCDHM CN(C)c1nccc(CNCc2cc(F)cc(F)c2[O-])n1 ZINC000883083390 710549343 /nfs/dbraw/zinc/54/93/43/710549343.db2.gz KINPZDMZLXVTJU-UHFFFAOYSA-N -1 3 294.305 1.816 20 10 CDCDHM CCOC(=O)CN(CC)Cc1cc(F)ccc1[O-] ZINC000179972201 711447448 /nfs/dbraw/zinc/44/74/48/711447448.db2.gz MKQHZUCDSMGHGQ-UHFFFAOYSA-N -1 3 255.289 1.916 20 10 CDCDHM CCS(=O)(=O)CCN[C@@H](C)c1c([O-])cccc1F ZINC000886522524 711493879 /nfs/dbraw/zinc/49/38/79/711493879.db2.gz LGEBLHHPIYOASO-VIFPVBQESA-N -1 3 275.345 1.617 20 10 CDCDHM CN(C[C@@H]1CCCOC1)C(=O)c1cccc(O)c1[O-] ZINC000126418565 711562732 /nfs/dbraw/zinc/56/27/32/711562732.db2.gz LLPQKPBDFHHIFU-JTQLQIEISA-N -1 3 265.309 1.596 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@]1(C)CO ZINC000703710698 711568823 /nfs/dbraw/zinc/56/88/23/711568823.db2.gz SMQSNIXAAJIJEU-LKFCYVNXSA-N -1 3 265.309 1.188 20 10 CDCDHM Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(O)c1[O-] ZINC000188314501 711635686 /nfs/dbraw/zinc/63/56/86/711635686.db2.gz KMJDLHVPSAQMJP-UHFFFAOYSA-N -1 3 286.287 1.757 20 10 CDCDHM O=C(NCC1(C2(O)CCC2)CC1)c1cccc(O)c1[O-] ZINC000887532198 711689818 /nfs/dbraw/zinc/68/98/18/711689818.db2.gz VPCJICKCIZPVPS-UHFFFAOYSA-N -1 3 277.320 1.523 20 10 CDCDHM O=C(NCCn1cnc2ccccc21)c1cccc(O)c1[O-] ZINC000790567362 711798192 /nfs/dbraw/zinc/79/81/92/711798192.db2.gz GXWDJIIMRJONLP-UHFFFAOYSA-N -1 3 297.314 1.878 20 10 CDCDHM CCN1C[C@H](NCc2c([O-])ccc(Cl)c2F)CC1=O ZINC000824886641 711837105 /nfs/dbraw/zinc/83/71/05/711837105.db2.gz GQPIOAGYGMUIPK-MRVPVSSYSA-N -1 3 286.734 1.895 20 10 CDCDHM COC(=O)N1CC(N[C@H](C)c2cc(C(=O)[O-])ccc2O)C1 ZINC001610189030 1165248284 /nfs/dbraw/zinc/24/82/84/1165248284.db2.gz XOBAYXDXQRSIQG-MRVPVSSYSA-N -1 3 294.307 1.192 20 10 CDCDHM CN(C)C[C@H]1CN(Cc2c([O-])cc(F)cc2F)CCO1 ZINC001140583187 936727567 /nfs/dbraw/zinc/72/75/67/936727567.db2.gz YKCXCGBMJXKRPQ-NSHDSACASA-N -1 3 286.322 1.433 20 10 CDCDHM C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccncc1 ZINC001148580696 932750650 /nfs/dbraw/zinc/75/06/50/932750650.db2.gz JXJOKCWBHZGCPY-MRVPVSSYSA-N -1 3 274.276 1.689 20 10 CDCDHM CN(C(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1N ZINC001148588298 932752889 /nfs/dbraw/zinc/75/28/89/932752889.db2.gz RNQKQBLYSYTJLC-UHFFFAOYSA-N -1 3 274.276 1.662 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCCO1 ZINC001231914865 943053557 /nfs/dbraw/zinc/05/35/57/943053557.db2.gz SVMGFKKSCBANOM-LBPRGKRZSA-N -1 3 299.754 1.810 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC2(C1)CCOC2 ZINC001233332007 943545705 /nfs/dbraw/zinc/54/57/05/943545705.db2.gz SVWQJEUOUBMIDC-UHFFFAOYSA-N -1 3 255.264 1.893 20 10 CDCDHM [O-]c1c(CN2C[C@H](CO)[C@H](O)C2)cccc1C(F)(F)F ZINC001233415705 943580476 /nfs/dbraw/zinc/58/04/76/943580476.db2.gz GDSLWVPVLSESET-MWLCHTKSSA-N -1 3 291.269 1.196 20 10 CDCDHM C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593207876 994219535 /nfs/dbraw/zinc/21/95/35/994219535.db2.gz FDAKYOXBIUVRDA-JOYOIKCWSA-N -1 3 279.336 1.902 20 10 CDCDHM O=C(/C=C/c1cncc([O-])c1)N1C[C@H](CO)c2ccccc21 ZINC000492975444 366187341 /nfs/dbraw/zinc/18/73/41/366187341.db2.gz VBEBRMDIYMJVAA-URWSZGRFSA-N -1 3 296.326 1.923 20 10 CDCDHM COCCCCCNC(=O)c1cccc(O)c1[O-] ZINC000192992752 358255690 /nfs/dbraw/zinc/25/56/90/358255690.db2.gz PQZXCZQSINFVSR-UHFFFAOYSA-N -1 3 253.298 1.644 20 10 CDCDHM C[C@H](C(=O)Nc1ncccn1)N(C)Cc1ccccc1[O-] ZINC000111235121 359197229 /nfs/dbraw/zinc/19/72/29/359197229.db2.gz SBPRLYMDRINCNZ-LLVKDONJSA-N -1 3 286.335 1.641 20 10 CDCDHM C[C@@H](CC(C)(C)O)NC(=O)c1cccc(O)c1[O-] ZINC000297143522 200096748 /nfs/dbraw/zinc/09/67/48/200096748.db2.gz ILZJBLAJCRBWBI-QMMMGPOBSA-N -1 3 253.298 1.377 20 10 CDCDHM CCOC(=O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000267563572 363847645 /nfs/dbraw/zinc/84/76/45/363847645.db2.gz GYNZOEOIMYKUQX-UHFFFAOYSA-N -1 3 267.281 1.089 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)Cn2ccnc2)c([O-])c1O ZINC000272527495 365277672 /nfs/dbraw/zinc/27/76/72/365277672.db2.gz ABYVODMCMOJGOZ-JTQLQIEISA-N -1 3 275.308 1.421 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCC[C@H]1O ZINC000288446074 369450910 /nfs/dbraw/zinc/45/09/10/369450910.db2.gz NNIPZUFLZHJTPZ-NXEZZACHSA-N -1 3 251.282 1.083 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@@H](C(N)=O)C(C)(C)C)c1[O-] ZINC000175655607 391139189 /nfs/dbraw/zinc/13/91/89/391139189.db2.gz CZYGRJXTFLCPPB-ZDUSSCGKSA-N -1 3 296.342 1.724 20 10 CDCDHM Cc1ccc(C(=O)N2CCC(C)(CO)CC2)c([O-])c1O ZINC000183731172 391268784 /nfs/dbraw/zinc/26/87/84/391268784.db2.gz WVPFMWDOELJWHC-UHFFFAOYSA-N -1 3 279.336 1.641 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC([C@@H]2CCOC2)C1 ZINC000366871882 225111262 /nfs/dbraw/zinc/11/12/62/225111262.db2.gz RHBAHBNUCUELLV-SECBINFHSA-N -1 3 263.293 1.206 20 10 CDCDHM CCOC(=O)CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000126342035 260350935 /nfs/dbraw/zinc/35/09/35/260350935.db2.gz BZXKBJFLIYEZIA-UHFFFAOYSA-N -1 3 279.292 1.266 20 10 CDCDHM C[C@H]1OCC[C@]12CN(Cc1cc(F)ccc1[O-])CCO2 ZINC000377274165 268062886 /nfs/dbraw/zinc/06/28/86/268062886.db2.gz WMDXVXKXJLEZRS-ABAIWWIYSA-N -1 3 281.327 1.911 20 10 CDCDHM CC(C)COCCCNC(=O)c1cccc(O)c1[O-] ZINC000186848328 327918845 /nfs/dbraw/zinc/91/88/45/327918845.db2.gz DUABUVHPNJJELP-UHFFFAOYSA-N -1 3 267.325 1.890 20 10 CDCDHM CC(C)OC(=O)[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000275161300 519751367 /nfs/dbraw/zinc/75/13/67/519751367.db2.gz UQUJGNUMXJTJCS-SECBINFHSA-N -1 3 281.308 1.415 20 10 CDCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)O ZINC000276631981 519820195 /nfs/dbraw/zinc/82/01/95/519820195.db2.gz BNGXJXATWQZLNJ-LBPRGKRZSA-N -1 3 267.325 1.623 20 10 CDCDHM COC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@@H](C)O1 ZINC000276117631 522503603 /nfs/dbraw/zinc/50/36/03/522503603.db2.gz XYPPWJQKEUDZKZ-MNOVXSKESA-N -1 3 295.335 1.282 20 10 CDCDHM COC(=O)[C@H](N(C)Cc1ccccc1[O-])C1(OC)CCC1 ZINC000290042000 523911431 /nfs/dbraw/zinc/91/14/31/523911431.db2.gz OCAJXRFSQNFZGT-AWEZNQCLSA-N -1 3 293.363 1.935 20 10 CDCDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000263764356 524484011 /nfs/dbraw/zinc/48/40/11/524484011.db2.gz ZKMVKKIBRGHHNO-SECBINFHSA-N -1 3 298.364 1.246 20 10 CDCDHM O=C(NOCCC(F)(F)F)c1cccc(O)c1[O-] ZINC000280384638 526845685 /nfs/dbraw/zinc/84/56/85/526845685.db2.gz FQSXMHZAYQPSJF-UHFFFAOYSA-N -1 3 265.187 1.712 20 10 CDCDHM O=C(N[C@@H]1CCOC2(CCC2)C1)c1cccc(O)c1[O-] ZINC000279686023 526933639 /nfs/dbraw/zinc/93/36/39/526933639.db2.gz BBARHUIUZQOODK-SNVBAGLBSA-N -1 3 277.320 1.929 20 10 CDCDHM CN(CC(=O)N1CCCC1)C(=O)c1cc([O-])cs1 ZINC000732262324 575084484 /nfs/dbraw/zinc/08/44/84/575084484.db2.gz UZQRSXLHJUUPQM-UHFFFAOYSA-N -1 3 268.338 1.148 20 10 CDCDHM O=C(NCC1(CO)CCCC1)c1cc([O-])cs1 ZINC000771743807 575606250 /nfs/dbraw/zinc/60/62/50/575606250.db2.gz OIEDFYNGUNMGIF-UHFFFAOYSA-N -1 3 255.339 1.736 20 10 CDCDHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000766249283 576088772 /nfs/dbraw/zinc/08/87/72/576088772.db2.gz IJFIRSCJCONUPE-DTWKUNHWSA-N -1 3 268.338 1.098 20 10 CDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H](C)CO1 ZINC000768441757 576283540 /nfs/dbraw/zinc/28/35/40/576283540.db2.gz MHPBIVSSHMAISA-IMSIIYSGSA-N -1 3 279.336 1.427 20 10 CDCDHM CCCN(CC(=O)OC)C(=O)c1cc([O-])cs1 ZINC000768478020 576289107 /nfs/dbraw/zinc/28/91/07/576289107.db2.gz GECKIFMQXATTGR-UHFFFAOYSA-N -1 3 257.311 1.479 20 10 CDCDHM CCOc1ccc(CN2CCOC[C@@H]2C(=O)OC)c([O-])c1 ZINC000769398085 576351934 /nfs/dbraw/zinc/35/19/34/576351934.db2.gz FSOKEPCNNQLTAO-CYBMUJFWSA-N -1 3 295.335 1.165 20 10 CDCDHM COc1ncc(NC(=O)c2cc([O-])cs2)cc1C(N)=O ZINC000762567715 576655180 /nfs/dbraw/zinc/65/51/80/576655180.db2.gz CNBWYQDCIIYBFE-UHFFFAOYSA-N -1 3 293.304 1.209 20 10 CDCDHM C[C@H](N[C@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756524448 576993715 /nfs/dbraw/zinc/99/37/15/576993715.db2.gz FTMNVAOKHOWCDG-CBAPKCEASA-N -1 3 270.279 1.552 20 10 CDCDHM COC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C(C)(C)C ZINC000751537216 577048899 /nfs/dbraw/zinc/04/88/99/577048899.db2.gz APOCZDPUSKTDMJ-GFCCVEGCSA-N -1 3 295.335 1.724 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000820871340 598129824 /nfs/dbraw/zinc/12/98/24/598129824.db2.gz ZCAMCIPOAJXUNH-SECBINFHSA-N -1 3 251.282 1.307 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000820871340 598129825 /nfs/dbraw/zinc/12/98/25/598129825.db2.gz ZCAMCIPOAJXUNH-SECBINFHSA-N -1 3 251.282 1.307 20 10 CDCDHM C[C@@]1(CO)C[C@H](O)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000895328902 619567298 /nfs/dbraw/zinc/56/72/98/619567298.db2.gz HLFXFETWLAVVRW-GWCFXTLKSA-N -1 3 289.734 1.502 20 10 CDCDHM CCOc1ccc(C[N@H+](CC)CC(=O)[O-])c([O-])c1 ZINC001610043730 1165195758 /nfs/dbraw/zinc/19/57/58/1165195758.db2.gz KHLRTUDKOMXQFJ-UHFFFAOYSA-N -1 3 253.298 1.697 20 10 CDCDHM CCOc1ccc(C[N@@H+](CC)CC(=O)[O-])c([O-])c1 ZINC001610043730 1165195761 /nfs/dbraw/zinc/19/57/61/1165195761.db2.gz KHLRTUDKOMXQFJ-UHFFFAOYSA-N -1 3 253.298 1.697 20 10 CDCDHM Cc1ccc(O)c(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001581209713 1172595150 /nfs/dbraw/zinc/59/51/50/1172595150.db2.gz RHSGATCIVMRTMH-UHFFFAOYSA-N -1 3 298.306 1.139 20 10 CDCDHM Cc1ccc(O)c(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001581209713 1172595156 /nfs/dbraw/zinc/59/51/56/1172595156.db2.gz RHSGATCIVMRTMH-UHFFFAOYSA-N -1 3 298.306 1.139 20 10 CDCDHM CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590439966 1173411827 /nfs/dbraw/zinc/41/18/27/1173411827.db2.gz VCCGFEISZXWQIZ-ZJUUUORDSA-N -1 3 291.355 1.384 20 10 CDCDHM CC[C@H]([NH2+]C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056001 1175737031 /nfs/dbraw/zinc/73/70/31/1175737031.db2.gz SKBUEUDJTJYOTD-NSHDSACASA-N -1 3 259.313 1.775 20 10 CDCDHM NC(=O)[C@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000162032815 711968077 /nfs/dbraw/zinc/96/80/77/711968077.db2.gz HYMQWKIPRMBLKR-LLVKDONJSA-N -1 3 268.744 1.885 20 10 CDCDHM COc1cccnc1NC(=O)c1cccc(O)c1[O-] ZINC000790614917 712012042 /nfs/dbraw/zinc/01/20/42/712012042.db2.gz MJJALWMKVPKCSM-UHFFFAOYSA-N -1 3 260.249 1.754 20 10 CDCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)C(=O)N(C)C ZINC000790974932 712069455 /nfs/dbraw/zinc/06/94/55/712069455.db2.gz WPOOPPDRAORFJG-SSDOTTSWSA-N -1 3 274.723 1.751 20 10 CDCDHM O=C(CNCc1cc(F)cc(F)c1[O-])NCC(F)F ZINC000708517477 712324465 /nfs/dbraw/zinc/32/44/65/712324465.db2.gz QFZVWMMETIYNPS-UHFFFAOYSA-N -1 3 280.221 1.141 20 10 CDCDHM COCCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000398360051 712473587 /nfs/dbraw/zinc/47/35/87/712473587.db2.gz XBUVGKXOOYAFDV-UHFFFAOYSA-N -1 3 253.298 1.643 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@]1(C)CO ZINC000703710707 712497519 /nfs/dbraw/zinc/49/75/19/712497519.db2.gz SMQSNIXAAJIJEU-YMTOWFKASA-N -1 3 265.309 1.188 20 10 CDCDHM CN(C)c1n[nH]c(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000818214899 712526167 /nfs/dbraw/zinc/52/61/67/712526167.db2.gz PNKLAMFOTIANMW-UHFFFAOYSA-N -1 3 285.710 1.981 20 10 CDCDHM CN(C)c1nc(NCc2c([O-])ccc(Cl)c2F)n[nH]1 ZINC000818214899 712526170 /nfs/dbraw/zinc/52/61/70/712526170.db2.gz PNKLAMFOTIANMW-UHFFFAOYSA-N -1 3 285.710 1.981 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(N)=O)c1[O-] ZINC000050133231 712771753 /nfs/dbraw/zinc/77/17/53/712771753.db2.gz KAJMDIOVRKDAGP-GFCCVEGCSA-N -1 3 280.299 1.184 20 10 CDCDHM CCCCC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000790871667 712796034 /nfs/dbraw/zinc/79/60/34/712796034.db2.gz AFTBTSLCWPPLMH-LLVKDONJSA-N -1 3 295.335 1.950 20 10 CDCDHM Cn1cc(C[NH2+]Cc2ccccc2[O-])cc1C(=O)[O-] ZINC001610604788 1165375531 /nfs/dbraw/zinc/37/55/31/1165375531.db2.gz QMXFYYQLGRSMIF-UHFFFAOYSA-N -1 3 260.293 1.719 20 10 CDCDHM O=C([O-])[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236454727 901967712 /nfs/dbraw/zinc/96/77/12/901967712.db2.gz UFTXMGIHNJHNHG-VIFPVBQESA-N -1 3 253.273 1.828 20 10 CDCDHM O=C([O-])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236454727 901967717 /nfs/dbraw/zinc/96/77/17/901967717.db2.gz UFTXMGIHNJHNHG-VIFPVBQESA-N -1 3 253.273 1.828 20 10 CDCDHM CC[C@H](C)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000839787625 905605032 /nfs/dbraw/zinc/60/50/32/905605032.db2.gz QBZIDXMFMJKCKS-JTQLQIEISA-N -1 3 296.342 1.793 20 10 CDCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(N(C)C)C1 ZINC001139126235 936599610 /nfs/dbraw/zinc/59/96/10/936599610.db2.gz CBJUCXLZHNFPCD-UHFFFAOYSA-N -1 3 288.347 1.553 20 10 CDCDHM [O-]c1ccc(F)cc1CN1C[C@H](CO)CC(F)(F)C1 ZINC001140058405 936674841 /nfs/dbraw/zinc/67/48/41/936674841.db2.gz YJJAKODABVEJHT-SECBINFHSA-N -1 3 275.270 1.981 20 10 CDCDHM CC[C@H](O)CCCNC(=O)c1cccc(O)c1[O-] ZINC000398514157 936711274 /nfs/dbraw/zinc/71/12/74/936711274.db2.gz SHNIXUXNMFNJFG-VIFPVBQESA-N -1 3 253.298 1.379 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCC(F)(F)[C@H](CO)C1 ZINC001137831578 922449066 /nfs/dbraw/zinc/44/90/66/922449066.db2.gz GCLHLFMITZWODK-VIFPVBQESA-N -1 3 275.270 1.981 20 10 CDCDHM COC[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000702763324 922608964 /nfs/dbraw/zinc/60/89/64/922608964.db2.gz COKHXRPQRVZDET-SECBINFHSA-N -1 3 251.282 1.349 20 10 CDCDHM O=C(Nc1cnn(CC(F)F)c1)c1cccc(O)c1[O-] ZINC000187102944 923574427 /nfs/dbraw/zinc/57/44/27/923574427.db2.gz RDKTYSNBRQOSCL-UHFFFAOYSA-N -1 3 283.234 1.812 20 10 CDCDHM Cc1ccc(C(=O)N2CCOc3ccncc32)c([O-])c1O ZINC000780961787 937207927 /nfs/dbraw/zinc/20/79/27/937207927.db2.gz SSWAYODJYCTYGV-UHFFFAOYSA-N -1 3 286.287 1.840 20 10 CDCDHM CCCN1C[C@H](CNC(=O)c2cccc(O)c2[O-])CC1=O ZINC000817622262 930568929 /nfs/dbraw/zinc/56/89/29/930568929.db2.gz OVGFOEKPAGYYDI-JTQLQIEISA-N -1 3 292.335 1.086 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@@H](C)c1c([O-])cccc1F ZINC000886491925 930892673 /nfs/dbraw/zinc/89/26/73/930892673.db2.gz WOZMFMDFCBFKNL-IUCAKERBSA-N -1 3 254.305 1.707 20 10 CDCDHM Cc1c(NC(=O)c2cc(O)c([O-])c(O)c2)cnn1C ZINC001148580580 932751172 /nfs/dbraw/zinc/75/11/72/932751172.db2.gz IGWWVZMDNCTOQB-UHFFFAOYSA-N -1 3 263.253 1.098 20 10 CDCDHM CC1(C)C[C@@H](CNC(=O)c2cc(O)c([O-])c(O)c2)O1 ZINC001148589936 932753976 /nfs/dbraw/zinc/75/39/76/932753976.db2.gz RFYGLWTXURQYSU-QMMMGPOBSA-N -1 3 267.281 1.101 20 10 CDCDHM O=C(NCCO[C@@H]1CCCCO1)c1cc(O)c([O-])c(O)c1 ZINC001148590053 932754891 /nfs/dbraw/zinc/75/48/91/932754891.db2.gz AFJKHBCFEWJMFO-GFCCVEGCSA-N -1 3 297.307 1.076 20 10 CDCDHM COC(=O)C1(NC(=O)c2cc(O)c([O-])c(O)c2)CCCC1 ZINC001148589987 932755130 /nfs/dbraw/zinc/75/51/30/932755130.db2.gz UNCUBMPKBADYFX-UHFFFAOYSA-N -1 3 295.291 1.019 20 10 CDCDHM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(=O)[n-]cn1 ZINC001157101824 938454459 /nfs/dbraw/zinc/45/44/59/938454459.db2.gz DZYFAUUFUFRLEE-UHFFFAOYSA-N -1 3 294.307 1.304 20 10 CDCDHM CCn1cc(CN[C@H](C)c2ccc(F)cc2[O-])nn1 ZINC000404440605 940962225 /nfs/dbraw/zinc/96/22/25/940962225.db2.gz GZXWPPLMDOSERJ-SECBINFHSA-N -1 3 264.304 1.994 20 10 CDCDHM Nc1ccc(CC(=O)NCc2ncccc2[O-])cc1 ZINC001220389877 941443224 /nfs/dbraw/zinc/44/32/24/941443224.db2.gz GADZZSJLBPCBRU-UHFFFAOYSA-N -1 3 257.293 1.228 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c([O-])c1 ZINC001231455946 942898815 /nfs/dbraw/zinc/89/88/15/942898815.db2.gz YUHXGRKKPJZBFT-JSGCOSHPSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c([O-])c1 ZINC001231455946 942898821 /nfs/dbraw/zinc/89/88/21/942898821.db2.gz YUHXGRKKPJZBFT-JSGCOSHPSA-N -1 3 277.320 1.701 20 10 CDCDHM CCNC(=O)[C@@H]1CCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232263578 943195444 /nfs/dbraw/zinc/19/54/44/943195444.db2.gz AYWPBWBVMORPCJ-NSHDSACASA-N -1 3 298.770 1.852 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCn2cnc(CO)c2C1 ZINC001235500494 944174512 /nfs/dbraw/zinc/17/45/12/944174512.db2.gz CTRVGGJFOYHDLZ-UHFFFAOYSA-N -1 3 293.754 1.750 20 10 CDCDHM CC1(C)OC[C@H](/C=C\C(=O)NCc2c([O-])cccc2F)O1 ZINC001303876334 945823427 /nfs/dbraw/zinc/82/34/27/945823427.db2.gz YOQQAVIRVULHCF-GFVADAIESA-N -1 3 295.310 1.855 20 10 CDCDHM CN(C)C1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000382760213 971832200 /nfs/dbraw/zinc/83/22/00/971832200.db2.gz QRSLDPXUSWQIMF-XQRVVYSFSA-N -1 3 291.307 1.443 20 10 CDCDHM Cc1cncn1CC(=O)NCc1c([O-])cccc1F ZINC001303875768 956129408 /nfs/dbraw/zinc/12/94/08/956129408.db2.gz OJZIMQVKBYWFEJ-UHFFFAOYSA-N -1 3 263.272 1.353 20 10 CDCDHM C[C@H]([NH2+][C@@H]1CCN(CCC(=O)[O-])C1=O)c1ccccc1[O-] ZINC001599902094 984853864 /nfs/dbraw/zinc/85/38/64/984853864.db2.gz KFGPTKIGFQNMBF-CMPLNLGQSA-N 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ZINC001148583357 932750298 /nfs/dbraw/zinc/75/02/98/932750298.db2.gz ZVBXPVMMHLTZNL-UHFFFAOYSA-N -1 3 263.253 1.098 20 10 CDCDHM C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cnccn1 ZINC001148589984 932754013 /nfs/dbraw/zinc/75/40/13/932754013.db2.gz UKRZHVZPYUMULJ-ZETCQYMHSA-N -1 3 275.264 1.084 20 10 CDCDHM O=C(N[C@H]1CC12CCOCC2)c1cc(O)c([O-])c(O)c1 ZINC001148589979 932754743 /nfs/dbraw/zinc/75/47/43/932754743.db2.gz UDHQBFTWFIVKNR-NSHDSACASA-N -1 3 279.292 1.102 20 10 CDCDHM CC(=O)N(C)C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203657072 939699602 /nfs/dbraw/zinc/69/96/02/939699602.db2.gz DLMWCQYFFYPYIM-UHFFFAOYSA-N -1 3 268.744 1.708 20 10 CDCDHM N[C@@H]1CN(Cc2c([O-])ccc(F)c2F)CCC1(F)F ZINC001206684950 940078207 /nfs/dbraw/zinc/07/82/07/940078207.db2.gz VTMVOOOUKXQVGR-SNVBAGLBSA-N -1 3 278.249 1.839 20 10 CDCDHM NC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001277457573 942626380 /nfs/dbraw/zinc/62/63/80/942626380.db2.gz JUSOMVPEAWOUKZ-TVQRCGJNSA-N -1 3 266.728 1.495 20 10 CDCDHM COCC[NH+](CCOC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231445642 942892389 /nfs/dbraw/zinc/89/23/89/942892389.db2.gz AENPAZBUKKXLDP-UHFFFAOYSA-N -1 3 283.324 1.185 20 10 CDCDHM COc1cc([O-])c(CN(C)C2COC2)cc1Cl ZINC001232269108 943197383 /nfs/dbraw/zinc/19/73/83/943197383.db2.gz AJVUMNVPOSLPDD-UHFFFAOYSA-N -1 3 257.717 1.885 20 10 CDCDHM CNC(=O)CCN(C)Cc1c([O-])ccc(F)c1F ZINC001233334400 943545550 /nfs/dbraw/zinc/54/55/50/943545550.db2.gz FEDIDVWBFSNECA-UHFFFAOYSA-N -1 3 258.268 1.238 20 10 CDCDHM CCN1C(=O)CN(Cc2cc3ccccc3cc2[O-])CC1=O ZINC001236827207 944584539 /nfs/dbraw/zinc/58/45/39/944584539.db2.gz RENSVHRLDXMORZ-UHFFFAOYSA-N -1 3 298.342 1.736 20 10 CDCDHM C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592529934 978391628 /nfs/dbraw/zinc/39/16/28/978391628.db2.gz JDAPIYNAGOXPJI-UWVGGRQHSA-N -1 3 267.325 1.760 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCO[C@]2(CCOC2)C1 ZINC000274385353 365645411 /nfs/dbraw/zinc/64/54/11/365645411.db2.gz BXLNOQJBUMYGCG-CQSZACIVSA-N -1 3 267.300 1.523 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CCO)c([O-])c1O ZINC000187839912 357812984 /nfs/dbraw/zinc/81/29/84/357812984.db2.gz HOZZRHICZRWUEX-PWSUYJOCSA-N -1 3 279.336 1.687 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273433949 365494665 /nfs/dbraw/zinc/49/46/65/365494665.db2.gz WMVBLMSQFMATJV-DTWKUNHWSA-N -1 3 281.312 1.476 20 10 CDCDHM COCCC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000193163375 367851756 /nfs/dbraw/zinc/85/17/56/367851756.db2.gz QZYQTUMGZSNAQW-UHFFFAOYSA-N -1 3 267.325 1.890 20 10 CDCDHM COC(=O)C(C)(C)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000285884283 368668711 /nfs/dbraw/zinc/66/87/11/368668711.db2.gz BNUJIWPKFAUVPL-UHFFFAOYSA-N -1 3 295.335 1.725 20 10 CDCDHM CC(C)n1cnnc1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000294214454 370998633 /nfs/dbraw/zinc/99/86/33/370998633.db2.gz YKXMYAMIQJLGKQ-UHFFFAOYSA-N -1 3 290.323 1.542 20 10 CDCDHM C[C@H](N[C@H]1CCCNC1=O)c1ccc(F)c(F)c1[O-] ZINC000296510573 378735368 /nfs/dbraw/zinc/73/53/68/378735368.db2.gz PMFGIVJRCMBEMA-XVKPBYJWSA-N -1 3 270.279 1.600 20 10 CDCDHM Cc1ccc(C(=O)N2CCCN(C)CC2)c([O-])c1O ZINC000181770251 391226963 /nfs/dbraw/zinc/22/69/63/391226963.db2.gz MVAHHFRNJPJBHI-UHFFFAOYSA-N -1 3 264.325 1.184 20 10 CDCDHM CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000077253447 177242066 /nfs/dbraw/zinc/24/20/66/177242066.db2.gz JMZQDDMOMZKCOB-LLVKDONJSA-N -1 3 265.309 1.840 20 10 CDCDHM CCOc1cccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000077253447 177242067 /nfs/dbraw/zinc/24/20/67/177242067.db2.gz JMZQDDMOMZKCOB-LLVKDONJSA-N -1 3 265.309 1.840 20 10 CDCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])C[C@H](C)O ZINC000187156576 262387505 /nfs/dbraw/zinc/38/75/05/262387505.db2.gz BQZZUFFZUXAHOL-BDAKNGLRSA-N -1 3 253.298 1.235 20 10 CDCDHM Cc1nc2n(n1)CCN(Cc1cc(F)ccc1[O-])C2 ZINC000272270843 263002869 /nfs/dbraw/zinc/00/28/69/263002869.db2.gz LNTVUEHYIJTGFQ-UHFFFAOYSA-N -1 3 262.288 1.447 20 10 CDCDHM CC(C)[C@@]1(CO)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000378059141 329038257 /nfs/dbraw/zinc/03/82/57/329038257.db2.gz YAYSNLDUAJTZMH-HNNXBMFYSA-N -1 3 279.336 1.578 20 10 CDCDHM CC(C)NC(=O)CN[C@H](C)c1ccc(F)cc1[O-] ZINC000062745919 519709053 /nfs/dbraw/zinc/70/90/53/519709053.db2.gz CIQHYHBVIOPWDM-SECBINFHSA-N -1 3 254.305 1.707 20 10 CDCDHM CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](C)CC ZINC000279361968 521079541 /nfs/dbraw/zinc/07/95/41/521079541.db2.gz SUOVJPCQXYYWPI-CABZTGNLSA-N -1 3 295.335 1.805 20 10 CDCDHM COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000276626580 523712005 /nfs/dbraw/zinc/71/20/05/523712005.db2.gz PAZANSQDTRJASR-NXEZZACHSA-N -1 3 293.319 1.369 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H](C)[S@](=O)CC2)c([O-])c1O ZINC000277458632 526126630 /nfs/dbraw/zinc/12/66/30/526126630.db2.gz GIHURRNAGABGGL-WVDJIFEKSA-N -1 3 297.376 1.389 20 10 CDCDHM Cc1nnsc1CNCc1cc(F)ccc1[O-] ZINC000292849740 526446447 /nfs/dbraw/zinc/44/64/47/526446447.db2.gz TWSYOFUTFKMSSB-UHFFFAOYSA-N -1 3 253.302 1.981 20 10 CDCDHM Cc1cccc([O-])c1C[NH+]1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001600543445 1174501541 /nfs/dbraw/zinc/50/15/41/1174501541.db2.gz WXLZJLHAHDUAAX-CQSZACIVSA-N -1 3 279.336 1.358 20 10 CDCDHM CCN(CC)C(=O)CNCc1c([O-])cccc1OC ZINC000725848636 574444274 /nfs/dbraw/zinc/44/42/74/574444274.db2.gz ZLRQMIHDIJVJMI-UHFFFAOYSA-N -1 3 266.341 1.359 20 10 CDCDHM O=C(NC[C@@H](O)c1ccccc1)c1cc([O-])cs1 ZINC000731866100 575066760 /nfs/dbraw/zinc/06/67/60/575066760.db2.gz QPGWGGFDQGLPEI-LLVKDONJSA-N -1 3 263.318 1.917 20 10 CDCDHM COCCn1cc(NC(=O)c2cc([O-])cs2)cn1 ZINC000732272848 575085466 /nfs/dbraw/zinc/08/54/66/575085466.db2.gz FLQJMCDUHLFALY-UHFFFAOYSA-N -1 3 267.310 1.549 20 10 CDCDHM O=C(CNC(=O)c1cc([O-])cs1)Nc1cccnc1 ZINC000732282511 575086474 /nfs/dbraw/zinc/08/64/74/575086474.db2.gz OURNPUYQMBJBBM-UHFFFAOYSA-N -1 3 277.305 1.217 20 10 CDCDHM CN(CC(=O)OC(C)(C)C)C(=O)c1cc([O-])cs1 ZINC000732280979 575086612 /nfs/dbraw/zinc/08/66/12/575086612.db2.gz LPRWMRUIRGBQDI-UHFFFAOYSA-N -1 3 271.338 1.867 20 10 CDCDHM CS(=O)(=O)CCCOC(=O)c1cc([O-])cs1 ZINC000732353172 575088210 /nfs/dbraw/zinc/08/82/10/575088210.db2.gz NCRAQFYSFZHDMN-UHFFFAOYSA-N -1 3 264.324 1.045 20 10 CDCDHM CN(Cc1nnc2ccccn21)C(=O)c1cc([O-])cs1 ZINC000733360568 575116883 /nfs/dbraw/zinc/11/68/83/575116883.db2.gz LTLNTLDZVNSFMV-UHFFFAOYSA-N -1 3 288.332 1.769 20 10 CDCDHM COc1cccc([O-])c1CN(CCS(C)(=O)=O)C1CC1 ZINC000769523867 575356383 /nfs/dbraw/zinc/35/63/83/575356383.db2.gz IFGPTRPUQGAGNF-UHFFFAOYSA-N -1 3 299.392 1.410 20 10 CDCDHM CCOc1ccc(CN2CC[C@](F)(C(=O)OC)C2)c([O-])c1 ZINC000769564282 575360356 /nfs/dbraw/zinc/36/03/56/575360356.db2.gz OORFSKUTRUHJFF-OAHLLOKOSA-N -1 3 297.326 1.878 20 10 CDCDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cc([O-])cs1 ZINC000736725618 575729897 /nfs/dbraw/zinc/72/98/97/575729897.db2.gz WLEQXDNTBKOBER-SNPJHEAGSA-N -1 3 273.379 1.435 20 10 CDCDHM O=C(OCc1cc(=O)c(O)co1)c1cc([O-])cs1 ZINC000736825751 575759753 /nfs/dbraw/zinc/75/97/53/575759753.db2.gz QAYBFFLVDUDXEG-UHFFFAOYSA-N -1 3 268.246 1.470 20 10 CDCDHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N(C)CC1CC1 ZINC000766047987 576073928 /nfs/dbraw/zinc/07/39/28/576073928.db2.gz OYBUVDXAEODFMV-UHFFFAOYSA-N -1 3 298.364 1.593 20 10 CDCDHM CCOc1ccc(CN2CCN(C(C)=O)C[C@@H]2C)c([O-])c1 ZINC000769449130 576354819 /nfs/dbraw/zinc/35/48/19/576354819.db2.gz ZKKPVBUKEQEJPM-LBPRGKRZSA-N -1 3 292.379 1.844 20 10 CDCDHM C[C@H](NCCS(C)(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000756501321 576992027 /nfs/dbraw/zinc/99/20/27/576992027.db2.gz AGSHFRGCMJMIHF-ZETCQYMHSA-N -1 3 279.308 1.366 20 10 CDCDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)N(C)C ZINC000756739444 577002644 /nfs/dbraw/zinc/00/26/44/577002644.db2.gz MZMMILWXDGWOOZ-RKDXNWHRSA-N -1 3 281.312 1.428 20 10 CDCDHM CCN(CC(=O)NC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050143199 678365362 /nfs/dbraw/zinc/36/53/62/678365362.db2.gz NJQLCCIMLSCTNT-UHFFFAOYSA-N -1 3 282.315 1.302 20 10 CDCDHM Cc1ccncc1C=CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893206980 617463008 /nfs/dbraw/zinc/46/30/08/617463008.db2.gz JKBBLTIKLORBEI-SNAWJCMRSA-N -1 3 296.330 1.878 20 10 CDCDHM COC(=O)[C@@H](CC(F)F)NCc1cc(F)ccc1[O-] ZINC000789578555 678116051 /nfs/dbraw/zinc/11/60/51/678116051.db2.gz BSNWOYXYRSVFKM-SECBINFHSA-N -1 3 277.242 1.818 20 10 CDCDHM NCC(F)(F)CNCc1c([O-])ccc(Cl)c1F ZINC000841059949 678191087 /nfs/dbraw/zinc/19/10/87/678191087.db2.gz NRHPAACXALHTGI-UHFFFAOYSA-N -1 3 268.666 1.868 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1C1CCC1 ZINC000844036227 678035551 /nfs/dbraw/zinc/03/55/51/678035551.db2.gz GZALLKKYQNJNIR-LBPRGKRZSA-N -1 3 277.320 1.739 20 10 CDCDHM Cc1cc([O-])c(CN2CCNC(=O)[C@H]2C)cc1Cl ZINC000824646098 678157170 /nfs/dbraw/zinc/15/71/70/678157170.db2.gz XSINQLBUARDWKI-SECBINFHSA-N -1 3 268.744 1.674 20 10 CDCDHM Cc1nc(CNC(=O)c2cccc(O)c2[O-])cs1 ZINC000126316313 678159826 /nfs/dbraw/zinc/15/98/26/678159826.db2.gz SDPKVZRSBLKNJY-UHFFFAOYSA-N -1 3 264.306 1.793 20 10 CDCDHM C[C@@H]1COCCCN1C(=O)c1cccc(O)c1[O-] ZINC000398871907 678392919 /nfs/dbraw/zinc/39/29/19/678392919.db2.gz CNXITBMOQCWHGJ-SECBINFHSA-N -1 3 251.282 1.349 20 10 CDCDHM COC(=O)N1CC(N[C@H](C)c2c([O-])cccc2F)C1 ZINC000886553546 678428613 /nfs/dbraw/zinc/42/86/13/678428613.db2.gz PPGIIXDTQDSJDQ-MRVPVSSYSA-N -1 3 268.288 1.633 20 10 CDCDHM COc1ccc(CN(C)C(=O)c2cccc(O)c2[O-])cn1 ZINC000790902657 678637235 /nfs/dbraw/zinc/63/72/35/678637235.db2.gz ZEIHUTSIDKMCRE-UHFFFAOYSA-N -1 3 288.303 1.774 20 10 CDCDHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cccc(O)c1[O-] ZINC000790882939 678829342 /nfs/dbraw/zinc/82/93/42/678829342.db2.gz SWWLMBUZFAPOFT-ZJUUUORDSA-N -1 3 265.309 1.643 20 10 CDCDHM CNC(=O)CN(C)Cc1cc(Cl)c(C)cc1[O-] ZINC000827862383 678958691 /nfs/dbraw/zinc/95/86/91/678958691.db2.gz DDUJSLYVWIBASJ-UHFFFAOYSA-N -1 3 256.733 1.532 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](CCO)C1 ZINC000126616912 679026962 /nfs/dbraw/zinc/02/69/62/679026962.db2.gz NRCXXHIZIZAZSP-JTQLQIEISA-N -1 3 265.309 1.332 20 10 CDCDHM CCn1nncc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858440427 679635919 /nfs/dbraw/zinc/63/59/19/679635919.db2.gz UNWUILWEDIQNCF-VIFPVBQESA-N -1 3 291.311 1.763 20 10 CDCDHM Cc1ccnc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000328279252 679648744 /nfs/dbraw/zinc/64/87/44/679648744.db2.gz PHRXHFHIBLOKQV-UHFFFAOYSA-N -1 3 258.277 1.731 20 10 CDCDHM O=C(NCCc1nc2ccccc2[nH]1)c1cccc(O)c1[O-] ZINC000184774517 679652726 /nfs/dbraw/zinc/65/27/26/679652726.db2.gz YFENWUOHTNFHAK-UHFFFAOYSA-N -1 3 297.314 1.947 20 10 CDCDHM O=C(N[C@@H]1CCn2ccnc2C1)c1cccc(O)c1[O-] ZINC000790943832 1162177399 /nfs/dbraw/zinc/17/73/99/1162177399.db2.gz SJVYFVWVRZUBOJ-SECBINFHSA-N -1 3 273.292 1.039 20 10 CDCDHM [O-]c1c(F)cc(Cl)cc1CN1CCc2nncn2CC1 ZINC001237617177 1167395955 /nfs/dbraw/zinc/39/59/55/1167395955.db2.gz MAAJXBCKYFACNQ-UHFFFAOYSA-N -1 3 296.733 1.835 20 10 CDCDHM C[C@H]([NH2+][C@H]1CC12CC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589954688 1173210769 /nfs/dbraw/zinc/21/07/69/1173210769.db2.gz INJPDAVAGZHMTG-KWQFWETISA-N -1 3 271.324 1.775 20 10 CDCDHM CC[C@@H]([NH2+]C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055999 1175737081 /nfs/dbraw/zinc/73/70/81/1175737081.db2.gz SKBUEUDJTJYOTD-LLVKDONJSA-N -1 3 259.313 1.775 20 10 CDCDHM O=C(C1CCC1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC001140059181 894778633 /nfs/dbraw/zinc/77/86/33/894778633.db2.gz XLIHQCHOSYCFCO-UHFFFAOYSA-N -1 3 292.354 1.976 20 10 CDCDHM [O-]c1cc(O)c(CN2CCO[C@]3(CCOC3)C2)cc1Cl ZINC001232258924 912066160 /nfs/dbraw/zinc/06/61/60/912066160.db2.gz DOIZRLNZGBNJRY-CQSZACIVSA-N -1 3 299.754 1.743 20 10 CDCDHM CC(C)(C)N1CCN(Cc2cc(F)ccc2[O-])CC1=O ZINC001140055292 936674429 /nfs/dbraw/zinc/67/44/29/936674429.db2.gz QLVIZGFQPABKDF-UHFFFAOYSA-N -1 3 280.343 1.974 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCn2nncc2C1 ZINC001140342181 936703449 /nfs/dbraw/zinc/70/34/49/936703449.db2.gz WCPPGGIYCQMQJT-UHFFFAOYSA-N -1 3 264.716 1.653 20 10 CDCDHM CN(C)C(=O)CN(C)Cc1ccc(Cl)cc1[O-] ZINC001140466930 936712610 /nfs/dbraw/zinc/71/26/10/936712610.db2.gz MOTMDPRMQDULQB-UHFFFAOYSA-N -1 3 256.733 1.566 20 10 CDCDHM CN(Cc1ccccc1O)S(=O)(=O)c1ccc([O-])cc1 ZINC001195786351 924730197 /nfs/dbraw/zinc/73/01/97/924730197.db2.gz ACIKLYIUWQLVOU-UHFFFAOYSA-N -1 3 293.344 1.919 20 10 CDCDHM O=C1NCC2(CCN(Cc3cc(F)c(F)cc3[O-])CC2)N1 ZINC001142530473 937028058 /nfs/dbraw/zinc/02/80/58/937028058.db2.gz HRZBUCDJAXZKTQ-UHFFFAOYSA-N -1 3 297.305 1.318 20 10 CDCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ncn1 ZINC001148212981 932667809 /nfs/dbraw/zinc/66/78/09/932667809.db2.gz TXPWHEXZZWPQEQ-UHFFFAOYSA-N -1 3 261.237 1.149 20 10 CDCDHM CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001148212022 932668634 /nfs/dbraw/zinc/66/86/34/932668634.db2.gz IDZHBXUTYIRWFF-BJOHPYRUSA-N -1 3 291.303 1.266 20 10 CDCDHM CC1(C)C[C@@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC001148220077 932672106 /nfs/dbraw/zinc/67/21/06/932672106.db2.gz OTEVZBGWBCGRJA-QMMMGPOBSA-N -1 3 251.282 1.395 20 10 CDCDHM Cc1cc(C)n(CCNC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148581654 932751262 /nfs/dbraw/zinc/75/12/62/932751262.db2.gz RFPTXUOSOFYZJW-UHFFFAOYSA-N -1 3 291.307 1.047 20 10 CDCDHM N=C(NC(=O)c1cc(O)c([O-])c(O)c1)c1ccc(F)cn1 ZINC001148589618 932752615 /nfs/dbraw/zinc/75/26/15/932752615.db2.gz FBIHDIQDFZOJFY-UHFFFAOYSA-N -1 3 291.238 1.093 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(CCO)CC1 ZINC000400984573 940862435 /nfs/dbraw/zinc/86/24/35/940862435.db2.gz LZALOPZJRPNWRK-UHFFFAOYSA-N -1 3 265.309 1.332 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c([O-])c1 ZINC001231449254 942894447 /nfs/dbraw/zinc/89/44/47/942894447.db2.gz HPRPPCDTXILFNR-YGRLFVJLSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c([O-])c1 ZINC001231449254 942894452 /nfs/dbraw/zinc/89/44/52/942894452.db2.gz HPRPPCDTXILFNR-YGRLFVJLSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CCO3)CC2)c([O-])c1 ZINC001231455916 942899075 /nfs/dbraw/zinc/89/90/75/942899075.db2.gz XORLILDOBJNHGZ-UHFFFAOYSA-N -1 3 277.320 1.845 20 10 CDCDHM COC[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561687 942928547 /nfs/dbraw/zinc/92/85/47/942928547.db2.gz YLZYYRXRXISJNK-LBPRGKRZSA-N -1 3 265.309 1.701 20 10 CDCDHM COC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561687 942928551 /nfs/dbraw/zinc/92/85/51/942928551.db2.gz YLZYYRXRXISJNK-LBPRGKRZSA-N -1 3 265.309 1.701 20 10 CDCDHM COc1cc([O-])c(CN2CCNC(=O)[C@H]2C)cc1Cl ZINC001232265195 943194669 /nfs/dbraw/zinc/19/46/69/943194669.db2.gz QZSQTEWABOPLOK-MRVPVSSYSA-N -1 3 284.743 1.375 20 10 CDCDHM CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001596415350 984020751 /nfs/dbraw/zinc/02/07/51/984020751.db2.gz JPEPBQQFYVEHGQ-ZYHUDNBSSA-N -1 3 278.352 1.835 20 10 CDCDHM C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239260 994422152 /nfs/dbraw/zinc/42/21/52/994422152.db2.gz CYMKYASSZBDGKU-BJOHPYRUSA-N -1 3 279.336 1.902 20 10 CDCDHM C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257895 994537537 /nfs/dbraw/zinc/53/75/37/994537537.db2.gz VERBYJHCMCAQRX-MWLCHTKSSA-N -1 3 281.308 1.156 20 10 CDCDHM CCNC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000096970996 185144805 /nfs/dbraw/zinc/14/48/05/185144805.db2.gz XICIFNJPGZAENO-CQSZACIVSA-N -1 3 292.379 1.509 20 10 CDCDHM CCn1ccnc(N(C)Cc2ccccc2[O-])c1=O ZINC000091015570 342398938 /nfs/dbraw/zinc/39/89/38/342398938.db2.gz FERLBBBSSJEMCG-UHFFFAOYSA-N -1 3 259.309 1.605 20 10 CDCDHM CN1CC=C(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295116235 199353585 /nfs/dbraw/zinc/35/35/85/199353585.db2.gz WBKFJUPVXIBIQI-UHFFFAOYSA-N -1 3 280.299 1.229 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2C)c1[O-] ZINC000179921180 357231090 /nfs/dbraw/zinc/23/10/90/357231090.db2.gz LUWUBYSXPXIOAE-VIFPVBQESA-N -1 3 268.744 1.674 20 10 CDCDHM CCS(=O)(=O)CCN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187695353 357796270 /nfs/dbraw/zinc/79/62/70/357796270.db2.gz CYOFANTURYUFLS-MRVPVSSYSA-N -1 3 293.335 1.756 20 10 CDCDHM O=C1C[C@H](NCc2c([O-])cccc2Cl)CN1C1CC1 ZINC000267751973 363891035 /nfs/dbraw/zinc/89/10/35/363891035.db2.gz MNCZZNIFBUPZGU-VIFPVBQESA-N -1 3 280.755 1.899 20 10 CDCDHM Cc1nc(CCN(C)Cc2cccc(F)c2[O-])no1 ZINC000272304009 365181486 /nfs/dbraw/zinc/18/14/86/365181486.db2.gz QIHICRZBWZLZDM-UHFFFAOYSA-N -1 3 265.288 1.897 20 10 CDCDHM CNC(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000291925303 370313571 /nfs/dbraw/zinc/31/35/71/370313571.db2.gz ODXYRILQXOOSQW-SFYZADRCSA-N -1 3 267.285 1.086 20 10 CDCDHM COC[C@@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182236343 391232533 /nfs/dbraw/zinc/23/25/33/391232533.db2.gz NLNVMIYFTKSMPA-QMMMGPOBSA-N -1 3 253.298 1.419 20 10 CDCDHM CC[C@H](O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182816997 391245633 /nfs/dbraw/zinc/24/56/33/391245633.db2.gz CGSZQUPDJSURFC-VIFPVBQESA-N -1 3 253.298 1.297 20 10 CDCDHM Cc1ccc(C(=O)NCC(=O)C(C)(C)C)c([O-])c1O ZINC000182947301 391247327 /nfs/dbraw/zinc/24/73/27/391247327.db2.gz SWIDKLGZQSZGOR-UHFFFAOYSA-N -1 3 265.309 1.751 20 10 CDCDHM CCCN(Cc1nnn(C)n1)Cc1ccccc1[O-] ZINC000194433897 391358436 /nfs/dbraw/zinc/35/84/36/391358436.db2.gz UWXJXDVBQRYSMR-UHFFFAOYSA-N -1 3 261.329 1.328 20 10 CDCDHM CC[C@@H]1C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000281895468 391421278 /nfs/dbraw/zinc/42/12/78/391421278.db2.gz WSCKBQLBTMMOFG-LDYMZIIASA-N -1 3 298.364 1.292 20 10 CDCDHM CC1(C)C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000126516597 260352652 /nfs/dbraw/zinc/35/26/52/260352652.db2.gz IVAJHNXMPLLYNM-VIFPVBQESA-N -1 3 265.309 1.785 20 10 CDCDHM O=C1OC[C@@H]2CN(Cc3cc(F)ccc3[O-])CCN12 ZINC000361053744 261154020 /nfs/dbraw/zinc/15/40/20/261154020.db2.gz SMWLWRZDWGQCKK-NSHDSACASA-N -1 3 266.272 1.168 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](CO)C(C)C)c([O-])c1O ZINC000182966258 261958188 /nfs/dbraw/zinc/95/81/88/261958188.db2.gz NTIOFWMLOYKKEZ-SNVBAGLBSA-N -1 3 253.298 1.153 20 10 CDCDHM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000368348569 267164960 /nfs/dbraw/zinc/16/49/60/267164960.db2.gz MYBJASUAGBPKIZ-URLYPYJESA-N -1 3 298.726 1.624 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])C1CCC(CO)CC1 ZINC000185840146 327847405 /nfs/dbraw/zinc/84/74/05/327847405.db2.gz MBBXNBUZAOVEEV-UHFFFAOYSA-N -1 3 279.336 1.721 20 10 CDCDHM CCCOC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000280744486 328236462 /nfs/dbraw/zinc/23/64/62/328236462.db2.gz WSDIDIGSGQWFOW-UHFFFAOYSA-N -1 3 267.281 1.171 20 10 CDCDHM C[C@@H](O)c1cn(C2CN(Cc3ccccc3[O-])C2)nn1 ZINC000378533192 329054369 /nfs/dbraw/zinc/05/43/69/329054369.db2.gz NHCCKUOUUIDWBL-SNVBAGLBSA-N -1 3 274.324 1.094 20 10 CDCDHM COCC1=CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000167732333 331308466 /nfs/dbraw/zinc/30/84/66/331308466.db2.gz XQQAEYSJXRBLER-UHFFFAOYSA-N -1 3 263.293 1.517 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)NC2CC2)c1[O-] ZINC000050149105 518285549 /nfs/dbraw/zinc/28/55/49/518285549.db2.gz PNNMYSGODAWNJA-UHFFFAOYSA-N -1 3 294.326 1.444 20 10 CDCDHM COC(=O)[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000279011266 523966388 /nfs/dbraw/zinc/96/63/88/523966388.db2.gz AHDDNSPUCLMVHC-DTWKUNHWSA-N -1 3 279.292 1.169 20 10 CDCDHM CC1(C)OCC(NCc2cc([N+](=O)[O-])ccc2[O-])CO1 ZINC000758011044 574914509 /nfs/dbraw/zinc/91/45/09/574914509.db2.gz XHXSHHKSDLCNMA-UHFFFAOYSA-N -1 3 282.296 1.542 20 10 CDCDHM CCOC(=O)CCN(C)C(=O)c1cc([O-])cs1 ZINC000732277639 575086078 /nfs/dbraw/zinc/08/60/78/575086078.db2.gz PRSJJZFKXXGJGO-UHFFFAOYSA-N -1 3 257.311 1.479 20 10 CDCDHM NC(=O)CC[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732284514 575086797 /nfs/dbraw/zinc/08/67/97/575086797.db2.gz UVIRHIRPBUIZME-SECBINFHSA-N -1 3 282.365 1.571 20 10 CDCDHM O=C(OCCCN1CCCC1=O)c1cc([O-])cs1 ZINC000733497355 575127628 /nfs/dbraw/zinc/12/76/28/575127628.db2.gz UJNKVOPOSDPVQA-UHFFFAOYSA-N -1 3 269.322 1.623 20 10 CDCDHM CN(Cc1cc(Br)ccc1[O-])[C@H]1CCNC1=O ZINC000770383440 575444012 /nfs/dbraw/zinc/44/40/12/575444012.db2.gz VIZRKPZPEPBMRA-JTQLQIEISA-N -1 3 299.168 1.475 20 10 CDCDHM O=C(NCCc1ccc(O)c(O)c1)c1c([O-])cccc1O ZINC000770406826 575446468 /nfs/dbraw/zinc/44/64/68/575446468.db2.gz YFELGSWTXXKPJE-UHFFFAOYSA-N -1 3 289.287 1.482 20 10 CDCDHM O=C(NCCOC(=O)c1cc([O-])cs1)C1CCCC1 ZINC000766104917 576078741 /nfs/dbraw/zinc/07/87/41/576078741.db2.gz QVVSFHIBJLJZMA-UHFFFAOYSA-N -1 3 283.349 1.917 20 10 CDCDHM COc1cccc([O-])c1CN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000769193354 576336794 /nfs/dbraw/zinc/33/67/94/576336794.db2.gz XZRRWVFGAXPYMH-OLZOCXBDSA-N -1 3 290.363 1.644 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@@]2(C)CO)c([O-])c1O ZINC000760096942 576457643 /nfs/dbraw/zinc/45/76/43/576457643.db2.gz WGMAKOBIUYWQAM-AWEZNQCLSA-N -1 3 265.309 1.393 20 10 CDCDHM O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000761222620 576561182 /nfs/dbraw/zinc/56/11/82/576561182.db2.gz KRTRTLPNMHMQRP-SECBINFHSA-N -1 3 295.364 1.130 20 10 CDCDHM COCCOC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000743677388 576650496 /nfs/dbraw/zinc/65/04/96/576650496.db2.gz BSGXFRZYWYCMKK-QMMMGPOBSA-N -1 3 259.327 1.235 20 10 CDCDHM O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc([O-])cs1 ZINC000748319634 576904756 /nfs/dbraw/zinc/90/47/56/576904756.db2.gz FLSUFCQWBZZVFW-DTWKUNHWSA-N -1 3 255.339 1.735 20 10 CDCDHM C[C@H](NCC(=O)NCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000757633203 577047037 /nfs/dbraw/zinc/04/70/37/577047037.db2.gz RHNQBMIXUYVWBX-QMMMGPOBSA-N -1 3 284.306 1.847 20 10 CDCDHM CN(CC1(O)CCCC1)C(=O)c1cc([O-])cs1 ZINC000752658610 577117659 /nfs/dbraw/zinc/11/76/59/577117659.db2.gz DHXQHHLBPYEEHW-UHFFFAOYSA-N -1 3 255.339 1.831 20 10 CDCDHM COc1cccc(CNc2ccc(-c3nnn[n-]3)nc2)c1O ZINC000826215975 608377643 /nfs/dbraw/zinc/37/76/43/608377643.db2.gz FLNXLKYJUMVKRD-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1cccc(CNc2ccc(-c3nn[n-]n3)nc2)c1O ZINC000826215975 608377645 /nfs/dbraw/zinc/37/76/45/608377645.db2.gz FLNXLKYJUMVKRD-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1ccccc1O ZINC000867834790 679769530 /nfs/dbraw/zinc/76/95/30/679769530.db2.gz NXQLKNNSKRSWQU-MRVPVSSYSA-N -1 3 292.382 1.015 20 10 CDCDHM CCOCCOC1CN(Cc2cc(F)ccc2[O-])C1 ZINC000838993829 679804232 /nfs/dbraw/zinc/80/42/32/679804232.db2.gz XNMFJMVDXWMSJQ-UHFFFAOYSA-N -1 3 269.316 1.769 20 10 CDCDHM Cc1noc(C)c1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000186908591 679806092 /nfs/dbraw/zinc/80/60/92/679806092.db2.gz MEOJNCDSIRPUPX-UHFFFAOYSA-N -1 3 276.292 1.975 20 10 CDCDHM O=C(NCc1nc2cccnc2[nH]1)c1cccc(O)c1[O-] ZINC000793930518 679837361 /nfs/dbraw/zinc/83/73/61/679837361.db2.gz CHTLLFIVFDKDBE-UHFFFAOYSA-N -1 3 284.275 1.299 20 10 CDCDHM O=C(NC[C@H]1CCSC1)c1cccc(O)c1[O-] ZINC000228578617 681536412 /nfs/dbraw/zinc/53/64/12/681536412.db2.gz FUZXWUSEHVJNST-MRVPVSSYSA-N -1 3 253.323 1.581 20 10 CDCDHM C[C@H](NCC(=O)NCC1CC1)c1c([O-])cccc1F ZINC000886586790 681856741 /nfs/dbraw/zinc/85/67/41/681856741.db2.gz XHFPELUFFFJNME-VIFPVBQESA-N -1 3 266.316 1.708 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@@H]1CO ZINC000126571048 681878132 /nfs/dbraw/zinc/87/81/32/681878132.db2.gz UXCRKSYEBMTHSO-SNVBAGLBSA-N -1 3 265.309 1.475 20 10 CDCDHM CNC(=O)[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000825479434 681996913 /nfs/dbraw/zinc/99/69/13/681996913.db2.gz NYTPTNIMLKYILT-CYBMUJFWSA-N -1 3 298.770 1.301 20 10 CDCDHM COC(=O)[C@](C)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000776658226 682086571 /nfs/dbraw/zinc/08/65/71/682086571.db2.gz PWXPSIMXLTUBLM-CQSZACIVSA-N -1 3 279.292 1.169 20 10 CDCDHM CCn1ccnc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000836945845 682626980 /nfs/dbraw/zinc/62/69/80/682626980.db2.gz DJPKJDUZNNBCCJ-VIFPVBQESA-N -1 3 275.308 1.805 20 10 CDCDHM C[C@H](C[S@@](C)=O)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000708422248 683568468 /nfs/dbraw/zinc/56/84/68/683568468.db2.gz LACSQRXJUBJOQT-NTCNTBNZSA-N -1 3 277.336 1.869 20 10 CDCDHM CS(=O)(=O)C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000841887212 683963963 /nfs/dbraw/zinc/96/39/63/683963963.db2.gz IKKLGGVPUJDTCW-UHFFFAOYSA-N -1 3 275.757 1.274 20 10 CDCDHM O=C(Nc1ccc(-n2cncn2)cn1)c1cccc(O)c1[O-] ZINC000791282185 684080755 /nfs/dbraw/zinc/08/07/55/684080755.db2.gz BNCSXULZULYSKB-UHFFFAOYSA-N -1 3 297.274 1.326 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](CO)O1 ZINC000787418492 684262091 /nfs/dbraw/zinc/26/20/91/684262091.db2.gz WQRMNMXXDLRWFN-ZJUUUORDSA-N -1 3 271.744 1.627 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccncc1 ZINC000126253807 1175446512 /nfs/dbraw/zinc/44/65/12/1175446512.db2.gz LQPCPLCKTYZYAZ-VIFPVBQESA-N -1 3 258.277 1.984 20 10 CDCDHM CC(=O)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142501877 1160686206 /nfs/dbraw/zinc/68/62/06/1160686206.db2.gz DRZYWWAGRPGRCB-UHFFFAOYSA-N -1 3 284.306 1.725 20 10 CDCDHM C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(C(=O)[O-])ccc1[O-] ZINC001604341371 1163159645 /nfs/dbraw/zinc/15/96/45/1163159645.db2.gz KHFCKQUAKGOMGL-XHVZSJERSA-N -1 3 279.336 1.902 20 10 CDCDHM Oc1cccc(Cl)c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001607111847 1164089682 /nfs/dbraw/zinc/08/96/82/1164089682.db2.gz LSPKYFZGBPGKNG-UHFFFAOYSA-N -1 3 291.702 1.561 20 10 CDCDHM O=C([O-])c1ccc(O)c(CN2CC[C@]23CCOC3)c1 ZINC001231567141 911784934 /nfs/dbraw/zinc/78/49/34/911784934.db2.gz VUQYUJAGESNBDO-CQSZACIVSA-N -1 3 263.293 1.455 20 10 CDCDHM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCN2CC[C@@H]2C1 ZINC001193613054 923805759 /nfs/dbraw/zinc/80/57/59/923805759.db2.gz YQAPXSQVHRQAJV-SECBINFHSA-N -1 3 282.727 1.281 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CCN(C2CC2)CC1 ZINC001142508854 937025243 /nfs/dbraw/zinc/02/52/43/937025243.db2.gz OBNVEGPVYQVHEN-UHFFFAOYSA-N -1 3 268.307 1.950 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@](F)(CO)CC1 ZINC001148212214 932669065 /nfs/dbraw/zinc/66/90/65/932669065.db2.gz RCXNLCRMZIQGDL-CQSZACIVSA-N -1 3 283.299 1.425 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001148219362 932670351 /nfs/dbraw/zinc/67/03/51/932670351.db2.gz ZKUDYISNENJZMS-DTORHVGOSA-N -1 3 299.273 1.452 20 10 CDCDHM N=C(NC(=O)c1cccc(O)c1[O-])c1cccnc1Cl ZINC001148223935 932671844 /nfs/dbraw/zinc/67/18/44/932671844.db2.gz AGLCYSYYLVDLLF-UHFFFAOYSA-N -1 3 291.694 1.902 20 10 CDCDHM Cn1cc2cccc(NC(=O)c3cc(O)c([O-])c(O)c3)c2n1 ZINC001148587154 932752525 /nfs/dbraw/zinc/75/25/25/932752525.db2.gz DOPQIDDGIOJBSD-UHFFFAOYSA-N -1 3 299.286 1.942 20 10 CDCDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)C(=O)NCCF ZINC000800294014 935895591 /nfs/dbraw/zinc/89/55/91/935895591.db2.gz SMCHFFVKLIWHGA-ZETCQYMHSA-N -1 3 292.713 1.749 20 10 CDCDHM O=C([O-])c1ccc(C[NH+]2CC3(C2)CCOC3)c([O-])c1 ZINC001231447599 942893654 /nfs/dbraw/zinc/89/36/54/942893654.db2.gz WMJLFDHIIKAQOY-UHFFFAOYSA-N -1 3 263.293 1.313 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC001231565526 942930381 /nfs/dbraw/zinc/93/03/81/942930381.db2.gz ZTJSULKWLQOVMP-NSHDSACASA-N -1 3 279.336 1.685 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC001231565526 942930382 /nfs/dbraw/zinc/93/03/82/942930382.db2.gz ZTJSULKWLQOVMP-NSHDSACASA-N -1 3 279.336 1.685 20 10 CDCDHM [O-]c1cc(O)c(CN2C[C@@H]3C[C@H]2CO3)cc1Cl ZINC001232269302 943197220 /nfs/dbraw/zinc/19/72/20/943197220.db2.gz ZHOPHULQCQUYAQ-IUCAKERBSA-N -1 3 255.701 1.724 20 10 CDCDHM O=C1O[C@H]2C[C@@H]1N(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233455418 943588644 /nfs/dbraw/zinc/58/86/44/943588644.db2.gz KGZVXELJPOHCRO-UWVGGRQHSA-N -1 3 287.237 1.911 20 10 CDCDHM COc1ncc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000384175895 944002235 /nfs/dbraw/zinc/00/22/35/944002235.db2.gz OFGZOAHTTZZTCW-UHFFFAOYSA-N -1 3 261.237 1.149 20 10 CDCDHM Cc1cc(CN2CC(O)C2)c([O-])cc1Br ZINC001250120316 949992948 /nfs/dbraw/zinc/99/29/48/949992948.db2.gz BAGADTXRQDESNG-UHFFFAOYSA-N -1 3 272.142 1.640 20 10 CDCDHM C[C@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001251967655 951014760 /nfs/dbraw/zinc/01/47/60/951014760.db2.gz TVCFNHLSXIAWRB-VIFPVBQESA-N -1 3 297.310 1.960 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)c[nH]c1=O ZINC001303875779 956128773 /nfs/dbraw/zinc/12/87/73/956128773.db2.gz PASHGOMXCJPLKP-UHFFFAOYSA-N -1 3 280.230 1.701 20 10 CDCDHM Cc1nccnc1NC(=O)NCc1c([O-])cccc1F ZINC001311336286 956749515 /nfs/dbraw/zinc/74/95/15/956749515.db2.gz ALHRQZQMRZIGBT-UHFFFAOYSA-N -1 3 276.271 1.951 20 10 CDCDHM Cc1nnc(CN[C@H](C)c2cc(F)cc(F)c2[O-])n1C ZINC001337785463 961419842 /nfs/dbraw/zinc/41/98/42/961419842.db2.gz NJGCXDBKFKWIJM-SSDOTTSWSA-N -1 3 282.294 1.958 20 10 CDCDHM COc1cccc([O-])c1C[NH2+]C[C@@H](C(=O)[O-])C(C)C ZINC001604871511 974120409 /nfs/dbraw/zinc/12/04/09/974120409.db2.gz RQMQDLCPALXBGK-SNVBAGLBSA-N -1 3 267.325 1.847 20 10 CDCDHM C[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(C(=O)[O-])ccc1[O-] ZINC001592529935 978391864 /nfs/dbraw/zinc/39/18/64/978391864.db2.gz JDAPIYNAGOXPJI-VHSXEESVSA-N -1 3 267.325 1.760 20 10 CDCDHM C[C@@H]([NH2+]C/C=C/CO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256480 994522195 /nfs/dbraw/zinc/52/21/95/994522195.db2.gz IIFSHYGVEVUPEX-GKQMSVHHSA-N -1 3 251.282 1.290 20 10 CDCDHM CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001599079143 996953157 /nfs/dbraw/zinc/95/31/57/996953157.db2.gz OHKMBDAMLVUDKT-AWEZNQCLSA-N -1 3 265.309 1.376 20 10 CDCDHM CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001599079143 996953173 /nfs/dbraw/zinc/95/31/73/996953173.db2.gz OHKMBDAMLVUDKT-AWEZNQCLSA-N -1 3 265.309 1.376 20 10 CDCDHM COC(=O)[C@@H](NCc1cc(Cl)cc(C)c1[O-])[C@@H](C)O ZINC000191958729 358164024 /nfs/dbraw/zinc/16/40/24/358164024.db2.gz ZXEMBPBUTSMDHW-KCJUWKMLSA-N -1 3 287.743 1.366 20 10 CDCDHM COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000267557097 363845811 /nfs/dbraw/zinc/84/58/11/363845811.db2.gz FKRYUXNJMBBMRF-VIFPVBQESA-N -1 3 281.308 1.287 20 10 CDCDHM COC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272771991 365390379 /nfs/dbraw/zinc/39/03/79/365390379.db2.gz SKOGYMPIOFWWDS-LLVKDONJSA-N -1 3 293.319 1.574 20 10 CDCDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000273521562 365503842 /nfs/dbraw/zinc/50/38/42/365503842.db2.gz UMVCCAOIWDRUNS-ZANVPECISA-N -1 3 279.315 1.649 20 10 CDCDHM CS[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000297008414 371949059 /nfs/dbraw/zinc/94/90/59/371949059.db2.gz SUYCCXLWIJADSE-SECBINFHSA-N -1 3 267.350 1.984 20 10 CDCDHM CCCOc1ccc(CN2CCNC(=O)[C@H]2CC)c([O-])c1 ZINC000093050456 390899415 /nfs/dbraw/zinc/89/94/15/390899415.db2.gz QQZPHOQLOBFVLX-CQSZACIVSA-N -1 3 292.379 1.891 20 10 CDCDHM Cc1ccc(C(=O)N(C)C[C@H]2CCC[C@H]2O)c([O-])c1O ZINC000182904274 391247318 /nfs/dbraw/zinc/24/73/18/391247318.db2.gz WSXIGBRQVAXNMM-ZYHUDNBSSA-N -1 3 279.336 1.639 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@]2(CCOC2)O1 ZINC000280507376 296924967 /nfs/dbraw/zinc/92/49/67/296924967.db2.gz LGPDCMZXNLMZME-MEBBXXQBSA-N -1 3 293.319 1.118 20 10 CDCDHM COCC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000179494451 261791189 /nfs/dbraw/zinc/79/11/89/261791189.db2.gz VMKPWEPGFAIQHL-UHFFFAOYSA-N -1 3 279.336 1.905 20 10 CDCDHM COCCN(Cc1ccco1)C(=O)c1cccc(O)c1[O-] ZINC000186892075 262115223 /nfs/dbraw/zinc/11/52/23/262115223.db2.gz VEVIUNIFXRFUDJ-UHFFFAOYSA-N -1 3 291.303 1.980 20 10 CDCDHM C[C@H](O)CCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589998327 1173227177 /nfs/dbraw/zinc/22/71/77/1173227177.db2.gz RKGQXFXBNMKENH-UWVGGRQHSA-N -1 3 291.355 1.384 20 10 CDCDHM Cc1c([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cnn1C ZINC000181943394 327811393 /nfs/dbraw/zinc/81/13/93/327811393.db2.gz RAUIRVXYUURJEO-SECBINFHSA-N -1 3 289.335 1.939 20 10 CDCDHM O=C(Nc1nc2c(s1)COCC2)c1cccc(O)c1[O-] ZINC000193014760 329438188 /nfs/dbraw/zinc/43/81/88/329438188.db2.gz HIQKGXYJHAXBPI-UHFFFAOYSA-N -1 3 292.316 1.879 20 10 CDCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])CC[S@@]1=O ZINC000277671921 524489766 /nfs/dbraw/zinc/48/97/66/524489766.db2.gz WDYIYCFCLHMFTQ-AYLIAGHASA-N -1 3 283.349 1.081 20 10 CDCDHM CSC1(CNC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000275133591 525330962 /nfs/dbraw/zinc/33/09/62/525330962.db2.gz OBVNOHZJODYEAG-UHFFFAOYSA-N -1 3 297.376 1.740 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000291028447 527619411 /nfs/dbraw/zinc/61/94/11/527619411.db2.gz BCABOPHLYYMZBR-SNVBAGLBSA-N -1 3 275.270 1.981 20 10 CDCDHM O=C(NCCOC[C@H]1CCCO1)c1cc([O-])cs1 ZINC000734552598 575358061 /nfs/dbraw/zinc/35/80/61/575358061.db2.gz HNNFLEUJZDGQHS-SNVBAGLBSA-N -1 3 271.338 1.379 20 10 CDCDHM O=C(NCCNC(=O)c1cccnc1)c1cc([O-])cs1 ZINC000731870465 575066776 /nfs/dbraw/zinc/06/67/76/575066776.db2.gz ZOTFBHPKSZCXNK-UHFFFAOYSA-N -1 3 291.332 1.009 20 10 CDCDHM CCOC(=O)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731866661 575068395 /nfs/dbraw/zinc/06/83/95/575068395.db2.gz QKKIBEKYAXCIRC-UHFFFAOYSA-N -1 3 283.349 1.869 20 10 CDCDHM CCCCOC(=O)COC(=O)c1cc([O-])cs1 ZINC000732354736 575088228 /nfs/dbraw/zinc/08/82/28/575088228.db2.gz XYNXOEPCKFRKNB-UHFFFAOYSA-N -1 3 258.295 1.954 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCOC2(CCC2)C1 ZINC000766251751 576089324 /nfs/dbraw/zinc/08/93/24/576089324.db2.gz FDWXNTJMYMYUCB-UHFFFAOYSA-N -1 3 253.323 1.849 20 10 CDCDHM CCOc1ccc(CN2CCCC[C@H]2C(N)=O)c([O-])c1 ZINC000768179984 576262462 /nfs/dbraw/zinc/26/24/62/576262462.db2.gz QVZDXEHBQPAQLJ-ZDUSSCGKSA-N -1 3 278.352 1.631 20 10 CDCDHM COc1cccc([O-])c1CN1CCN(CC(C)(C)O)CC1 ZINC000769300985 576343764 /nfs/dbraw/zinc/34/37/64/576343764.db2.gz CRRIBZKUEJFNHH-UHFFFAOYSA-N -1 3 294.395 1.289 20 10 CDCDHM CCOC(=O)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000761603503 576585045 /nfs/dbraw/zinc/58/50/45/576585045.db2.gz VDHQORXDMNYOGY-ZETCQYMHSA-N -1 3 257.311 1.525 20 10 CDCDHM C[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)CN1C1CC1 ZINC000754025045 576873962 /nfs/dbraw/zinc/87/39/62/576873962.db2.gz NSXFHHDXFVVJHM-IUCAKERBSA-N -1 3 266.366 1.809 20 10 CDCDHM Cc1nnc(CNC(=O)c2cc([O-])cs2)n1C1CC1 ZINC000758584710 577119669 /nfs/dbraw/zinc/11/96/69/577119669.db2.gz YUQUCROAVQTARD-UHFFFAOYSA-N -1 3 278.337 1.619 20 10 CDCDHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc2c(c1)CCO2 ZINC000823767848 599424394 /nfs/dbraw/zinc/42/43/94/599424394.db2.gz YWSOCAHTTHRUSR-UHFFFAOYSA-N -1 3 297.318 1.684 20 10 CDCDHM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1cc(F)ccc1[O-] ZINC000895119098 619312489 /nfs/dbraw/zinc/31/24/89/619312489.db2.gz VGVMPHMYJRUPAQ-AEJSXWLSSA-N -1 3 266.316 1.629 20 10 CDCDHM CCO[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000837136235 685367434 /nfs/dbraw/zinc/36/74/34/685367434.db2.gz IAVOXXDRBNZHIC-ZYHUDNBSSA-N -1 3 265.309 1.785 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](CF)C1 ZINC000711454383 685011480 /nfs/dbraw/zinc/01/14/80/685011480.db2.gz YHGCSLRNJOOMGL-SECBINFHSA-N -1 3 253.273 1.920 20 10 CDCDHM CCCN(CC(N)=O)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000383309854 685239027 /nfs/dbraw/zinc/23/90/27/685239027.db2.gz SCMZATSDFDUZQA-UHFFFAOYSA-N -1 3 282.315 1.431 20 10 CDCDHM O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(O)c1[O-] ZINC000888843982 685710688 /nfs/dbraw/zinc/71/06/88/685710688.db2.gz OUFPJRCDHKOTEX-LODQBSKSSA-N -1 3 261.277 1.003 20 10 CDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1C(N)=O ZINC000188413849 685777941 /nfs/dbraw/zinc/77/79/41/685777941.db2.gz MUHGFFVFYWDVDE-UHFFFAOYSA-N -1 3 286.287 1.757 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCCCNC(=O)CC1 ZINC000889428261 685957564 /nfs/dbraw/zinc/95/75/64/685957564.db2.gz CTSCXABZBZGTLK-UHFFFAOYSA-N -1 3 292.335 1.230 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@@H](C)C2)c1[O-] ZINC000230635653 687116439 /nfs/dbraw/zinc/11/64/39/687116439.db2.gz UPCIOPBHEKNMAY-LKFCYVNXSA-N -1 3 281.327 1.937 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)C[C@H]2COCCO2)c1[O-] ZINC000852495279 687938982 /nfs/dbraw/zinc/93/89/82/687938982.db2.gz IPWQXPWOQPWVDR-ZDUSSCGKSA-N -1 3 297.326 1.581 20 10 CDCDHM Cc1cc(-c2nnn[n-]2)cc(N(C)Cc2ccccc2O)n1 ZINC001605526869 1163596307 /nfs/dbraw/zinc/59/63/07/1163596307.db2.gz FAWKIYSLKIQIFC-UHFFFAOYSA-N -1 3 296.334 1.912 20 10 CDCDHM Cc1cc(-c2nn[n-]n2)cc(N(C)Cc2ccccc2O)n1 ZINC001605526869 1163596312 /nfs/dbraw/zinc/59/63/12/1163596312.db2.gz FAWKIYSLKIQIFC-UHFFFAOYSA-N -1 3 296.334 1.912 20 10 CDCDHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1O ZINC001591728329 1173691750 /nfs/dbraw/zinc/69/17/50/1173691750.db2.gz RNYLYORMYCJQQJ-MRVPVSSYSA-N -1 3 298.306 1.391 20 10 CDCDHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1O ZINC001591728329 1173691755 /nfs/dbraw/zinc/69/17/55/1173691755.db2.gz RNYLYORMYCJQQJ-MRVPVSSYSA-N -1 3 298.306 1.391 20 10 CDCDHM Cc1ccc(O)c(CNc2ncncc2-c2nnn[n-]2)c1 ZINC001592186577 1173831558 /nfs/dbraw/zinc/83/15/58/1173831558.db2.gz LVBUPVQTDIHJLE-UHFFFAOYSA-N -1 3 283.295 1.283 20 10 CDCDHM COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])n2C)c([O-])c1 ZINC001607260458 1164138510 /nfs/dbraw/zinc/13/85/10/1164138510.db2.gz RMIXRWUKEAMSKC-UHFFFAOYSA-N -1 3 290.319 1.727 20 10 CDCDHM C[C@H]([NH2+][C@@H]1CCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609786928 1165081593 /nfs/dbraw/zinc/08/15/93/1165081593.db2.gz RQJKIXVKJOHOLA-WCBMZHEXSA-N -1 3 251.282 1.530 20 10 CDCDHM O=S1CC2(CN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001140337950 936703028 /nfs/dbraw/zinc/70/30/28/936703028.db2.gz OHSUZNRLIDPKNG-UHFFFAOYSA-N -1 3 271.769 1.610 20 10 CDCDHM C[C@@H](O)CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000691372258 922657398 /nfs/dbraw/zinc/65/73/98/922657398.db2.gz CYVKYANQHYYPIQ-MRVPVSSYSA-N -1 3 251.282 1.083 20 10 CDCDHM C[C@]1(O)COCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508910 937024982 /nfs/dbraw/zinc/02/49/82/937024982.db2.gz PPBBAQXKUDSHRI-CYBMUJFWSA-N -1 3 273.279 1.254 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC001148218936 932669680 /nfs/dbraw/zinc/66/96/80/932669680.db2.gz OWTMKEUHHRBHEZ-AOOOYVTPSA-N -1 3 275.304 1.824 20 10 CDCDHM Cn1cc2cccc(CNC(=O)c3cccc(O)c3[O-])c2n1 ZINC001148219920 932672038 /nfs/dbraw/zinc/67/20/38/932672038.db2.gz GBTVLEPWFPJXDL-UHFFFAOYSA-N -1 3 297.314 1.915 20 10 CDCDHM C[C@]1(NC(=O)c2cccc(O)c2[O-])CCCOC1 ZINC000235722756 932787956 /nfs/dbraw/zinc/78/79/56/932787956.db2.gz YONCNAXDGSVPGD-ZDUSSCGKSA-N -1 3 251.282 1.397 20 10 CDCDHM CC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC001203665247 939700375 /nfs/dbraw/zinc/70/03/75/939700375.db2.gz DPYGMYFRXHTQLK-CYBMUJFWSA-N -1 3 269.728 1.835 20 10 CDCDHM C=C(N)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212429 941423902 /nfs/dbraw/zinc/42/39/02/941423902.db2.gz JOLWXOIDFNWNSS-UHFFFAOYSA-N -1 3 277.711 1.682 20 10 CDCDHM C[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@H]1O ZINC001231560460 942925413 /nfs/dbraw/zinc/92/54/13/942925413.db2.gz IQRJFSSLFJESIK-GWCFXTLKSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@H]1O ZINC001231560460 942925417 /nfs/dbraw/zinc/92/54/17/942925417.db2.gz IQRJFSSLFJESIK-GWCFXTLKSA-N -1 3 279.336 1.683 20 10 CDCDHM [O-]c1cc(O)c(CN2C[C@@H](F)C[C@H](CO)C2)cc1Cl ZINC001232260426 943193171 /nfs/dbraw/zinc/19/31/71/943193171.db2.gz QADPWNFGSQMMMI-WPRPVWTQSA-N -1 3 289.734 1.904 20 10 CDCDHM COC(=O)[C@@H]1CCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232266673 943194658 /nfs/dbraw/zinc/19/46/58/943194658.db2.gz QYAYETRCXBOQAG-JTQLQIEISA-N -1 3 285.727 1.802 20 10 CDCDHM CN(C)C(=O)CN(C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418378 943580770 /nfs/dbraw/zinc/58/07/70/943580770.db2.gz DZHRIODIECOFLD-UHFFFAOYSA-N -1 3 290.285 1.931 20 10 CDCDHM CCC(=O)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001352868739 967523744 /nfs/dbraw/zinc/52/37/44/967523744.db2.gz UJJRQJYWQFOBSV-UHFFFAOYSA-N -1 3 292.335 1.229 20 10 CDCDHM CO[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001599079146 996955757 /nfs/dbraw/zinc/95/57/57/996955757.db2.gz OHKMBDAMLVUDKT-CQSZACIVSA-N -1 3 265.309 1.376 20 10 CDCDHM CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001599079146 996955766 /nfs/dbraw/zinc/95/57/66/996955766.db2.gz OHKMBDAMLVUDKT-CQSZACIVSA-N -1 3 265.309 1.376 20 10 CDCDHM O=C1CCN(Cc2cccc(Cl)c2[O-])CCN1 ZINC000180061501 357241070 /nfs/dbraw/zinc/24/10/70/357241070.db2.gz UJLDFOJPGKFUPA-UHFFFAOYSA-N -1 3 254.717 1.368 20 10 CDCDHM CC(C)C[C@@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000188920205 357952395 /nfs/dbraw/zinc/95/23/95/357952395.db2.gz PMJUVKLSFCYRNO-CYBMUJFWSA-N -1 3 262.353 1.739 20 10 CDCDHM CCN1CC(=O)N[C@H]1c1cc(Cl)cc(OC)c1[O-] ZINC000189870723 358043131 /nfs/dbraw/zinc/04/31/31/358043131.db2.gz YAYXCOPPELLARP-GFCCVEGCSA-N -1 3 270.716 1.505 20 10 CDCDHM C[C@H](NCc1cnnn1C)c1ccc(F)cc1[O-] ZINC000287301405 359330895 /nfs/dbraw/zinc/33/08/95/359330895.db2.gz KPUMKCVXKHLYAH-QMMMGPOBSA-N -1 3 250.277 1.511 20 10 CDCDHM O=C([O-])CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000238099760 361528396 /nfs/dbraw/zinc/52/83/96/361528396.db2.gz XLECMWNQRCJCOC-ZDUSSCGKSA-N -1 3 279.336 1.848 20 10 CDCDHM O=C([O-])CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000238099760 361528400 /nfs/dbraw/zinc/52/84/00/361528400.db2.gz XLECMWNQRCJCOC-ZDUSSCGKSA-N -1 3 279.336 1.848 20 10 CDCDHM CC(=O)N1CCN(Cc2cccc(F)c2[O-])[C@@H](C)C1 ZINC000272327187 365191285 /nfs/dbraw/zinc/19/12/85/365191285.db2.gz VLQMXLBLHMODTI-JTQLQIEISA-N -1 3 266.316 1.584 20 10 CDCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1ncc[nH]1 ZINC000283035932 368157270 /nfs/dbraw/zinc/15/72/70/368157270.db2.gz OZHAUAMBBHKBMA-NSHDSACASA-N -1 3 275.308 1.948 20 10 CDCDHM CC[C@H](C)[C@@H](CNC(=O)c1cccc(O)c1[O-])OC ZINC000294239944 371357200 /nfs/dbraw/zinc/35/72/00/371357200.db2.gz PCXSXRBGGTUSQF-JOYOIKCWSA-N -1 3 267.325 1.889 20 10 CDCDHM CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276698381 284323815 /nfs/dbraw/zinc/32/38/15/284323815.db2.gz VLCVFWWEPMFIGB-UWVGGRQHSA-N -1 3 295.339 1.818 20 10 CDCDHM Cc1ccc(C(=O)NCc2nncn2C2CC2)c([O-])c1O ZINC000177682524 391174686 /nfs/dbraw/zinc/17/46/86/391174686.db2.gz LIYFCIKANJZHLN-UHFFFAOYSA-N -1 3 288.307 1.263 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)CN2CCCC2=O)c([O-])c1O ZINC000182148984 391231979 /nfs/dbraw/zinc/23/19/79/391231979.db2.gz BGCJHICZZPRGME-JTQLQIEISA-N -1 3 292.335 1.147 20 10 CDCDHM CS(=O)(=O)[C@@H]1CCN(Cc2ccccc2[O-])C1 ZINC000281921985 391427467 /nfs/dbraw/zinc/42/74/67/391427467.db2.gz AFHACKXZZSBVRU-LLVKDONJSA-N -1 3 255.339 1.011 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@H]2CO)c([O-])c1O ZINC000153963781 261086189 /nfs/dbraw/zinc/08/61/89/261086189.db2.gz NAHIKEHZBOTTQD-VIFPVBQESA-N -1 3 251.282 1.003 20 10 CDCDHM CNC(=O)CCN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177110272 261332046 /nfs/dbraw/zinc/33/20/46/261332046.db2.gz SJIHOAMFQMFSAA-UHFFFAOYSA-N -1 3 298.770 1.816 20 10 CDCDHM COC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000185648901 262305354 /nfs/dbraw/zinc/30/53/54/262305354.db2.gz QGFOCCLLHYNFLB-JTQLQIEISA-N -1 3 265.309 1.596 20 10 CDCDHM C[C@H](O)C[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000187156557 262387304 /nfs/dbraw/zinc/38/73/04/262387304.db2.gz BQZZUFFZUXAHOL-IUCAKERBSA-N -1 3 253.298 1.235 20 10 CDCDHM Cc1nnc2n1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000371381263 267397382 /nfs/dbraw/zinc/39/73/82/267397382.db2.gz VAEUWGDWZDBGFS-UHFFFAOYSA-N -1 3 278.743 1.961 20 10 CDCDHM CCOCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278529247 328226428 /nfs/dbraw/zinc/22/64/28/328226428.db2.gz UPAFRLNLHJYKNB-UHFFFAOYSA-N -1 3 284.312 1.777 20 10 CDCDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1O ZINC000278565129 328227414 /nfs/dbraw/zinc/22/74/14/328227414.db2.gz BTEGMXPVDCWUAG-JOYOIKCWSA-N -1 3 296.323 1.512 20 10 CDCDHM COCCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000529635715 333502347 /nfs/dbraw/zinc/50/23/47/333502347.db2.gz YMGWLKJWXJYEJG-UHFFFAOYSA-N -1 3 279.336 1.987 20 10 CDCDHM COc1c([O-])c(CN2CCC[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000278261266 521868698 /nfs/dbraw/zinc/86/86/98/521868698.db2.gz QMIBBYPFLSFQBA-CQSZACIVSA-N -1 3 296.323 1.656 20 10 CDCDHM COCCCN(CCO)Cc1c([O-])cccc1Cl ZINC000275962697 523245702 /nfs/dbraw/zinc/24/57/02/523245702.db2.gz KVASZQQKXLXHNV-UHFFFAOYSA-N -1 3 273.760 1.876 20 10 CDCDHM C[C@H]1CCN(Cc2ccccc2[O-])CC[S@@]1=O ZINC000277655737 524298653 /nfs/dbraw/zinc/29/86/53/524298653.db2.gz ORBWSPLDRORWPI-APPDUMDISA-N -1 3 253.367 1.735 20 10 CDCDHM C[C@@H]1CCN(Cc2cc(F)ccc2[O-])CC[S@]1=O ZINC000277418870 524508951 /nfs/dbraw/zinc/50/89/51/524508951.db2.gz ICHDTXOKDKNNGC-MGNBDDOMSA-N -1 3 271.357 1.874 20 10 CDCDHM C[C@@H]1CN(Cc2ccccc2[O-])C[C@H](C)S1(=O)=O ZINC000290762051 525015186 /nfs/dbraw/zinc/01/51/86/525015186.db2.gz BPNHSIVLDONTCE-PHIMTYICSA-N -1 3 269.366 1.400 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(c2cnccn2)CC1 ZINC000732268277 575085027 /nfs/dbraw/zinc/08/50/27/575085027.db2.gz FUFDAKUFYSFULK-UHFFFAOYSA-N -1 3 290.348 1.206 20 10 CDCDHM O=C(NC[C@H](O)c1ccco1)c1cc([O-])cs1 ZINC000732271109 575085287 /nfs/dbraw/zinc/08/52/87/575085287.db2.gz BHIZNXKMYPWPSZ-QMMMGPOBSA-N -1 3 253.279 1.510 20 10 CDCDHM O=C(NCC1N=NC(=S)N1C1CC1)c1cc([O-])cs1 ZINC000732288356 575087132 /nfs/dbraw/zinc/08/71/32/575087132.db2.gz QMQPPZPSKYAMQP-UHFFFAOYSA-N -1 3 296.377 1.599 20 10 CDCDHM CN(Cc1cccc(Br)c1[O-])[C@@H]1CCNC1=O ZINC000770379075 575474823 /nfs/dbraw/zinc/47/48/23/575474823.db2.gz IJXLRZQLXARRRP-SNVBAGLBSA-N -1 3 299.168 1.475 20 10 CDCDHM CC(C)(CO)CCCNC(=O)c1cc([O-])cs1 ZINC000771038246 575535747 /nfs/dbraw/zinc/53/57/47/575535747.db2.gz QMNMPNINCLUJJD-UHFFFAOYSA-N -1 3 257.355 1.982 20 10 CDCDHM CCNC(=O)CN(C)Cc1ccc(OCC)cc1[O-] ZINC000768916190 576317332 /nfs/dbraw/zinc/31/73/32/576317332.db2.gz ULSFWYAJBQLUPP-UHFFFAOYSA-N -1 3 266.341 1.359 20 10 CDCDHM COC(=O)[C@]1(C)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000760152909 576462191 /nfs/dbraw/zinc/46/21/91/576462191.db2.gz YZNBKBGOLWWLOX-GFCCVEGCSA-N -1 3 269.322 1.479 20 10 CDCDHM CCOCCO[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000750540359 576994739 /nfs/dbraw/zinc/99/47/39/576994739.db2.gz YSZKLPZEFCCLMF-NSHDSACASA-N -1 3 285.365 1.721 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000750538392 576994758 /nfs/dbraw/zinc/99/47/58/576994758.db2.gz HJTTWHCXBRADLE-NXEZZACHSA-N -1 3 267.350 1.952 20 10 CDCDHM C[C@@H](Nc1cnn(CCO)c1)c1ccc(F)cc1[O-] ZINC000756856417 577010409 /nfs/dbraw/zinc/01/04/09/577010409.db2.gz PIUNRBGUNPTGNY-SECBINFHSA-N -1 3 265.288 1.893 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCC(CO)(CO)CC1 ZINC000895473144 619683205 /nfs/dbraw/zinc/68/32/05/619683205.db2.gz GIVLXXJYQXNTOY-UHFFFAOYSA-N -1 3 287.306 1.237 20 10 CDCDHM Cc1cc([O-])c(CN2CCO[C@H](CO)C2)cc1Cl ZINC000824782862 694046154 /nfs/dbraw/zinc/04/61/54/694046154.db2.gz NVMCUSFRQVRIGV-NSHDSACASA-N -1 3 271.744 1.547 20 10 CDCDHM COc1c([O-])c(CN2CC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000824533138 688204312 /nfs/dbraw/zinc/20/43/12/688204312.db2.gz BISGZWPJKLHBBS-UHFFFAOYSA-N -1 3 264.281 1.905 20 10 CDCDHM CCNC(=O)CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050148897 692763718 /nfs/dbraw/zinc/76/37/18/692763718.db2.gz ICXBDOFUJXGKLM-UHFFFAOYSA-N -1 3 282.315 1.302 20 10 CDCDHM CCn1cc(NC(=O)c2cccc(O)c2[O-])ccc1=O ZINC000186989973 692859670 /nfs/dbraw/zinc/85/96/70/692859670.db2.gz FISXDTLMBYJBKR-UHFFFAOYSA-N -1 3 274.276 1.532 20 10 CDCDHM O=C(NCc1ccc(O)c(O)c1)c1cncc([O-])c1 ZINC000786408941 693043352 /nfs/dbraw/zinc/04/33/52/693043352.db2.gz KQDXOXSUVJABSN-UHFFFAOYSA-N -1 3 260.249 1.128 20 10 CDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])c(=O)n(C)c1 ZINC000790891552 693179394 /nfs/dbraw/zinc/17/93/94/693179394.db2.gz OMYYIPZUYADQDP-UHFFFAOYSA-N -1 3 274.276 1.357 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000126642184 694583225 /nfs/dbraw/zinc/58/32/25/694583225.db2.gz FOGWUDOMMVDSJQ-UHTWSYAYSA-N -1 3 291.347 1.863 20 10 CDCDHM O=C(N[C@H](CCO)c1ccco1)c1cccc(O)c1[O-] ZINC000193166401 694699563 /nfs/dbraw/zinc/69/95/63/694699563.db2.gz FAOVCRFYKADXAR-SNVBAGLBSA-N -1 3 277.276 1.544 20 10 CDCDHM CN(Cc1nccs1)C(=O)c1cccc(O)c1[O-] ZINC000193118379 694714096 /nfs/dbraw/zinc/71/40/96/694714096.db2.gz IRZHSHWPOURRIB-UHFFFAOYSA-N -1 3 264.306 1.827 20 10 CDCDHM O=C(N[C@@H](CO)c1ccccc1)c1cccc(O)c1[O-] ZINC000126619642 694717183 /nfs/dbraw/zinc/71/71/83/694717183.db2.gz GRSZXTZYCQPRII-LBPRGKRZSA-N -1 3 273.288 1.561 20 10 CDCDHM C[C@H](NCCS(C)(=O)=O)c1c([O-])cccc1F ZINC000886518010 694786094 /nfs/dbraw/zinc/78/60/94/694786094.db2.gz ZTYOFKCVWNHMKU-QMMMGPOBSA-N -1 3 261.318 1.227 20 10 CDCDHM O=C(NCc1ccc(=O)[nH]c1)c1cccc(O)c1[O-] ZINC000185683765 694861746 /nfs/dbraw/zinc/86/17/46/694861746.db2.gz WPXNCCOYWBIPQN-UHFFFAOYSA-N -1 3 260.249 1.128 20 10 CDCDHM C[C@H](Cc1ccncc1)NC(=O)c1cccc(O)c1[O-] ZINC000790864138 694884451 /nfs/dbraw/zinc/88/44/51/694884451.db2.gz KWHBUMSNRDKBRO-SNVBAGLBSA-N -1 3 272.304 1.854 20 10 CDCDHM COC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(=O)[O-] ZINC001606814351 1163999755 /nfs/dbraw/zinc/99/97/55/1163999755.db2.gz DUQSRIQGBMMKHR-SNVBAGLBSA-N -1 3 273.716 1.543 20 10 CDCDHM CCOc1ccc(C[N@H+](CC(=O)[O-])C2CC2)c([O-])c1 ZINC001610043224 1165195512 /nfs/dbraw/zinc/19/55/12/1165195512.db2.gz FPZBNKVTPLDRMK-UHFFFAOYSA-N -1 3 265.309 1.840 20 10 CDCDHM CCOc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)c([O-])c1 ZINC001610043224 1165195517 /nfs/dbraw/zinc/19/55/17/1165195517.db2.gz FPZBNKVTPLDRMK-UHFFFAOYSA-N -1 3 265.309 1.840 20 10 CDCDHM COc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)c(O)c1 ZINC001591601333 1173673335 /nfs/dbraw/zinc/67/33/35/1173673335.db2.gz LGRDNCACMXQOBC-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)c(O)c1 ZINC001591601333 1173673339 /nfs/dbraw/zinc/67/33/39/1173673339.db2.gz LGRDNCACMXQOBC-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1ccc(N(C)Cc2cncc(-c3nnn[n-]3)c2)cc1 ZINC001591609045 1173673354 /nfs/dbraw/zinc/67/33/54/1173673354.db2.gz ZIPYRDVTBYHXRS-UHFFFAOYSA-N -1 3 296.334 1.907 20 10 CDCDHM COc1ccc(N(C)Cc2cncc(-c3nn[n-]n3)c2)cc1 ZINC001591609045 1173673360 /nfs/dbraw/zinc/67/33/60/1173673360.db2.gz ZIPYRDVTBYHXRS-UHFFFAOYSA-N -1 3 296.334 1.907 20 10 CDCDHM CC(C)O[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000706459760 723689640 /nfs/dbraw/zinc/68/96/40/723689640.db2.gz JBCKYNUUIPHPEN-SNVBAGLBSA-N -1 3 265.309 1.737 20 10 CDCDHM COC(=O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126185934 723216137 /nfs/dbraw/zinc/21/61/37/723216137.db2.gz YCTWJVPDTSVCBL-UHFFFAOYSA-N -1 3 279.292 1.123 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(F)(F)[C@H](CO)C1 ZINC000403627075 896567163 /nfs/dbraw/zinc/56/71/63/896567163.db2.gz YXTCKRYYIZOEQS-QMMMGPOBSA-N -1 3 287.262 1.188 20 10 CDCDHM CCn1cc(NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000181960380 916947325 /nfs/dbraw/zinc/94/73/25/916947325.db2.gz YMGIELYRJJMCNR-UHFFFAOYSA-N -1 3 261.281 1.875 20 10 CDCDHM O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1cccc(O)c1[O-] ZINC000834009094 936667559 /nfs/dbraw/zinc/66/75/59/936667559.db2.gz DSDUDSPQXCYKGA-TZMCWYRMSA-N -1 3 291.347 1.625 20 10 CDCDHM CC1(C(N)=O)CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583814 936727735 /nfs/dbraw/zinc/72/77/35/936727735.db2.gz UHFJLDBRFACWIT-UHFFFAOYSA-N -1 3 284.306 1.758 20 10 CDCDHM O=S(=O)(Cc1cccnc1)Nc1ccc([O-])c(F)c1 ZINC001197457937 925153893 /nfs/dbraw/zinc/15/38/93/925153893.db2.gz MDIPEGKMOZXHLP-UHFFFAOYSA-N -1 3 282.296 1.868 20 10 CDCDHM O=C(NC[C@H](CO)CC1CC1)c1cccc(O)c1[O-] ZINC000855916438 928510248 /nfs/dbraw/zinc/51/02/48/928510248.db2.gz NUDQKKSGXCQPPJ-SNVBAGLBSA-N -1 3 265.309 1.236 20 10 CDCDHM Cn1nccc1[C@@H](CO)NCc1cc(F)cc(F)c1[O-] ZINC000883144485 930151885 /nfs/dbraw/zinc/15/18/85/930151885.db2.gz QIWFBBLMIUWJAJ-LLVKDONJSA-N -1 3 283.278 1.227 20 10 CDCDHM Cc1cccc([C@@H](CO)NC(=O)c2cccc(O)c2[O-])c1 ZINC001148224322 932671862 /nfs/dbraw/zinc/67/18/62/932671862.db2.gz HPXWEFXPUBPIAD-CYBMUJFWSA-N -1 3 287.315 1.870 20 10 CDCDHM O=C(Nc1cnn(C(F)F)c1)c1cc(O)c([O-])c(O)c1 ZINC001148583076 932750458 /nfs/dbraw/zinc/75/04/58/932750458.db2.gz RKFFLLROYPSWMY-UHFFFAOYSA-N -1 3 285.206 1.647 20 10 CDCDHM O=C(NCc1ccc2n[nH]cc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148589828 932754914 /nfs/dbraw/zinc/75/49/14/932754914.db2.gz MQHMRBAFHLAFHB-UHFFFAOYSA-N -1 3 299.286 1.610 20 10 CDCDHM O=C(NC1CCC(CO)CC1)c1cccc(O)c1[O-] ZINC000193158474 934666995 /nfs/dbraw/zinc/66/69/95/934666995.db2.gz QRHHUHLEVIWZNK-UHFFFAOYSA-N -1 3 265.309 1.379 20 10 CDCDHM COc1cccc([O-])c1C(=O)NCc1c(O)cccc1O ZINC001156886092 938428981 /nfs/dbraw/zinc/42/89/81/938428981.db2.gz SXKXKUCIYNSMCB-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM CC(=O)[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231454030 942898088 /nfs/dbraw/zinc/89/80/88/942898088.db2.gz SWXKDTIZVRVUDO-LBPRGKRZSA-N -1 3 263.293 1.644 20 10 CDCDHM [O-]c1cc(O)c(CN2CC[C@@](F)(CO)C2)cc1Cl ZINC001232260457 943192034 /nfs/dbraw/zinc/19/20/34/943192034.db2.gz QPMCVNBTXFEHRZ-LBPRGKRZSA-N -1 3 275.707 1.658 20 10 CDCDHM NC(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233074842 943485683 /nfs/dbraw/zinc/48/56/83/943485683.db2.gz YIMFPHGFFPQBPF-UHFFFAOYSA-N -1 3 285.294 1.303 20 10 CDCDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])ccc(F)c1F ZINC001233334172 943546845 /nfs/dbraw/zinc/54/68/45/943546845.db2.gz WXKNYDYPYRKFPA-VXGBXAGGSA-N -1 3 296.317 1.866 20 10 CDCDHM CNC(=O)C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331910 943546906 /nfs/dbraw/zinc/54/69/06/943546906.db2.gz PPKIGVHITAQSOI-UHFFFAOYSA-N -1 3 284.306 1.628 20 10 CDCDHM CNC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452272 943587696 /nfs/dbraw/zinc/58/76/96/943587696.db2.gz PZGJQOPRZFMNGA-UHFFFAOYSA-N -1 3 276.258 1.589 20 10 CDCDHM C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593357271 995006759 /nfs/dbraw/zinc/00/67/59/995006759.db2.gz PJGLGWSBAYJMGP-QWRKXWFKSA-N -1 3 265.309 1.654 20 10 CDCDHM O=C(NC[C@@H]1CCCSC1)c1cccc(O)c1[O-] ZINC000288159135 362067403 /nfs/dbraw/zinc/06/74/03/362067403.db2.gz YWGKBUQNUQNVEF-VIFPVBQESA-N -1 3 267.350 1.971 20 10 CDCDHM CC[C@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000180068365 357241001 /nfs/dbraw/zinc/24/10/01/357241001.db2.gz RJOXGNHCYIDKGZ-NSHDSACASA-N -1 3 252.289 1.242 20 10 CDCDHM COC(=O)CN(C)Cc1cc(Cl)cc(C)c1[O-] ZINC000179710400 357221899 /nfs/dbraw/zinc/22/18/99/357221899.db2.gz RSVKMDBPCVGXDX-UHFFFAOYSA-N -1 3 257.717 1.959 20 10 CDCDHM CN(Cc1cc(F)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179866382 357228887 /nfs/dbraw/zinc/22/88/87/357228887.db2.gz YNASPDCAQHADQE-NSHDSACASA-N -1 3 273.329 1.150 20 10 CDCDHM CN(CC(=O)NC1CC1)Cc1cc(F)ccc1[O-] ZINC000179889021 357229959 /nfs/dbraw/zinc/22/99/59/357229959.db2.gz WHCNIFHJDUGVQL-UHFFFAOYSA-N -1 3 252.289 1.242 20 10 CDCDHM COCCN(CC(=O)N(C)C)Cc1cc(F)ccc1[O-] ZINC000179939919 357231929 /nfs/dbraw/zinc/23/19/29/357231929.db2.gz NDNAVHDEQGEJJV-UHFFFAOYSA-N -1 3 284.331 1.068 20 10 CDCDHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000187037714 357720581 /nfs/dbraw/zinc/72/05/81/357720581.db2.gz XNUNBNXFXJIHPK-BDAKNGLRSA-N -1 3 280.324 1.131 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N(C[C@H]1CCOC1)C1CC1 ZINC000187198309 357740522 /nfs/dbraw/zinc/74/05/22/357740522.db2.gz INJALYSLGQTRKX-SNVBAGLBSA-N -1 3 277.320 1.739 20 10 CDCDHM COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cc(F)ccc1[O-] ZINC000188787842 357937291 /nfs/dbraw/zinc/93/72/91/357937291.db2.gz YPGUNYQQPGBQBA-OLZOCXBDSA-N -1 3 283.299 1.030 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000193135061 365279046 /nfs/dbraw/zinc/27/90/46/365279046.db2.gz SGPIDMVQZJLRJR-SECBINFHSA-N -1 3 265.309 1.643 20 10 CDCDHM Cc1cc(CNCc2cc([N+](=O)[O-])ccc2[O-])n(C)n1 ZINC000283994385 368446696 /nfs/dbraw/zinc/44/66/96/368446696.db2.gz OZRLXGIHZPQUIH-UHFFFAOYSA-N -1 3 276.296 1.632 20 10 CDCDHM CN(Cc1cccc(Cl)c1[O-])[C@@H]1COC[C@H]1O ZINC000289623649 369594657 /nfs/dbraw/zinc/59/46/57/369594657.db2.gz LQPSPLNQTBGUCI-GHMZBOCLSA-N -1 3 257.717 1.237 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@]2(O)CCSC2)c([O-])c1O ZINC000271325723 413039717 /nfs/dbraw/zinc/03/97/17/413039717.db2.gz YFBPANSZPBMROB-ZDUSSCGKSA-N -1 3 283.349 1.004 20 10 CDCDHM CC(C)OC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000369130116 391088635 /nfs/dbraw/zinc/08/86/35/391088635.db2.gz KWXVLKIZWNFXLF-NSHDSACASA-N -1 3 295.335 1.364 20 10 CDCDHM CCOCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177664222 391173707 /nfs/dbraw/zinc/17/37/07/391173707.db2.gz BKSQXWFUCSINHC-UHFFFAOYSA-N -1 3 253.298 1.563 20 10 CDCDHM Cc1ccc(C(=O)N2CCSC[C@H]2C)c([O-])c1O ZINC000182485493 391236428 /nfs/dbraw/zinc/23/64/28/391236428.db2.gz NFUIXHPPMZPKSZ-SECBINFHSA-N -1 3 267.350 1.984 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)c([O-])c1O ZINC000182493658 391236578 /nfs/dbraw/zinc/23/65/78/391236578.db2.gz BTSHLKWYWYBPCZ-PWSUYJOCSA-N -1 3 279.336 1.687 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@H](CC(N)=O)C2)c([O-])c1O ZINC000182546943 391237647 /nfs/dbraw/zinc/23/76/47/391237647.db2.gz PCPYDYJKEAZBPD-SNVBAGLBSA-N -1 3 292.335 1.134 20 10 CDCDHM CCCOc1ccc(CN(C)[C@@H]2CCN(C)C2=O)c([O-])c1 ZINC000271191655 391290417 /nfs/dbraw/zinc/29/04/17/391290417.db2.gz LVHLXDONSDBGKO-CQSZACIVSA-N -1 3 292.379 1.844 20 10 CDCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])CC[S@]1=O ZINC000277671923 391373856 /nfs/dbraw/zinc/37/38/56/391373856.db2.gz WDYIYCFCLHMFTQ-ZRNGKTOUSA-N -1 3 283.349 1.081 20 10 CDCDHM Cc1ccc(C(=O)N2CC([C@@H]3CCOC3)C2)c([O-])c1O ZINC000366863825 225053941 /nfs/dbraw/zinc/05/39/41/225053941.db2.gz JXVMONIEGVPZQU-SNVBAGLBSA-N -1 3 277.320 1.515 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](C2OCCO2)C1 ZINC000280758012 263064126 /nfs/dbraw/zinc/06/41/26/263064126.db2.gz XUCXRCBGCAMNSC-JTQLQIEISA-N -1 3 293.319 1.323 20 10 CDCDHM COc1c([O-])c(CN2CC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000278245131 521871168 /nfs/dbraw/zinc/87/11/68/521871168.db2.gz OOVGMOQJANGFHY-SECBINFHSA-N -1 3 282.296 1.123 20 10 CDCDHM C[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000075414630 524255946 /nfs/dbraw/zinc/25/59/46/524255946.db2.gz JDGRDVWIVVYKQW-SECBINFHSA-N -1 3 298.364 1.388 20 10 CDCDHM NC(=O)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000157068293 527007363 /nfs/dbraw/zinc/00/73/63/527007363.db2.gz BWEMDRHTWNYTQM-QMMMGPOBSA-N -1 3 299.168 1.462 20 10 CDCDHM Cc1cc(O)c(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1C ZINC001600285396 1174437901 /nfs/dbraw/zinc/43/79/01/1174437901.db2.gz AZLGNXGDMKFTCA-NEPJUHHUSA-N -1 3 265.309 1.029 20 10 CDCDHM Cn1cc(C(=O)COC(=O)c2cc([O-])cs2)cn1 ZINC000741320996 575014753 /nfs/dbraw/zinc/01/47/53/575014753.db2.gz RIYFUBPQEYBXCZ-UHFFFAOYSA-N -1 3 266.278 1.227 20 10 CDCDHM NC(=O)Nc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732265783 575084670 /nfs/dbraw/zinc/08/46/70/575084670.db2.gz HPDQAMLCQZWOQS-UHFFFAOYSA-N -1 3 291.332 1.874 20 10 CDCDHM C[C@H](NC(=O)c1cc([O-])cs1)C(=O)OC(C)(C)C ZINC000732290355 575087317 /nfs/dbraw/zinc/08/73/17/575087317.db2.gz UTWPLLRARPXFMN-ZETCQYMHSA-N -1 3 271.338 1.914 20 10 CDCDHM CCOC(=O)C1(CNC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000771601525 575595451 /nfs/dbraw/zinc/59/54/51/575595451.db2.gz KLAKAYPYQPCIRU-UHFFFAOYSA-N -1 3 293.319 1.479 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC2(COC(=O)N2)CC1 ZINC000753504837 575930720 /nfs/dbraw/zinc/93/07/20/575930720.db2.gz KBDYCTUZNIPSHM-UHFFFAOYSA-N -1 3 282.321 1.168 20 10 CDCDHM CCOc1ccc([C@@H]2NC(=O)[C@@H]3CSCCN32)c([O-])c1 ZINC000765518354 576035548 /nfs/dbraw/zinc/03/55/48/576035548.db2.gz BEUZOGYQXZYULM-WCQYABFASA-N -1 3 294.376 1.337 20 10 CDCDHM CS(=O)(=O)CC1(COC(=O)c2cc([O-])cs2)CC1 ZINC000767633147 576213958 /nfs/dbraw/zinc/21/39/58/576213958.db2.gz YUGPCBFQGZTNIA-UHFFFAOYSA-N -1 3 290.362 1.435 20 10 CDCDHM C[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CC(C)(C)O1 ZINC000768441526 576283461 /nfs/dbraw/zinc/28/34/61/576283461.db2.gz DBSYLOXVBRPXTE-IINYFYTJSA-N -1 3 293.363 1.817 20 10 CDCDHM CC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H](C)O1 ZINC000768447272 576284163 /nfs/dbraw/zinc/28/41/63/576284163.db2.gz NXTBZXSBJWEKSM-JVLSTEMRSA-N -1 3 293.363 1.817 20 10 CDCDHM CN1CCN(C(=O)c2cc([O-])cs2)C(C)(C)C1=O ZINC000762815026 576676496 /nfs/dbraw/zinc/67/64/96/576676496.db2.gz JZIIXEOPEHUDNW-UHFFFAOYSA-N -1 3 268.338 1.147 20 10 CDCDHM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cc([O-])cs1 ZINC000753476395 577171690 /nfs/dbraw/zinc/17/16/90/577171690.db2.gz LEQRRIQAPPHUFH-UHFFFAOYSA-N -1 3 289.316 1.966 20 10 CDCDHM CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000820387413 598193959 /nfs/dbraw/zinc/19/39/59/598193959.db2.gz OSVRSVJVVHKIJR-CYBMUJFWSA-N -1 3 267.325 1.990 20 10 CDCDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])C[C@@H]1O ZINC000894597083 618986770 /nfs/dbraw/zinc/98/67/70/618986770.db2.gz URKOWIAIBOXOMF-NSHDSACASA-N -1 3 257.280 1.873 20 10 CDCDHM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(O)c1[O-] ZINC000871207870 620576697 /nfs/dbraw/zinc/57/66/97/620576697.db2.gz GDTRYPULEHRLAL-RNFRBKRXSA-N -1 3 261.199 1.778 20 10 CDCDHM C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000857309006 695289637 /nfs/dbraw/zinc/28/96/37/695289637.db2.gz NWXYKDGWWLZCHA-AUKWLOTRSA-N -1 3 297.376 1.517 20 10 CDCDHM COC(=O)[C@H](C)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000796609034 695473609 /nfs/dbraw/zinc/47/36/09/695473609.db2.gz KVWKTNPARLAYFY-QMMMGPOBSA-N -1 3 283.299 1.727 20 10 CDCDHM CN(Cc1cccnc1)C(=O)c1cccc(O)c1[O-] ZINC000126260839 695547346 /nfs/dbraw/zinc/54/73/46/695547346.db2.gz QJMBPWGRHKRAQX-UHFFFAOYSA-N -1 3 258.277 1.765 20 10 CDCDHM CCC[C@@H](O)CCNC(=O)c1cccc(O)c1[O-] ZINC000832666210 695841127 /nfs/dbraw/zinc/84/11/27/695841127.db2.gz BICSWJVTRXSUSR-SECBINFHSA-N -1 3 253.298 1.379 20 10 CDCDHM COc1cncc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000799124200 695860938 /nfs/dbraw/zinc/86/09/38/695860938.db2.gz MWPHWMPMWJMLQK-UHFFFAOYSA-N -1 3 298.295 1.736 20 10 CDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000844091766 695936659 /nfs/dbraw/zinc/93/66/59/695936659.db2.gz LDIFGGXIULJKDD-JTQLQIEISA-N -1 3 295.335 1.948 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CNCc1nnc(C2CC2)[nH]1 ZINC000883133163 696015501 /nfs/dbraw/zinc/01/55/01/696015501.db2.gz QUSSSFNNGWIPPY-UHFFFAOYSA-N -1 3 280.278 1.956 20 10 CDCDHM COC(=O)[C@@](C)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000776658225 696062865 /nfs/dbraw/zinc/06/28/65/696062865.db2.gz PWXPSIMXLTUBLM-AWEZNQCLSA-N -1 3 279.292 1.169 20 10 CDCDHM C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cccc(O)c1[O-] ZINC000185842920 696142455 /nfs/dbraw/zinc/14/24/55/696142455.db2.gz IPIOCABZTKLSGO-CABZTGNLSA-N -1 3 291.303 1.933 20 10 CDCDHM COC[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OC ZINC000789577531 1162095678 /nfs/dbraw/zinc/09/56/78/1162095678.db2.gz VTBJVFSSYVFLSY-JTQLQIEISA-N -1 3 273.716 1.323 20 10 CDCDHM CC(C)(C)OC(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000790721665 1162169598 /nfs/dbraw/zinc/16/95/98/1162169598.db2.gz OPYCFSFYJGLXRW-UHFFFAOYSA-N -1 3 267.281 1.169 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2nc[nH]n2)c1[O-] ZINC000177139076 724399578 /nfs/dbraw/zinc/39/95/78/724399578.db2.gz ICAGUOAZTLLZML-UHFFFAOYSA-N -1 3 294.742 1.998 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2nnc[nH]2)c1[O-] ZINC000177139076 724399583 /nfs/dbraw/zinc/39/95/83/724399583.db2.gz ICAGUOAZTLLZML-UHFFFAOYSA-N -1 3 294.742 1.998 20 10 CDCDHM COC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])CC1CC1 ZINC000846458092 724441138 /nfs/dbraw/zinc/44/11/38/724441138.db2.gz QOAUZBZCXYPIQV-SNVBAGLBSA-N -1 3 293.319 1.417 20 10 CDCDHM CC(=O)N[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000817415407 723758375 /nfs/dbraw/zinc/75/83/75/723758375.db2.gz SHXULNDRJZAMFJ-VIFPVBQESA-N -1 3 286.734 1.895 20 10 CDCDHM COc1cccc(CNC(=O)c2cccc3n[n-]nc32)c1O ZINC000188551426 723803196 /nfs/dbraw/zinc/80/31/96/723803196.db2.gz CSCFPBYJNDDGDM-UHFFFAOYSA-N -1 3 298.302 1.602 20 10 CDCDHM CC1(O)CN(Cc2ccc(Br)cc2[O-])C1 ZINC000877581293 723804448 /nfs/dbraw/zinc/80/44/48/723804448.db2.gz VIXLUIUVSOZNNZ-UHFFFAOYSA-N -1 3 272.142 1.721 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](CO)O1 ZINC000787418486 723850472 /nfs/dbraw/zinc/85/04/72/723850472.db2.gz WQRMNMXXDLRWFN-NXEZZACHSA-N -1 3 271.744 1.627 20 10 CDCDHM C[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000123448811 723853452 /nfs/dbraw/zinc/85/34/52/723853452.db2.gz IXICDCDZUOUDAH-MRVPVSSYSA-N -1 3 254.717 1.366 20 10 CDCDHM CC(C)OCCCNC(=O)c1cccc(O)c1[O-] ZINC000188911214 723949564 /nfs/dbraw/zinc/94/95/64/723949564.db2.gz XZMKZTNTOOWIOB-UHFFFAOYSA-N -1 3 253.298 1.643 20 10 CDCDHM C[C@@H](Cc1cnn(C)c1)NC(=O)c1cccc(O)c1[O-] ZINC000836980317 724204460 /nfs/dbraw/zinc/20/44/60/724204460.db2.gz QPQUFSZZXXIHEZ-VIFPVBQESA-N -1 3 275.308 1.192 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)C(F)(F)F ZINC000819566871 724186597 /nfs/dbraw/zinc/18/65/97/724186597.db2.gz SUFMTZSGQDYJFG-SSDLBLMSSA-N -1 3 279.214 1.139 20 10 CDCDHM COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])[C@H]2C[C@H]21 ZINC000886409332 725064872 /nfs/dbraw/zinc/06/48/72/725064872.db2.gz RWLHGGQYGLJQEZ-YTWAJWBKSA-N -1 3 291.303 1.025 20 10 CDCDHM CO[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000713144739 725171956 /nfs/dbraw/zinc/17/19/56/725171956.db2.gz KZQHHHVZBRBCAH-NEPJUHHUSA-N -1 3 277.320 1.785 20 10 CDCDHM O=C(NC[C@H]1CCCS1)c1cccc(O)c1[O-] ZINC000126489647 725363826 /nfs/dbraw/zinc/36/38/26/725363826.db2.gz YHNBLCOWLWSPNZ-MRVPVSSYSA-N -1 3 253.323 1.723 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000792180836 725957894 /nfs/dbraw/zinc/95/78/94/725957894.db2.gz VHXTZQKAXRPFHV-ISVAXAHUSA-N -1 3 271.719 1.999 20 10 CDCDHM O=C([O-])[C@]12COC[C@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000854242363 725960854 /nfs/dbraw/zinc/96/08/54/725960854.db2.gz JWJLCCOJMOFOPQ-QMTHXVAHSA-N -1 3 281.283 1.064 20 10 CDCDHM O=C([O-])[C@]12COC[C@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000854242363 725960858 /nfs/dbraw/zinc/96/08/58/725960858.db2.gz JWJLCCOJMOFOPQ-QMTHXVAHSA-N -1 3 281.283 1.064 20 10 CDCDHM CC1(C)O[C@@H]2C[C@@H](NC(=O)c3cccc(O)c3[O-])C[C@@H]2O1 ZINC000885198015 726001885 /nfs/dbraw/zinc/00/18/85/726001885.db2.gz OKHNGVHYUTZCMP-VTYGSRLXSA-N -1 3 293.319 1.510 20 10 CDCDHM [O-]c1c(F)cccc1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001138122404 936473209 /nfs/dbraw/zinc/47/32/09/936473209.db2.gz BZPZKBSQEUHYEP-MWLCHTKSSA-N -1 3 257.280 1.684 20 10 CDCDHM CCCC[C@H](NC(N)=O)C(=O)NCc1c([O-])cccc1F ZINC001156170156 927346494 /nfs/dbraw/zinc/34/64/94/927346494.db2.gz HSDCKTWYEXZFMI-NSHDSACASA-N -1 3 297.330 1.375 20 10 CDCDHM O=C1NC2(CO1)CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139685226 937422381 /nfs/dbraw/zinc/42/23/81/937422381.db2.gz BQHLPCANGGRGHS-UHFFFAOYSA-N -1 3 298.289 1.745 20 10 CDCDHM COC(=O)C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219222 932669790 /nfs/dbraw/zinc/66/97/90/932669790.db2.gz XEILOUFQIAQMJM-JTQLQIEISA-N -1 3 293.319 1.513 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cnccn1 ZINC001148219957 932672004 /nfs/dbraw/zinc/67/20/04/932672004.db2.gz IGLOROAXHGFAIW-QMMMGPOBSA-N -1 3 259.265 1.379 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC(C(F)F)C1 ZINC001148587318 932753167 /nfs/dbraw/zinc/75/31/67/932753167.db2.gz HDKNFDGYZNEJCW-UHFFFAOYSA-N -1 3 259.208 1.141 20 10 CDCDHM C[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2[O-])[C@@H](C)O1 ZINC000686402237 934117953 /nfs/dbraw/zinc/11/79/53/934117953.db2.gz XEMLRWQYJVQBOK-BBBLOLIVSA-N -1 3 265.309 1.641 20 10 CDCDHM O=C(NCCn1ccnc1)NCc1c([O-])cccc1F ZINC001221484935 941538939 /nfs/dbraw/zinc/53/89/39/941538939.db2.gz CUSXMNSHVSZIEG-UHFFFAOYSA-N -1 3 278.287 1.227 20 10 CDCDHM COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445899 942891021 /nfs/dbraw/zinc/89/10/21/942891021.db2.gz CJPZVYDFKFHCEO-LBPRGKRZSA-N -1 3 293.319 1.475 20 10 CDCDHM COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445899 942891024 /nfs/dbraw/zinc/89/10/24/942891024.db2.gz CJPZVYDFKFHCEO-LBPRGKRZSA-N -1 3 293.319 1.475 20 10 CDCDHM COC(=O)CC1CN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231452542 942895997 /nfs/dbraw/zinc/89/59/97/942895997.db2.gz QNTBCPOHFQYCTE-UHFFFAOYSA-N -1 3 279.292 1.085 20 10 CDCDHM CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453021 942896310 /nfs/dbraw/zinc/89/63/10/942896310.db2.gz ABKKCPGAFIOUKS-CYBMUJFWSA-N -1 3 292.335 1.143 20 10 CDCDHM CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453021 942896319 /nfs/dbraw/zinc/89/63/19/942896319.db2.gz ABKKCPGAFIOUKS-CYBMUJFWSA-N -1 3 292.335 1.143 20 10 CDCDHM C[C@]1(CO)CN(Cc2cccc(Cl)c2[O-])CC[C@@H]1O ZINC001231910394 943052295 /nfs/dbraw/zinc/05/22/95/943052295.db2.gz OGWDWQHATOWVSU-GXTWGEPZSA-N -1 3 285.771 1.611 20 10 CDCDHM O=S1CC2(CN(Cc3cc(Cl)c([O-])cc3O)C2)C1 ZINC001232260946 943192870 /nfs/dbraw/zinc/19/28/70/943192870.db2.gz UBMVEXKOIJZIFV-UHFFFAOYSA-N -1 3 287.768 1.316 20 10 CDCDHM Nc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000722213376 944109824 /nfs/dbraw/zinc/10/98/24/944109824.db2.gz WENPKZQQLJYRDL-UHFFFAOYSA-N -1 3 264.306 1.775 20 10 CDCDHM COC(=O)N1CC(NCc2cc(F)c(F)cc2[O-])C1 ZINC001308705754 956564448 /nfs/dbraw/zinc/56/44/48/956564448.db2.gz XGYKEIWTWOKMCB-UHFFFAOYSA-N -1 3 272.251 1.211 20 10 CDCDHM COc1cc(C)c(C[N@H+](C)C[C@H](C)C(=O)[O-])c([O-])c1 ZINC001599390640 997028288 /nfs/dbraw/zinc/02/82/88/997028288.db2.gz HQQNWCXZPDRGOH-JTQLQIEISA-N -1 3 267.325 1.862 20 10 CDCDHM COc1cc(C)c(C[N@@H+](C)C[C@H](C)C(=O)[O-])c([O-])c1 ZINC001599390640 997028305 /nfs/dbraw/zinc/02/83/05/997028305.db2.gz HQQNWCXZPDRGOH-JTQLQIEISA-N -1 3 267.325 1.862 20 10 CDCDHM O=C(/C=C\c1cncc([O-])c1)N1C[C@@H](O)Cc2ccccc21 ZINC000492963297 366187472 /nfs/dbraw/zinc/18/74/72/366187472.db2.gz ZUXVVMVSCCKHHY-YVACAVLKSA-N -1 3 296.326 1.751 20 10 CDCDHM Cn1cnnc1[C@@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000180227794 357253174 /nfs/dbraw/zinc/25/31/74/357253174.db2.gz QHLRBFSPNFCUBF-LBPRGKRZSA-N -1 3 276.315 1.997 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N(C[C@@H]1CCOC1)C1CC1 ZINC000187198291 357740139 /nfs/dbraw/zinc/74/01/39/357740139.db2.gz INJALYSLGQTRKX-JTQLQIEISA-N -1 3 277.320 1.739 20 10 CDCDHM CN(CCCn1ccnc1)C(=O)c1cccc(O)c1[O-] ZINC000187196460 357740453 /nfs/dbraw/zinc/74/04/53/357740453.db2.gz DACFHEKGVUKWDF-UHFFFAOYSA-N -1 3 275.308 1.457 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000193063033 358261354 /nfs/dbraw/zinc/26/13/54/358261354.db2.gz QRWKVVRUYLIGCD-VHSXEESVSA-N -1 3 265.309 1.737 20 10 CDCDHM CN(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1[O-] ZINC000269604953 364261210 /nfs/dbraw/zinc/26/12/10/364261210.db2.gz BQJXARUCWPBVDD-ZDUSSCGKSA-N -1 3 278.352 1.119 20 10 CDCDHM CN(C)c1ccc(CN(Cc2nc(=O)[n-][nH]2)C2CC2)cc1 ZINC000271202377 364974363 /nfs/dbraw/zinc/97/43/63/364974363.db2.gz QYCRMDFYCOHKPA-UHFFFAOYSA-N -1 3 287.367 1.329 20 10 CDCDHM COC(=O)C[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272774436 365390078 /nfs/dbraw/zinc/39/00/78/365390078.db2.gz SZKHFSLLWBSSEB-SNVBAGLBSA-N -1 3 293.319 1.574 20 10 CDCDHM Cc1ccc(C(=O)N2C[C@H](O)C(C)(C)C2)c([O-])c1O ZINC000279779404 367131274 /nfs/dbraw/zinc/13/12/74/367131274.db2.gz NOFBQCZRKWEFPI-JTQLQIEISA-N -1 3 265.309 1.249 20 10 CDCDHM CN(Cc1ccccc1[O-])C[C@@H]1CCCS(=O)(=O)C1 ZINC000284104556 368478853 /nfs/dbraw/zinc/47/88/53/368478853.db2.gz MRFSBQYDQCMQJG-LBPRGKRZSA-N -1 3 283.393 1.649 20 10 CDCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1nncn1C ZINC000286405024 368818769 /nfs/dbraw/zinc/81/87/69/368818769.db2.gz LJQDSFFDGVBEMQ-LLVKDONJSA-N -1 3 290.323 1.353 20 10 CDCDHM Cc1noc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000286470360 368846325 /nfs/dbraw/zinc/84/63/25/368846325.db2.gz GUNCZSUVMPMVSC-SNVBAGLBSA-N -1 3 289.291 1.767 20 10 CDCDHM CN(CCNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000294820223 371093196 /nfs/dbraw/zinc/09/31/96/371093196.db2.gz KIUNZTPLLCVYNS-UHFFFAOYSA-N -1 3 268.288 1.061 20 10 CDCDHM O=C(NCCCCCCO)c1cccc(O)c1[O-] ZINC000193153016 373682628 /nfs/dbraw/zinc/68/26/28/373682628.db2.gz IGCVLFKVRLLQCT-UHFFFAOYSA-N -1 3 253.298 1.380 20 10 CDCDHM COc1ccc(N2CCN(CCCC(=O)[O-])CC2)cc1F ZINC000151359654 374346030 /nfs/dbraw/zinc/34/60/30/374346030.db2.gz JGJXQCJVAIJXHA-UHFFFAOYSA-N -1 3 296.342 1.821 20 10 CDCDHM CN(CCCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000109769793 390648194 /nfs/dbraw/zinc/64/81/94/390648194.db2.gz IDVICRMFIINRCB-UHFFFAOYSA-N -1 3 257.355 1.259 20 10 CDCDHM Cc1ccc(C(=O)N2CCS[C@H](C)C2)c([O-])c1O ZINC000182380753 391234032 /nfs/dbraw/zinc/23/40/32/391234032.db2.gz IASUBFYYJWNHCT-SECBINFHSA-N -1 3 267.350 1.984 20 10 CDCDHM Cc1ccc(C(=O)NCCCCCO)c([O-])c1O ZINC000193362514 391337178 /nfs/dbraw/zinc/33/71/78/391337178.db2.gz ZPNVKQBEERCQJW-UHFFFAOYSA-N -1 3 253.298 1.299 20 10 CDCDHM CNC(=O)[C@]1(C)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000281854004 391413229 /nfs/dbraw/zinc/41/32/29/391413229.db2.gz QHPVEAKBFCAIPA-OAHLLOKOSA-N -1 3 292.335 1.004 20 10 CDCDHM Cc1ccc(C(=O)N(CCO)CC(F)F)c([O-])c1O ZINC000194393004 391357561 /nfs/dbraw/zinc/35/75/61/391357561.db2.gz PMUUKYVGIIRUKA-UHFFFAOYSA-N -1 3 275.251 1.106 20 10 CDCDHM O=C(N[C@H]1CCCSC1)c1cccc(O)c1[O-] ZINC000126558351 264222939 /nfs/dbraw/zinc/22/29/39/264222939.db2.gz OGDOKZNFAWUUJJ-QMMMGPOBSA-N -1 3 253.323 1.723 20 10 CDCDHM Cc1ccc(C(=O)NC[C@](C)(O)C(F)(F)F)c([O-])c1O ZINC000272945576 328201877 /nfs/dbraw/zinc/20/18/77/328201877.db2.gz HQQJMPUAMDGURA-NSHDSACASA-N -1 3 293.241 1.449 20 10 CDCDHM Cc1ccc(C(=O)NCC(C)(C)CCCO)c([O-])c1O ZINC000273042481 328203395 /nfs/dbraw/zinc/20/33/95/328203395.db2.gz VMSSTELMWORWPE-UHFFFAOYSA-N -1 3 281.352 1.935 20 10 CDCDHM COc1cc(Cl)cc(CNCc2nncn2C)c1[O-] ZINC000228670999 329058933 /nfs/dbraw/zinc/05/89/33/329058933.db2.gz CFNQUTJTDMJXOR-UHFFFAOYSA-N -1 3 282.731 1.473 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](CO)C2)c1[O-] ZINC000050132049 518283717 /nfs/dbraw/zinc/28/37/17/518283717.db2.gz RVCCIZDVNNPGQC-LLVKDONJSA-N -1 3 281.327 1.938 20 10 CDCDHM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])N(C)C1CC1 ZINC000276625871 524455957 /nfs/dbraw/zinc/45/59/57/524455957.db2.gz RTLSJRRFERULJA-MRVPVSSYSA-N -1 3 282.315 1.449 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCOC1 ZINC000126569008 525343708 /nfs/dbraw/zinc/34/37/08/525343708.db2.gz LDAJDXXEWZQKKM-RKDXNWHRSA-N -1 3 251.282 1.253 20 10 CDCDHM C[C@H](NC(=O)c1cc([O-])cs1)C(=O)NC(C)(C)C ZINC000731871842 575067781 /nfs/dbraw/zinc/06/77/81/575067781.db2.gz SOICBQNTEWMJRA-ZETCQYMHSA-N -1 3 270.354 1.487 20 10 CDCDHM CC(C)C(=O)NC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732270933 575085316 /nfs/dbraw/zinc/08/53/16/575085316.db2.gz YEQPYFFWKTZDFL-UHFFFAOYSA-N -1 3 296.392 1.831 20 10 CDCDHM COCCN1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732288579 575087192 /nfs/dbraw/zinc/08/71/92/575087192.db2.gz DPDZSTYKSJEPIQ-SNVBAGLBSA-N -1 3 284.381 1.294 20 10 CDCDHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000734179177 575160389 /nfs/dbraw/zinc/16/03/89/575160389.db2.gz UWAOSUAOZMPHIA-NXEZZACHSA-N -1 3 296.392 1.831 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCn2ncnc2C1 ZINC000770664967 575483686 /nfs/dbraw/zinc/48/36/86/575483686.db2.gz YDMZKIPNGNAQKB-UHFFFAOYSA-N -1 3 264.716 1.653 20 10 CDCDHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1cc([O-])cs1 ZINC000736725620 575730066 /nfs/dbraw/zinc/73/00/66/575730066.db2.gz WLEQXDNTBKOBER-QTDQWHRXSA-N -1 3 273.379 1.435 20 10 CDCDHM COCC[C@]1(NC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000773343397 575802654 /nfs/dbraw/zinc/80/26/54/575802654.db2.gz WVILWNJEWHOGKD-AWEZNQCLSA-N -1 3 281.308 1.023 20 10 CDCDHM [O-]c1cccc(Cl)c1CNc1ccn(CCO)n1 ZINC000763459315 576738037 /nfs/dbraw/zinc/73/80/37/576738037.db2.gz JNQHWDAJXOQFQH-UHFFFAOYSA-N -1 3 267.716 1.847 20 10 CDCDHM CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C)Cc2ccccc2[O-])O1 ZINC000833585792 605365413 /nfs/dbraw/zinc/36/54/13/605365413.db2.gz YRXFQYQJCIYMHG-GFCCVEGCSA-N -1 3 277.320 1.972 20 10 CDCDHM CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)Cc2ccccc2[O-])O1 ZINC000833585792 605365417 /nfs/dbraw/zinc/36/54/17/605365417.db2.gz YRXFQYQJCIYMHG-GFCCVEGCSA-N -1 3 277.320 1.972 20 10 CDCDHM C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000235348358 605479974 /nfs/dbraw/zinc/47/99/74/605479974.db2.gz PDCGDVZBSNJZLW-KCJUWKMLSA-N -1 3 253.273 1.684 20 10 CDCDHM C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000235348358 605479977 /nfs/dbraw/zinc/47/99/77/605479977.db2.gz PDCGDVZBSNJZLW-KCJUWKMLSA-N -1 3 253.273 1.684 20 10 CDCDHM CN(CCn1cccn1)Cc1cc(F)cc(F)c1[O-] ZINC000894021214 618245068 /nfs/dbraw/zinc/24/50/68/618245068.db2.gz QJJUPGNIHCZBLP-UHFFFAOYSA-N -1 3 267.279 1.999 20 10 CDCDHM CN(Cc1nnc[nH]1)Cc1cc(F)cc(F)c1[O-] ZINC000894035956 618253556 /nfs/dbraw/zinc/25/35/56/618253556.db2.gz PPCCEERSPPBLFX-UHFFFAOYSA-N -1 3 254.240 1.421 20 10 CDCDHM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(F)cc(F)c1[O-] ZINC000894536531 618954489 /nfs/dbraw/zinc/95/44/89/618954489.db2.gz AFIPUCDRUGJVKE-QWRKXWFKSA-N -1 3 296.317 1.756 20 10 CDCDHM Oc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001582815859 1172695319 /nfs/dbraw/zinc/69/53/19/1172695319.db2.gz BYTFGEJTQCUSOG-UHFFFAOYSA-N -1 3 286.270 1.719 20 10 CDCDHM Oc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001582815859 1172695327 /nfs/dbraw/zinc/69/53/27/1172695327.db2.gz BYTFGEJTQCUSOG-UHFFFAOYSA-N -1 3 286.270 1.719 20 10 CDCDHM O=C([O-])C1=CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC001601740158 1174979467 /nfs/dbraw/zinc/97/94/67/1174979467.db2.gz IHHYHPHZWKLCGI-NSHDSACASA-N -1 3 251.257 1.794 20 10 CDCDHM Cn1cnc(CNCc2c([O-])cccc2Cl)n1 ZINC000125326010 727237133 /nfs/dbraw/zinc/23/71/33/727237133.db2.gz OZWDKSFHKSMYIM-UHFFFAOYSA-N -1 3 252.705 1.464 20 10 CDCDHM CO[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000229413188 726010757 /nfs/dbraw/zinc/01/07/57/726010757.db2.gz IGXHKEWYKVLCBC-MNOVXSKESA-N -1 3 265.309 1.641 20 10 CDCDHM O=C(NCc1cnn2ccccc12)c1cccc(O)c1[O-] ZINC000804445027 726019618 /nfs/dbraw/zinc/01/96/18/726019618.db2.gz DWLIVICOCRDZEK-UHFFFAOYSA-N -1 3 283.287 1.676 20 10 CDCDHM O=C(CNCc1cc(F)cc(F)c1[O-])NC1CCCC1 ZINC000882992855 726051177 /nfs/dbraw/zinc/05/11/77/726051177.db2.gz UIRCVGHREUHUGF-UHFFFAOYSA-N -1 3 284.306 1.819 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000824710678 726179190 /nfs/dbraw/zinc/17/91/90/726179190.db2.gz XVDPOWJJYFZRJK-ZDUSSCGKSA-N -1 3 299.754 1.728 20 10 CDCDHM CCN1CC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000882491767 726225903 /nfs/dbraw/zinc/22/59/03/726225903.db2.gz LIIFRTYDBGIVRF-MRVPVSSYSA-N -1 3 268.288 1.061 20 10 CDCDHM CO[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@@H]1OC ZINC000708414286 726864557 /nfs/dbraw/zinc/86/45/57/726864557.db2.gz PZMCCLAWNGGLOI-TXEJJXNPSA-N -1 3 273.279 1.516 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1ccccc1 ZINC000811541334 726932463 /nfs/dbraw/zinc/93/24/63/726932463.db2.gz YLDSLMCSOXOZRW-QMTHXVAHSA-N -1 3 287.315 1.950 20 10 CDCDHM Cc1cc([O-])c(CN2CCNC(=O)[C@@H]2C)cc1Cl ZINC000824646099 726966747 /nfs/dbraw/zinc/96/67/47/726966747.db2.gz XSINQLBUARDWKI-VIFPVBQESA-N -1 3 268.744 1.674 20 10 CDCDHM O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000859807753 727359165 /nfs/dbraw/zinc/35/91/65/727359165.db2.gz JPLXZSCGAPGRBT-MNOVXSKESA-N -1 3 253.273 1.874 20 10 CDCDHM NC(=O)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192983491 727380701 /nfs/dbraw/zinc/38/07/01/727380701.db2.gz FRVWFQFCJBAXPN-UHFFFAOYSA-N -1 3 286.287 1.378 20 10 CDCDHM CC(C)(C)N1C[C@H](NC(=O)c2cccc(O)c2[O-])CC1=O ZINC000193118984 727434442 /nfs/dbraw/zinc/43/44/42/727434442.db2.gz GIRFTRIBQSHLEQ-SECBINFHSA-N -1 3 292.335 1.227 20 10 CDCDHM NC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000776611891 727441221 /nfs/dbraw/zinc/44/12/21/727441221.db2.gz BSLMOSRVVHNSLR-UHFFFAOYSA-N -1 3 287.275 1.841 20 10 CDCDHM [O-]c1ccc2ccncc2c1CN1CCO[C@H]2C[C@H]21 ZINC000793609898 727444259 /nfs/dbraw/zinc/44/42/59/727444259.db2.gz BTDRRADCSKNLAE-HIFRSBDPSA-N -1 3 256.305 1.914 20 10 CDCDHM CCO[N-]C(=O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000846091453 727452664 /nfs/dbraw/zinc/45/26/64/727452664.db2.gz MLAZPGADIBNKSO-UHFFFAOYSA-N -1 3 288.731 1.212 20 10 CDCDHM C[C@@H]([NH2+]CCCn1cncn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609776394 1165076113 /nfs/dbraw/zinc/07/61/13/1165076113.db2.gz APMZSMMOOUAULO-SNVBAGLBSA-N -1 3 290.323 1.423 20 10 CDCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCO1 ZINC001181587818 917185633 /nfs/dbraw/zinc/18/56/33/917185633.db2.gz TVBAAJYOXLBBKR-NSHDSACASA-N -1 3 292.722 1.999 20 10 CDCDHM CCOC(=O)[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC001140060299 936675739 /nfs/dbraw/zinc/67/57/39/936675739.db2.gz UMTDUPCHZDZSRL-GFCCVEGCSA-N -1 3 283.299 1.295 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CC(C2COC2)C1 ZINC001140580348 936727000 /nfs/dbraw/zinc/72/70/00/936727000.db2.gz YSDXYQDEVPQDHM-UHFFFAOYSA-N -1 3 255.264 1.749 20 10 CDCDHM C[C@]1(CO)CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508747 937024741 /nfs/dbraw/zinc/02/47/41/937024741.db2.gz KDEPRJRIOPUGAP-ZDUSSCGKSA-N -1 3 257.280 1.875 20 10 CDCDHM CC(=O)NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508861 937025325 /nfs/dbraw/zinc/02/53/25/937025325.db2.gz OHDZNUYYRLEOCZ-UHFFFAOYSA-N -1 3 284.306 1.771 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)C1=C[S@](=O)CCC1 ZINC001156178096 927363964 /nfs/dbraw/zinc/36/39/64/927363964.db2.gz VJYVKKBSLYPPBA-LJQANCHMSA-N -1 3 283.324 1.574 20 10 CDCDHM C[C@@H](NCc1cnnn1C)c1c([O-])cccc1F ZINC000886610771 930921137 /nfs/dbraw/zinc/92/11/37/930921137.db2.gz JMANUBDZGROUEN-MRVPVSSYSA-N -1 3 250.277 1.511 20 10 CDCDHM Cc1cc(C)n(CCNC(=O)c2cccc(O)c2[O-])n1 ZINC001148213156 932669118 /nfs/dbraw/zinc/66/91/18/932669118.db2.gz YKZPCYOAWRDVRQ-UHFFFAOYSA-N -1 3 275.308 1.341 20 10 CDCDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)n(CCF)n1 ZINC001148582810 932750213 /nfs/dbraw/zinc/75/02/13/932750213.db2.gz MJPMUVRLUVJLDT-UHFFFAOYSA-N -1 3 295.270 1.530 20 10 CDCDHM C[C@@H]1CC[C@H](CO)CN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583067 932750392 /nfs/dbraw/zinc/75/03/92/932750392.db2.gz RHUGMDBMIQKDQH-BDAKNGLRSA-N -1 3 281.308 1.036 20 10 CDCDHM O=C(NCc1nccc(Cl)n1)c1cc(O)c([O-])c(O)c1 ZINC001148589523 932752392 /nfs/dbraw/zinc/75/23/92/932752392.db2.gz AGMNSGAHVHNLNS-UHFFFAOYSA-N -1 3 295.682 1.177 20 10 CDCDHM C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cnn(C)c1 ZINC001148590107 932754702 /nfs/dbraw/zinc/75/47/02/932754702.db2.gz XGFZJJASWDXDPR-ZETCQYMHSA-N -1 3 277.280 1.028 20 10 CDCDHM COCC1(O)CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001118577210 937643075 /nfs/dbraw/zinc/64/30/75/937643075.db2.gz BXDAPBIPJUVDNN-UHFFFAOYSA-N -1 3 271.744 1.547 20 10 CDCDHM NC(=O)c1cc2c([nH]1)CN(Cc1cc(F)ccc1[O-])CC2 ZINC001278255263 945216123 /nfs/dbraw/zinc/21/61/23/945216123.db2.gz RGQKQTUZXXXVEZ-UHFFFAOYSA-N -1 3 289.310 1.517 20 10 CDCDHM O=C(NCCC[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000401402816 940868780 /nfs/dbraw/zinc/86/87/80/940868780.db2.gz PBWBDNQGCMPZQU-JTQLQIEISA-N -1 3 265.309 1.644 20 10 CDCDHM O=C([O-])c1ccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001231448894 942894013 /nfs/dbraw/zinc/89/40/13/942894013.db2.gz DSVDRFJWMYRBKL-PWSUYJOCSA-N -1 3 299.273 1.556 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@]23CCOC3)c([O-])c1 ZINC001231452498 942895840 /nfs/dbraw/zinc/89/58/40/942895840.db2.gz BCSPAJLXLSCZRS-CQSZACIVSA-N -1 3 263.293 1.455 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@]23CCOC3)c([O-])c1 ZINC001231452498 942895842 /nfs/dbraw/zinc/89/58/42/942895842.db2.gz BCSPAJLXLSCZRS-CQSZACIVSA-N -1 3 263.293 1.455 20 10 CDCDHM CC(=O)[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453913 942897765 /nfs/dbraw/zinc/89/77/65/942897765.db2.gz LZKPXOXNVUMGOI-NSHDSACASA-N -1 3 263.293 1.501 20 10 CDCDHM CC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453913 942897767 /nfs/dbraw/zinc/89/77/67/942897767.db2.gz LZKPXOXNVUMGOI-NSHDSACASA-N -1 3 263.293 1.501 20 10 CDCDHM O=C([O-])c1ccc(CN2CCOC[C@H]2C2CC2)c(O)c1 ZINC001231453827 942899602 /nfs/dbraw/zinc/89/96/02/942899602.db2.gz KVSITUWMKLIHBB-ZDUSSCGKSA-N -1 3 277.320 1.701 20 10 CDCDHM [O-]c1cc(O)c(CN2C[C@H](CO)C[C@H](F)C2)cc1Cl ZINC001232260424 943192540 /nfs/dbraw/zinc/19/25/40/943192540.db2.gz QADPWNFGSQMMMI-SCZZXKLOSA-N -1 3 289.734 1.904 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](O)[C@H](F)CC1 ZINC001233332525 943547065 /nfs/dbraw/zinc/54/70/65/943547065.db2.gz ODDFPSLHBFCUEA-BXKDBHETSA-N -1 3 275.270 1.965 20 10 CDCDHM CCN1C[C@@H]2C[C@H]1CN2Cc1c([O-])ccc(F)c1F ZINC001233336743 943548687 /nfs/dbraw/zinc/54/86/87/943548687.db2.gz XUZDXMGXEODRJJ-UWVGGRQHSA-N -1 3 268.307 1.949 20 10 CDCDHM Cc1cc(Br)c([O-])c(CN2CC(C(N)=O)C2)c1 ZINC001236668490 944541646 /nfs/dbraw/zinc/54/16/46/944541646.db2.gz FGMAJKLLRQSVRR-UHFFFAOYSA-N -1 3 299.168 1.380 20 10 CDCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H](CO)[C@@H](O)C1 ZINC001237933597 945007517 /nfs/dbraw/zinc/00/75/17/945007517.db2.gz DORMZNVDLNOWNF-OQPBUACISA-N -1 3 289.734 1.360 20 10 CDCDHM O=c1cc2c(n[nH]1)CCN(Cc1cc(F)cc(F)c1[O-])C2 ZINC001331994778 957388630 /nfs/dbraw/zinc/38/86/30/957388630.db2.gz PSLKWENRXGKUSQ-UHFFFAOYSA-N -1 3 293.273 1.724 20 10 CDCDHM COc1cc(C)c(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001594054295 958012506 /nfs/dbraw/zinc/01/25/06/958012506.db2.gz UYRYGAHYSZRIFJ-JTQLQIEISA-N -1 3 265.309 1.616 20 10 CDCDHM COc1cc(C)c(C[N@H+]2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001594054295 958012518 /nfs/dbraw/zinc/01/25/18/958012518.db2.gz UYRYGAHYSZRIFJ-JTQLQIEISA-N -1 3 265.309 1.616 20 10 CDCDHM COc1cccc([O-])c1C[NH2+]CCC(C)(C)C(=O)[O-] ZINC001594131618 958679144 /nfs/dbraw/zinc/67/91/44/958679144.db2.gz HBWRYHPLQAAJQJ-UHFFFAOYSA-N -1 3 267.325 1.991 20 10 CDCDHM CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001598640424 994310402 /nfs/dbraw/zinc/31/04/02/994310402.db2.gz XULYLCCBJHQQKS-DTWKUNHWSA-N -1 3 280.324 1.266 20 10 CDCDHM COc1cccc([O-])c1C[NH2+][C@@H]1CC=C(C(=O)[O-])C1 ZINC001599680160 994966368 /nfs/dbraw/zinc/96/63/68/994966368.db2.gz CTUBZOLKFRAOFI-SNVBAGLBSA-N -1 3 263.293 1.664 20 10 CDCDHM COc1cccc([O-])c1C[N@H+](CC(=O)[O-])C1CC1 ZINC001599680489 994972889 /nfs/dbraw/zinc/97/28/89/994972889.db2.gz TZFXDTUVPMRRDF-UHFFFAOYSA-N -1 3 251.282 1.450 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+](CC(=O)[O-])C1CC1 ZINC001599680489 994972898 /nfs/dbraw/zinc/97/28/98/994972898.db2.gz TZFXDTUVPMRRDF-UHFFFAOYSA-N -1 3 251.282 1.450 20 10 CDCDHM COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599248920 998195233 /nfs/dbraw/zinc/19/52/33/998195233.db2.gz ACNPNDIFBDOXKR-MNOVXSKESA-N -1 3 297.351 1.793 20 10 CDCDHM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cccc(O)c1[O-] ZINC000294389404 199021281 /nfs/dbraw/zinc/02/12/81/199021281.db2.gz SLTNWJGWIKSHAS-OTYXRUKQSA-N -1 3 265.309 1.379 20 10 CDCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1COC[C@H]1O ZINC000294819856 199198521 /nfs/dbraw/zinc/19/85/21/199198521.db2.gz XMCVEYHMSSGLSF-ZYHUDNBSSA-N -1 3 275.707 1.376 20 10 CDCDHM CN(CC(=O)NCc1cccnc1)Cc1ccccc1[O-] ZINC000111235756 359197801 /nfs/dbraw/zinc/19/78/01/359197801.db2.gz WPIGMCQVDZOJKU-UHFFFAOYSA-N -1 3 285.347 1.535 20 10 CDCDHM C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000229417047 360084767 /nfs/dbraw/zinc/08/47/67/360084767.db2.gz CFEIRHXPQZJZER-DTWKUNHWSA-N -1 3 251.282 1.395 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C(N)=O)O1 ZINC000271247948 364977534 /nfs/dbraw/zinc/97/75/34/364977534.db2.gz CWJKXSRKSXVVSN-PRHODGIISA-N -1 3 284.743 1.120 20 10 CDCDHM Cc1ccc(C(=O)N2CCC(C)(O)CC2)c([O-])c1O ZINC000272791653 365399042 /nfs/dbraw/zinc/39/90/42/365399042.db2.gz WUFWOXHUPOFORR-UHFFFAOYSA-N -1 3 265.309 1.393 20 10 CDCDHM C[C@H](NCc1nnc2n1CCC2)c1cc(F)ccc1[O-] ZINC000273303120 365484335 /nfs/dbraw/zinc/48/43/35/365484335.db2.gz CCRRNKKHJYJDQA-VIFPVBQESA-N -1 3 276.315 1.920 20 10 CDCDHM C[C@H]1C[C@@H](O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000293998241 378608126 /nfs/dbraw/zinc/60/81/26/378608126.db2.gz WZMDNVJDJNCHTG-IUCAKERBSA-N -1 3 251.282 1.083 20 10 CDCDHM CCOC(=O)[C@H](F)C1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000294144321 378615525 /nfs/dbraw/zinc/61/55/25/378615525.db2.gz LTIXIOIMCUGCCU-LLVKDONJSA-N -1 3 297.282 1.071 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H](C)CCCO)c([O-])c1O ZINC000296007896 378706627 /nfs/dbraw/zinc/70/66/27/378706627.db2.gz LAADNFUHXMRDGC-SECBINFHSA-N -1 3 267.325 1.545 20 10 CDCDHM CC(C)CNC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109773001 390648017 /nfs/dbraw/zinc/64/80/17/390648017.db2.gz YGXKNSDYFAYYRH-LBPRGKRZSA-N -1 3 264.369 1.985 20 10 CDCDHM CCN(C)C(=O)CNCc1c([O-])cccc1Cl ZINC000229522281 390942518 /nfs/dbraw/zinc/94/25/18/390942518.db2.gz DMHKOMLGANUNBJ-UHFFFAOYSA-N -1 3 256.733 1.614 20 10 CDCDHM NC(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000183468151 391265766 /nfs/dbraw/zinc/26/57/66/391265766.db2.gz JZGXULPZXTZRFA-UHFFFAOYSA-N -1 3 268.744 1.743 20 10 CDCDHM [O-]c1cc2c(cc1CN1CCC[C@@H]1c1ncon1)OCO2 ZINC000360156389 391643252 /nfs/dbraw/zinc/64/32/52/391643252.db2.gz CTJWWQSVXCKUMW-SNVBAGLBSA-N -1 3 289.291 1.841 20 10 CDCDHM COc1ccc([O-])c([C@@H]2NC(=O)CN2CC(C)C)c1 ZINC000298795787 260162708 /nfs/dbraw/zinc/16/27/08/260162708.db2.gz SXMQRAPOEQWDKY-CQSZACIVSA-N -1 3 264.325 1.487 20 10 CDCDHM CN(CCOCC1CC1)C(=O)c1cccc(O)c1[O-] ZINC000126486791 260353277 /nfs/dbraw/zinc/35/32/77/260353277.db2.gz SHEGWMVENASWJF-UHFFFAOYSA-N -1 3 265.309 1.596 20 10 CDCDHM Cc1noc(C)c1CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177676361 261712211 /nfs/dbraw/zinc/71/22/11/261712211.db2.gz WZHXXZVQQCSXKC-UHFFFAOYSA-N -1 3 276.292 1.941 20 10 CDCDHM CNC(=O)CCN(C)Cc1c([O-])cccc1Cl ZINC000219773887 262350510 /nfs/dbraw/zinc/35/05/10/262350510.db2.gz FGIWQZIRPXBCHK-UHFFFAOYSA-N -1 3 256.733 1.614 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](O)C12CCCC2 ZINC000294132062 304549313 /nfs/dbraw/zinc/54/93/13/304549313.db2.gz KXYRCWBOMZNTER-GFCCVEGCSA-N -1 3 277.320 1.617 20 10 CDCDHM O=C(/C=C\c1cncc([O-])c1)N1C[C@H](CO)c2ccccc21 ZINC000492975441 332420864 /nfs/dbraw/zinc/42/08/64/332420864.db2.gz VBEBRMDIYMJVAA-CFHLNLSMSA-N -1 3 296.326 1.923 20 10 CDCDHM CC(C)c1nnc([C@@H](C)NC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000280043499 519866066 /nfs/dbraw/zinc/86/60/66/519866066.db2.gz ZMXQSDHBAWPRBO-MRVPVSSYSA-N -1 3 290.323 1.830 20 10 CDCDHM Cc1ccc(C(=O)N(C)CCCCCO)c([O-])c1O ZINC000279629025 526058253 /nfs/dbraw/zinc/05/82/53/526058253.db2.gz YYMZJRQYUOSJSE-UHFFFAOYSA-N -1 3 267.325 1.641 20 10 CDCDHM O=C(NC1CCN(CC(F)F)CC1)c1cc([O-])cs1 ZINC000731872861 575067554 /nfs/dbraw/zinc/06/75/54/575067554.db2.gz SIUGHKBDAHYIOW-UHFFFAOYSA-N -1 3 290.335 1.913 20 10 CDCDHM CCOC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000731866780 575068463 /nfs/dbraw/zinc/06/84/63/575068463.db2.gz XXKNICIEGUGBRB-SECBINFHSA-N -1 3 283.349 1.869 20 10 CDCDHM C[C@H]1CN(CCCNC(=O)c2cc([O-])cs2)C[C@H](C)O1 ZINC000731867711 575068610 /nfs/dbraw/zinc/06/86/10/575068610.db2.gz QPFHIVFOMXEXCM-QWRGUYRKSA-N -1 3 298.408 1.683 20 10 CDCDHM COc1ccc(CNC(=O)c2cc([O-])cs2)cn1 ZINC000732263662 575084574 /nfs/dbraw/zinc/08/45/74/575084574.db2.gz IWCWYBKBJAQTTB-UHFFFAOYSA-N -1 3 264.306 1.787 20 10 CDCDHM C[C@H](NC(=O)c1cc([O-])cs1)[C@H](C)N1CCOCC1 ZINC000732288368 575087199 /nfs/dbraw/zinc/08/71/99/575087199.db2.gz QYVOEBKCQHQGBE-UWVGGRQHSA-N -1 3 284.381 1.293 20 10 CDCDHM CC[C@H]1C(=O)NCCN1Cc1c([O-])cccc1OC ZINC000769320120 575345313 /nfs/dbraw/zinc/34/53/13/575345313.db2.gz IFYLLHWOHXEDET-NSHDSACASA-N -1 3 264.325 1.111 20 10 CDCDHM COc1cccc([O-])c1CN1CCC[C@H]1c1nncn1C ZINC000769525333 575356354 /nfs/dbraw/zinc/35/63/54/575356354.db2.gz TWJANHSPLIQKLY-LBPRGKRZSA-N -1 3 288.351 1.866 20 10 CDCDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc([O-])cs1 ZINC000736710373 575726854 /nfs/dbraw/zinc/72/68/54/575726854.db2.gz OUELCSHLJOURLV-YUMQZZPRSA-N -1 3 289.378 1.101 20 10 CDCDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cc([O-])cs1 ZINC000736725623 575729861 /nfs/dbraw/zinc/72/98/61/575729861.db2.gz WLEQXDNTBKOBER-ZEAWXOLYSA-N -1 3 273.379 1.435 20 10 CDCDHM COCC[C@@]1(NC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000773343398 575802674 /nfs/dbraw/zinc/80/26/74/575802674.db2.gz WVILWNJEWHOGKD-CQSZACIVSA-N -1 3 281.308 1.023 20 10 CDCDHM CC(C)C(=O)NCCN(C)C(=O)c1cc([O-])cs1 ZINC000768559442 576295886 /nfs/dbraw/zinc/29/58/86/576295886.db2.gz NMAZGVWIQXSXSS-UHFFFAOYSA-N -1 3 270.354 1.298 20 10 CDCDHM Cc1c(CNC(=O)c2cc([O-])cs2)cnn1C ZINC000760809349 576512346 /nfs/dbraw/zinc/51/23/46/576512346.db2.gz ZKJZZLTUAQXKAB-UHFFFAOYSA-N -1 3 251.311 1.426 20 10 CDCDHM C[C@H](O)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000747617033 576877023 /nfs/dbraw/zinc/87/70/23/576877023.db2.gz NYOOQXZDFDWIRM-DTWKUNHWSA-N -1 3 255.339 1.687 20 10 CDCDHM O=C(N[C@H](CO)Cc1ccc(O)cc1)c1cc([O-])cs1 ZINC000757672555 577050074 /nfs/dbraw/zinc/05/00/74/577050074.db2.gz UTGGEPXSQPWXON-JTQLQIEISA-N -1 3 293.344 1.493 20 10 CDCDHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N1CCCCC1 ZINC000758782141 577132841 /nfs/dbraw/zinc/13/28/41/577132841.db2.gz NBTSTBHMTYWLBB-UHFFFAOYSA-N -1 3 298.364 1.737 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCSC[C@@H]1CCO ZINC000894088307 618372986 /nfs/dbraw/zinc/37/29/86/618372986.db2.gz KQJJYXPOSIMDPA-NSHDSACASA-N -1 3 289.347 1.970 20 10 CDCDHM Cc1cc([O-])c(CN2CCn3nncc3C2)cc1Cl ZINC000826535063 618596746 /nfs/dbraw/zinc/59/67/46/618596746.db2.gz RAUMRBBDKJCBQJ-UHFFFAOYSA-N -1 3 278.743 1.961 20 10 CDCDHM COC[C@]1(CO)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894928069 619148782 /nfs/dbraw/zinc/14/87/82/619148782.db2.gz HOYLCJFDANSCIP-CQSZACIVSA-N -1 3 287.306 1.501 20 10 CDCDHM Cn1cnnc1CNCc1cccc(Br)c1[O-] ZINC000042412544 623943807 /nfs/dbraw/zinc/94/38/07/623943807.db2.gz KMDLVZLSXICJDZ-UHFFFAOYSA-N -1 3 297.156 1.573 20 10 CDCDHM O=C(NCC1(Br)CC1)c1cccc(O)c1[O-] ZINC000910211905 628920108 /nfs/dbraw/zinc/92/01/08/628920108.db2.gz JSBNXXQTJICFBM-UHFFFAOYSA-N -1 3 286.125 1.755 20 10 CDCDHM O=C([O-])[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001601807978 1175016965 /nfs/dbraw/zinc/01/69/65/1175016965.db2.gz JPLXZSCGAPGRBT-GHMZBOCLSA-N -1 3 253.273 1.874 20 10 CDCDHM CC(=O)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC001602912473 1175446348 /nfs/dbraw/zinc/44/63/48/1175446348.db2.gz QXXLEBGLFSGYAY-UHFFFAOYSA-N -1 3 262.294 1.117 20 10 CDCDHM CC(=O)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC001602912473 1175446354 /nfs/dbraw/zinc/44/63/54/1175446354.db2.gz QXXLEBGLFSGYAY-UHFFFAOYSA-N -1 3 262.294 1.117 20 10 CDCDHM Cc1cc(O)c(CN2CCC[C@H](O)[C@H]2C(=O)[O-])cc1C ZINC001607700315 1164274268 /nfs/dbraw/zinc/27/42/68/1164274268.db2.gz VPSLZVJRULIJHL-JSGCOSHPSA-N -1 3 279.336 1.419 20 10 CDCDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)C(C)C ZINC000842589204 728845212 /nfs/dbraw/zinc/84/52/12/728845212.db2.gz SPCVGPVEDVITFJ-GFCCVEGCSA-N -1 3 291.344 1.944 20 10 CDCDHM CC(C)OC(=O)CCCNC(=O)c1cccc(O)c1[O-] ZINC000790933920 729070124 /nfs/dbraw/zinc/07/01/24/729070124.db2.gz AJSRRXXDVCQGFY-UHFFFAOYSA-N -1 3 281.308 1.559 20 10 CDCDHM O=S(=O)(CCOCC1CC1)[N-]c1ccc(O)cc1F ZINC000818049202 729322401 /nfs/dbraw/zinc/32/24/01/729322401.db2.gz WOPALEXKWNXZRN-UHFFFAOYSA-N -1 3 289.328 1.700 20 10 CDCDHM O=C(N[C@]12C[C@H]1COC21CCC1)c1cccc(O)c1[O-] ZINC000887127956 729488787 /nfs/dbraw/zinc/48/87/87/729488787.db2.gz FQSZMQIQMSFVMH-BJOHPYRUSA-N -1 3 275.304 1.539 20 10 CDCDHM C[C@@H]1C[C@H](O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000705139327 729725221 /nfs/dbraw/zinc/72/52/21/729725221.db2.gz WZMDNVJDJNCHTG-RKDXNWHRSA-N -1 3 251.282 1.083 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1C1OCCO1 ZINC000790621370 730007279 /nfs/dbraw/zinc/00/72/79/730007279.db2.gz ODPZTQIIWGTGDI-NSHDSACASA-N -1 3 293.319 1.465 20 10 CDCDHM Cc1ccc(C(=O)N2C[C@H](O)Cc3ccccc32)c([O-])c1O ZINC000790159327 730389852 /nfs/dbraw/zinc/38/98/52/730389852.db2.gz YCNMGUXDSPFSDM-GFCCVEGCSA-N -1 3 299.326 1.970 20 10 CDCDHM CCNC(=O)CN(C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824602165 730390574 /nfs/dbraw/zinc/39/05/74/730390574.db2.gz RKPRXJLXECBAHR-UHFFFAOYSA-N -1 3 270.760 1.922 20 10 CDCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000848310214 730413772 /nfs/dbraw/zinc/41/37/72/730413772.db2.gz WIQZXGSXLTXROE-SECBINFHSA-N -1 3 295.335 1.805 20 10 CDCDHM [O-]c1c(F)cccc1CN1C[C@@H](F)C[C@H](CO)C1 ZINC001138122405 936473653 /nfs/dbraw/zinc/47/36/53/936473653.db2.gz BZPZKBSQEUHYEP-ONGXEEELSA-N -1 3 257.280 1.684 20 10 CDCDHM COC(=O)CC1CN(Cc2cccc(F)c2[O-])C1 ZINC001138127922 936474373 /nfs/dbraw/zinc/47/43/73/936474373.db2.gz VZIWIBYCQGGOBK-UHFFFAOYSA-N -1 3 253.273 1.526 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1CC2(COC2)C1 ZINC001203635915 919980387 /nfs/dbraw/zinc/98/03/87/919980387.db2.gz LAILJFQLWSJXCO-UHFFFAOYSA-N -1 3 284.153 1.987 20 10 CDCDHM O=C(NCc1ccccc1O)c1ccccc1-c1nnn[n-]1 ZINC001187007154 920288504 /nfs/dbraw/zinc/28/85/04/920288504.db2.gz RQMTWKFUNPBWFC-UHFFFAOYSA-N -1 3 295.302 1.502 20 10 CDCDHM O=C(NCc1ccccc1O)c1ccccc1-c1nn[n-]n1 ZINC001187007154 920288523 /nfs/dbraw/zinc/28/85/23/920288523.db2.gz RQMTWKFUNPBWFC-UHFFFAOYSA-N -1 3 295.302 1.502 20 10 CDCDHM O=C1CN(Cc2c([O-])cccc2Br)CCO1 ZINC001140102991 936679098 /nfs/dbraw/zinc/67/90/98/936679098.db2.gz CRIMCLAKQTXIMV-UHFFFAOYSA-N -1 3 286.125 1.514 20 10 CDCDHM COC(=O)[C@H]1CN(C)CCN1Cc1c([O-])cccc1Cl ZINC001140342801 936703848 /nfs/dbraw/zinc/70/38/48/936703848.db2.gz YXBSAIBJKARBQN-GFCCVEGCSA-N -1 3 298.770 1.335 20 10 CDCDHM C[C@@]1(O)COCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508911 937024919 /nfs/dbraw/zinc/02/49/19/937024919.db2.gz PPBBAQXKUDSHRI-ZDUSSCGKSA-N -1 3 273.279 1.254 20 10 CDCDHM C[C@]1(CO)CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148212044 932668114 /nfs/dbraw/zinc/66/81/14/932668114.db2.gz JAWXYWURBFEUOR-HNNXBMFYSA-N -1 3 279.336 1.723 20 10 CDCDHM CN(CC(F)(F)F)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148579832 932748998 /nfs/dbraw/zinc/74/89/98/932748998.db2.gz AXWJUIZZPUGAQB-UHFFFAOYSA-N -1 3 265.187 1.438 20 10 CDCDHM COC(C)(C)[C@@H]1CCCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584626 932752300 /nfs/dbraw/zinc/75/23/00/932752300.db2.gz WLAQRCJMPFKLOC-LBPRGKRZSA-N -1 3 295.335 1.833 20 10 CDCDHM O=C(NC1(c2cccnc2)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148589691 932752717 /nfs/dbraw/zinc/75/27/17/932752717.db2.gz HHWCZRAZTHUYLT-UHFFFAOYSA-N -1 3 286.287 1.618 20 10 CDCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cn1 ZINC000795349212 934804046 /nfs/dbraw/zinc/80/40/46/934804046.db2.gz WJZRAAOPQDTFQQ-UHFFFAOYSA-N -1 3 298.295 1.736 20 10 CDCDHM CN1C[C@@H]2CN(Cc3c([O-])cccc3F)C[C@H](C1)O2 ZINC001276354560 935042438 /nfs/dbraw/zinc/04/24/38/935042438.db2.gz XLSGRYLVFKKFKJ-PHIMTYICSA-N -1 3 266.316 1.046 20 10 CDCDHM CN(C)C(=O)[C@H]1CC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001277456838 942622494 /nfs/dbraw/zinc/62/24/94/942622494.db2.gz DDSBUNUOLQFFCU-GFCCVEGCSA-N -1 3 294.782 1.956 20 10 CDCDHM CN(C)C(=O)[C@H]1CC12CN(Cc1c([O-])cccc1F)C2 ZINC001277485091 942779382 /nfs/dbraw/zinc/77/93/82/942779382.db2.gz XTCFCHPKKZUXGD-LLVKDONJSA-N -1 3 278.327 1.441 20 10 CDCDHM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCCC1=O ZINC001231446339 942891697 /nfs/dbraw/zinc/89/16/97/942891697.db2.gz HDOJDVNJMQZGOG-JTQLQIEISA-N -1 3 277.320 1.891 20 10 CDCDHM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCCC1=O ZINC001231446339 942891700 /nfs/dbraw/zinc/89/17/00/942891700.db2.gz HDOJDVNJMQZGOG-JTQLQIEISA-N -1 3 277.320 1.891 20 10 CDCDHM C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@H]1O ZINC001231560463 942926471 /nfs/dbraw/zinc/92/64/71/942926471.db2.gz IQRJFSSLFJESIK-ZWNOBZJWSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@H]1O ZINC001231560463 942926478 /nfs/dbraw/zinc/92/64/78/942926478.db2.gz IQRJFSSLFJESIK-ZWNOBZJWSA-N -1 3 279.336 1.683 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC001231565202 942929484 /nfs/dbraw/zinc/92/94/84/942929484.db2.gz ARZQCLQFXUAGGP-IKARSPCKSA-N -1 3 289.331 1.700 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC001231565202 942929491 /nfs/dbraw/zinc/92/94/91/942929491.db2.gz ARZQCLQFXUAGGP-IKARSPCKSA-N -1 3 289.331 1.700 20 10 CDCDHM C[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC001233076816 943485455 /nfs/dbraw/zinc/48/54/55/943485455.db2.gz VMVXUOPKNULJHK-KCJUWKMLSA-N -1 3 257.280 1.873 20 10 CDCDHM COc1cc(O)ccc1[N-]S(=O)(=O)C1CCOCC1 ZINC001259916122 945700020 /nfs/dbraw/zinc/70/00/20/945700020.db2.gz OJYKGICUFWTHHV-UHFFFAOYSA-N -1 3 287.337 1.322 20 10 CDCDHM CCOC(=O)CC[C@H](C)NCC(=O)c1ccc([O-])c(O)c1 ZINC001258480491 948875062 /nfs/dbraw/zinc/87/50/62/948875062.db2.gz BQCQBGDKHIIPGL-JTQLQIEISA-N -1 3 295.335 1.602 20 10 CDCDHM CCOc1ccc(C[NH2+][C@@H](C)CC(=O)[O-])c([O-])c1 ZINC001592663086 951342735 /nfs/dbraw/zinc/34/27/35/951342735.db2.gz DLIXDFZIDFOZCH-VIFPVBQESA-N -1 3 253.298 1.744 20 10 CDCDHM Cc1c(C(=O)[N-]c2c3nonc3ccc2Cl)nnn1C ZINC001342952668 963870266 /nfs/dbraw/zinc/87/02/66/963870266.db2.gz RDMCDWYJIDGHPY-UHFFFAOYSA-N -1 3 292.686 1.565 20 10 CDCDHM O=C([O-])[C@@H](Cc1ccncc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001605904107 972749412 /nfs/dbraw/zinc/74/94/12/972749412.db2.gz RADQZIHVGWAXAQ-CYBMUJFWSA-N -1 3 290.294 1.712 20 10 CDCDHM CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1ccccc1[O-] ZINC001595316518 980484288 /nfs/dbraw/zinc/48/42/88/980484288.db2.gz FQYKRNTYPIWEHG-NHCYSSNCSA-N -1 3 294.351 1.411 20 10 CDCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])C1(CO)CC1 ZINC001593198303 994170105 /nfs/dbraw/zinc/17/01/05/994170105.db2.gz PYLJOFDCPMVUHA-VHSXEESVSA-N -1 3 279.336 1.902 20 10 CDCDHM COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599179950 996925032 /nfs/dbraw/zinc/92/50/32/996925032.db2.gz YSKAHRDVGYBKIU-ONGXEEELSA-N -1 3 283.324 1.138 20 10 CDCDHM CNC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096970993 283313623 /nfs/dbraw/zinc/31/36/23/283313623.db2.gz LQXLJPRUMYZXSJ-ZDUSSCGKSA-N -1 3 278.352 1.119 20 10 CDCDHM CCCN(Cc1cnnn1C)Cc1ccccc1[O-] ZINC000092704955 358561408 /nfs/dbraw/zinc/56/14/08/358561408.db2.gz ZULIPNPMSCFHHK-UHFFFAOYSA-N -1 3 260.341 1.933 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CCOC[C@H]2C)c([O-])c1O ZINC000287083267 369083748 /nfs/dbraw/zinc/08/37/48/369083748.db2.gz YIUAGKQGCUNCOC-MNOVXSKESA-N -1 3 279.336 1.809 20 10 CDCDHM CC[C@H](NCc1cnnn1C)c1ccc(F)cc1[O-] ZINC000287485499 369212471 /nfs/dbraw/zinc/21/24/71/369212471.db2.gz XLGGYXQJZDSLGU-LBPRGKRZSA-N -1 3 264.304 1.901 20 10 CDCDHM COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cc(F)ccc1[O-] ZINC000188787885 284201174 /nfs/dbraw/zinc/20/11/74/284201174.db2.gz YPGUNYQQPGBQBA-STQMWFEESA-N -1 3 283.299 1.030 20 10 CDCDHM C[C@H]1[C@@H](NCc2cccc(Cl)c2[O-])CCS1(=O)=O ZINC000293959268 371350875 /nfs/dbraw/zinc/35/08/75/371350875.db2.gz PTYRKNUKHZZPBI-KWQFWETISA-N -1 3 289.784 1.711 20 10 CDCDHM Cc1ccc(C(=O)N(C)CC(C)(C)CO)c([O-])c1O ZINC000296208643 378712042 /nfs/dbraw/zinc/71/20/42/378712042.db2.gz NBWFGBRNWZDPBB-UHFFFAOYSA-N -1 3 267.325 1.497 20 10 CDCDHM COc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2C)c1[O-] ZINC000184684944 262025830 /nfs/dbraw/zinc/02/58/30/262025830.db2.gz WOTPPXPPVZFCQQ-QMMMGPOBSA-N -1 3 284.743 1.375 20 10 CDCDHM Cc1ccc(C(=O)N2CCSC[C@@H]2C)c([O-])c1O ZINC000182485472 391236622 /nfs/dbraw/zinc/23/66/22/391236622.db2.gz NFUIXHPPMZPKSZ-VIFPVBQESA-N -1 3 267.350 1.984 20 10 CDCDHM CCSCCCNC(=O)c1cccc(O)c1[O-] ZINC000281946888 391432445 /nfs/dbraw/zinc/43/24/45/391432445.db2.gz COGGAVHFULGSCM-UHFFFAOYSA-N -1 3 255.339 1.971 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1C[C@@H](F)C[C@H]1CO ZINC000372638949 391859724 /nfs/dbraw/zinc/85/97/24/391859724.db2.gz LBVWTWIPKSERLN-QWRGUYRKSA-N -1 3 259.708 1.950 20 10 CDCDHM CS[C@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182889311 397969133 /nfs/dbraw/zinc/96/91/33/397969133.db2.gz XXIARWFJMLSJAJ-MRVPVSSYSA-N -1 3 255.339 1.888 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCn3cnnc3C2)c1[O-] ZINC000081537276 260182784 /nfs/dbraw/zinc/18/27/84/260182784.db2.gz XUUCNDPNFQSIOH-UHFFFAOYSA-N -1 3 290.298 1.341 20 10 CDCDHM COc1cc(Cl)cc(CN2CCCC[C@@H]2C(N)=O)c1[O-] ZINC000184674715 262025594 /nfs/dbraw/zinc/02/55/94/262025594.db2.gz QFXUGTYDFAKLKX-LLVKDONJSA-N -1 3 298.770 1.894 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367840145 267122203 /nfs/dbraw/zinc/12/22/03/267122203.db2.gz PCSQRFPXVOZTBU-GDNZZTSVSA-N -1 3 298.180 1.825 20 10 CDCDHM COC(=O)[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000177250316 327788586 /nfs/dbraw/zinc/78/85/86/327788586.db2.gz ORZJELAZHFWPAZ-CYBMUJFWSA-N -1 3 295.310 1.871 20 10 CDCDHM CCn1cnnc1CN[C@H](C)c1cc(F)ccc1[O-] ZINC000230658876 333319814 /nfs/dbraw/zinc/31/98/14/333319814.db2.gz KVBSFYSYVNFKCO-SECBINFHSA-N -1 3 264.304 1.994 20 10 CDCDHM CO[C@@H]1COC[C@@H]1NCc1c([O-])ccc(Cl)c1F ZINC000839194510 1160158445 /nfs/dbraw/zinc/15/84/45/1160158445.db2.gz BGEBHFWXWWKPHY-GXSJLCMTSA-N -1 3 275.707 1.688 20 10 CDCDHM CCCCOCCOCCNC(=O)c1cccc(O)c1[O-] ZINC000790811153 1162171051 /nfs/dbraw/zinc/17/10/51/1162171051.db2.gz KTZMYHCJHDQUKA-UHFFFAOYSA-N -1 3 297.351 1.661 20 10 CDCDHM C[C@H](NC(=O)c1cc([O-])cs1)C(=O)NCc1ccco1 ZINC000731870977 575067350 /nfs/dbraw/zinc/06/73/50/575067350.db2.gz BILSHVDSEYWXSK-QMMMGPOBSA-N -1 3 294.332 1.481 20 10 CDCDHM NC(=O)c1ccc(COC(=O)c2cc([O-])cs2)cc1 ZINC000731909675 575070273 /nfs/dbraw/zinc/07/02/73/575070273.db2.gz IQDWARNJPRVBJW-UHFFFAOYSA-N -1 3 277.301 1.910 20 10 CDCDHM CCN(CC)C(=O)COC(=O)c1cc([O-])cs1 ZINC000731911003 575070467 /nfs/dbraw/zinc/07/04/67/575070467.db2.gz YKBIHXSVKCNFBZ-UHFFFAOYSA-N -1 3 257.311 1.479 20 10 CDCDHM O=C(NCc1cccc(CO)c1)c1cc([O-])cs1 ZINC000732288694 575087179 /nfs/dbraw/zinc/08/71/79/575087179.db2.gz WYCVDZLQVXRHLI-UHFFFAOYSA-N -1 3 263.318 1.876 20 10 CDCDHM O=C(NCC1(N2CCOCC2)CC1)c1cc([O-])cs1 ZINC000765945439 576064888 /nfs/dbraw/zinc/06/48/88/576064888.db2.gz YMVKMWYFPRZMRY-UHFFFAOYSA-N -1 3 282.365 1.048 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)[C@H]1CCCOC1 ZINC000769104193 576330240 /nfs/dbraw/zinc/33/02/40/576330240.db2.gz VRIISHZSUWSUQG-QMMMGPOBSA-N -1 3 270.306 1.606 20 10 CDCDHM COc1cccc([O-])c1CN(C)[C@H](C)CS(C)(=O)=O ZINC000769416633 576352846 /nfs/dbraw/zinc/35/28/46/576352846.db2.gz JYMPIAIOLJPDAM-SNVBAGLBSA-N -1 3 287.381 1.266 20 10 CDCDHM CCOc1ccc(CN2CCN(C)C(=O)C2)c([O-])c1 ZINC000769446558 576354739 /nfs/dbraw/zinc/35/47/39/576354739.db2.gz RLUBIFXRHIPGGR-UHFFFAOYSA-N -1 3 264.325 1.065 20 10 CDCDHM CCOC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000769467259 576356517 /nfs/dbraw/zinc/35/65/17/576356517.db2.gz OGPJRRLQFUSMSA-ZDUSSCGKSA-N -1 3 299.754 1.810 20 10 CDCDHM COC[C@@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000742156983 576583668 /nfs/dbraw/zinc/58/36/68/576583668.db2.gz DDTQXJYCSMCCKD-ZDUSSCGKSA-N -1 3 288.347 1.788 20 10 CDCDHM CCN1CCN(C(=O)c2cc([O-])cs2)C[C@@H]1C ZINC000754516854 576899613 /nfs/dbraw/zinc/89/96/13/576899613.db2.gz YUCFBXMXBVWAFD-VIFPVBQESA-N -1 3 254.355 1.620 20 10 CDCDHM CC(C)c1nnc(CNC(=O)c2cc([O-])cs2)n1C ZINC000758597927 577121181 /nfs/dbraw/zinc/12/11/81/577121181.db2.gz SJAIIFKQWODCOB-UHFFFAOYSA-N -1 3 280.353 1.636 20 10 CDCDHM COCCN1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893916162 618172688 /nfs/dbraw/zinc/17/26/88/618172688.db2.gz DNNCDLXFYPMBEC-UHFFFAOYSA-N -1 3 286.322 1.434 20 10 CDCDHM O=C([O-])[C@H]1CSCC[N@H+](Cc2ccccc2[O-])C1 ZINC000901892683 618321467 /nfs/dbraw/zinc/32/14/67/618321467.db2.gz VKUNJQGHSPWBHG-LLVKDONJSA-N -1 3 267.350 1.642 20 10 CDCDHM O=C([O-])[C@H]1CSCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000901892683 618321470 /nfs/dbraw/zinc/32/14/70/618321470.db2.gz VKUNJQGHSPWBHG-LLVKDONJSA-N -1 3 267.350 1.642 20 10 CDCDHM CON(C)C(=O)CNCc1cc(Cl)cc(F)c1[O-] ZINC000895041145 619218527 /nfs/dbraw/zinc/21/85/27/619218527.db2.gz SWLWSNPSDSTMJN-UHFFFAOYSA-N -1 3 276.695 1.294 20 10 CDCDHM O=C(NCc1ncc2c(n1)CCC2)c1cccc(O)c1[O-] ZINC000909680610 628616406 /nfs/dbraw/zinc/61/64/06/628616406.db2.gz YBAOQMSJOJYDDS-UHFFFAOYSA-N -1 3 285.303 1.307 20 10 CDCDHM Cc1nocc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000815121625 730430835 /nfs/dbraw/zinc/43/08/35/730430835.db2.gz AEPBPWYVLSODAJ-UHFFFAOYSA-N -1 3 263.253 1.887 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccnc1 ZINC000126253586 730477483 /nfs/dbraw/zinc/47/74/83/730477483.db2.gz VROVBWSIUZUHPE-SECBINFHSA-N -1 3 258.277 1.984 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@H](C)c1c([O-])cccc1F ZINC000886491923 730559230 /nfs/dbraw/zinc/55/92/30/730559230.db2.gz WOZMFMDFCBFKNL-BDAKNGLRSA-N -1 3 254.305 1.707 20 10 CDCDHM CN(Cc1nnc[nH]1)Cc1c([O-])ccc(Cl)c1F ZINC000792166494 730884699 /nfs/dbraw/zinc/88/46/99/730884699.db2.gz RXIYQDODRZPRED-UHFFFAOYSA-N -1 3 270.695 1.935 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCC2(C1)OCCO2 ZINC000131019098 731860926 /nfs/dbraw/zinc/86/09/26/731860926.db2.gz VYHWSACGAPAUJE-UHFFFAOYSA-N -1 3 269.728 1.994 20 10 CDCDHM O=C(NCCCCn1ccnc1)c1cccc(O)c1[O-] ZINC000126363612 731902283 /nfs/dbraw/zinc/90/22/83/731902283.db2.gz LXWSZKPESQWDND-UHFFFAOYSA-N -1 3 275.308 1.505 20 10 CDCDHM Cc1cc([O-])c(CN2CCN3C(=O)NC[C@H]3C2)cc1Cl ZINC000824920347 732116279 /nfs/dbraw/zinc/11/62/79/732116279.db2.gz KUAKTZGJCGRWQP-NSHDSACASA-N -1 3 295.770 1.563 20 10 CDCDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)C(C)C ZINC000842589205 732355316 /nfs/dbraw/zinc/35/53/16/732355316.db2.gz SPCVGPVEDVITFJ-LBPRGKRZSA-N -1 3 291.344 1.944 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](CCO)CC1 ZINC000817698961 732595725 /nfs/dbraw/zinc/59/57/25/732595725.db2.gz XZGBUAFYBFHRSP-LLVKDONJSA-N -1 3 279.336 1.723 20 10 CDCDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1c([O-])cccc1F ZINC000886557301 732873390 /nfs/dbraw/zinc/87/33/90/732873390.db2.gz XWQBVCQPTIUQOZ-BXKDBHETSA-N -1 3 279.315 1.649 20 10 CDCDHM CCCNC(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000708446024 733094098 /nfs/dbraw/zinc/09/40/98/733094098.db2.gz YTQZVYLDOZIBIV-UHFFFAOYSA-N -1 3 258.268 1.286 20 10 CDCDHM COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610252855 1165274533 /nfs/dbraw/zinc/27/45/33/1165274533.db2.gz IIBNWKMUDWAFCZ-ONGXEEELSA-N -1 3 283.324 1.138 20 10 CDCDHM COCC[C@@H](CO)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610252853 1165275385 /nfs/dbraw/zinc/27/53/85/1165275385.db2.gz IIBNWKMUDWAFCZ-KOLCDFICSA-N -1 3 283.324 1.138 20 10 CDCDHM O=C1OC[C@H]2CN(Cc3ccc(Cl)cc3[O-])CCN12 ZINC001140464850 896202823 /nfs/dbraw/zinc/20/28/23/896202823.db2.gz CKUUYPGAYLYIMM-LLVKDONJSA-N -1 3 282.727 1.682 20 10 CDCDHM CCn1cc(CNCc2cc(Cl)ccc2[O-])nn1 ZINC000404422301 897263129 /nfs/dbraw/zinc/26/31/29/897263129.db2.gz UAPSAULCHGEYHU-UHFFFAOYSA-N -1 3 266.732 1.947 20 10 CDCDHM C[C@H](O)CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181357739 917017432 /nfs/dbraw/zinc/01/74/32/917017432.db2.gz RLGDHYROWAGBHO-QMMMGPOBSA-N -1 3 294.738 1.981 20 10 CDCDHM COC(=O)CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140344748 936704223 /nfs/dbraw/zinc/70/42/23/936704223.db2.gz LXZGQSQTMMJUAG-UHFFFAOYSA-N -1 3 298.770 1.336 20 10 CDCDHM O=C1NC[C@]2(CCCN(Cc3cc(F)c(F)cc3[O-])C2)O1 ZINC001142526969 937027678 /nfs/dbraw/zinc/02/76/78/937027678.db2.gz DCNSRMBVDNFADT-AWEZNQCLSA-N -1 3 298.289 1.745 20 10 CDCDHM O=C(Nc1cnc2n[nH]cc2c1)c1cccc(O)c1[O-] ZINC001148212222 932668869 /nfs/dbraw/zinc/66/88/69/932668869.db2.gz RQTAHCZWIAXDFG-UHFFFAOYSA-N -1 3 270.248 1.621 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001231446839 942892538 /nfs/dbraw/zinc/89/25/38/942892538.db2.gz LOKHKYOBEFFWNA-NWDGAFQWSA-N -1 3 283.299 1.385 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001231446839 942892541 /nfs/dbraw/zinc/89/25/41/942892541.db2.gz LOKHKYOBEFFWNA-NWDGAFQWSA-N -1 3 283.299 1.385 20 10 CDCDHM C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446971 942893758 /nfs/dbraw/zinc/89/37/58/942893758.db2.gz NARVODGJGVJOMB-CABZTGNLSA-N -1 3 265.309 1.293 20 10 CDCDHM C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446971 942893764 /nfs/dbraw/zinc/89/37/64/942893764.db2.gz NARVODGJGVJOMB-CABZTGNLSA-N -1 3 265.309 1.293 20 10 CDCDHM COC[C@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561686 942927533 /nfs/dbraw/zinc/92/75/33/942927533.db2.gz YLZYYRXRXISJNK-GFCCVEGCSA-N -1 3 265.309 1.701 20 10 CDCDHM COC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561686 942927539 /nfs/dbraw/zinc/92/75/39/942927539.db2.gz YLZYYRXRXISJNK-GFCCVEGCSA-N -1 3 265.309 1.701 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001231565301 942931164 /nfs/dbraw/zinc/93/11/64/942931164.db2.gz DNQREUWFLXXNCA-CNDDSTCGSA-N -1 3 265.284 1.738 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001231565301 942931171 /nfs/dbraw/zinc/93/11/71/942931171.db2.gz DNQREUWFLXXNCA-CNDDSTCGSA-N -1 3 265.284 1.738 20 10 CDCDHM CN1CC2(C1)CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233336457 943549180 /nfs/dbraw/zinc/54/91/80/943549180.db2.gz MGLSCBADMAHNFG-UHFFFAOYSA-N -1 3 254.280 1.418 20 10 CDCDHM CC1(O)CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451994 943587723 /nfs/dbraw/zinc/58/77/23/943587723.db2.gz HJDGHHXITXEEJE-UHFFFAOYSA-N -1 3 261.243 1.978 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](n2cncn2)C1 ZINC001338264759 961721117 /nfs/dbraw/zinc/72/11/17/961721117.db2.gz QLZNRQLALZSDJZ-LLVKDONJSA-N -1 3 280.278 1.709 20 10 CDCDHM CC(C)c1ccc(O)c(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001591973611 976579505 /nfs/dbraw/zinc/57/95/05/976579505.db2.gz DIKQIMNPADNBOY-QWHCGFSZSA-N -1 3 279.336 1.535 20 10 CDCDHM CCCCN(CC(=O)NCC(=O)[O-])Cc1ccccc1O ZINC001595742389 982406536 /nfs/dbraw/zinc/40/65/36/982406536.db2.gz ZVMVPRVUGGAQAN-UHFFFAOYSA-N -1 3 294.351 1.195 20 10 CDCDHM CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001596415344 984021802 /nfs/dbraw/zinc/02/18/02/984021802.db2.gz JPEPBQQFYVEHGQ-CMPLNLGQSA-N -1 3 278.352 1.835 20 10 CDCDHM CCOc1ccc(C[NH2+][C@@H](CC(F)F)C(=O)[O-])c([O-])c1 ZINC001597100985 986711752 /nfs/dbraw/zinc/71/17/52/986711752.db2.gz MATKBRUXYGJZHD-JTQLQIEISA-N -1 3 289.278 1.989 20 10 CDCDHM O=C(/C=C/c1cncc([O-])c1)N1C[C@@H](CO)c2ccccc21 ZINC000492975442 366187400 /nfs/dbraw/zinc/18/74/00/366187400.db2.gz VBEBRMDIYMJVAA-GFUIURDCSA-N -1 3 296.326 1.923 20 10 CDCDHM O=C1CN(Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@H]2N1 ZINC000180014727 357237241 /nfs/dbraw/zinc/23/72/41/357237241.db2.gz HKSYLYFYNPWFQL-OLZOCXBDSA-N -1 3 278.327 1.774 20 10 CDCDHM C[C@H](CC(C)(C)O)NC(=O)c1cccc(O)c1[O-] ZINC000297143516 200096454 /nfs/dbraw/zinc/09/64/54/200096454.db2.gz ILZJBLAJCRBWBI-MRVPVSSYSA-N -1 3 253.298 1.377 20 10 CDCDHM COC(=O)[C@@H]1COCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000271759447 364996054 /nfs/dbraw/zinc/99/60/54/364996054.db2.gz YFRBDIHFXQQDBD-LBPRGKRZSA-N -1 3 299.754 1.728 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN(c2ncccn2)CC1 ZINC000272325807 365190437 /nfs/dbraw/zinc/19/04/37/365190437.db2.gz VHFNHBDTSWKSEU-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CCO[C@H](C)C2)c([O-])c1O ZINC000272982284 365462051 /nfs/dbraw/zinc/46/20/51/365462051.db2.gz MBZABLULVOOWGP-GHMZBOCLSA-N -1 3 279.336 1.951 20 10 CDCDHM COc1cc(Cl)cc(CN(C)[C@@H]2CCN(C)C2=O)c1[O-] ZINC000273752160 365521954 /nfs/dbraw/zinc/52/19/54/365521954.db2.gz NROAEEHDJNCIBK-LLVKDONJSA-N -1 3 298.770 1.717 20 10 CDCDHM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000273585713 365509905 /nfs/dbraw/zinc/50/99/05/365509905.db2.gz ZSIXPPZJODRUQV-UWVGGRQHSA-N -1 3 295.335 1.724 20 10 CDCDHM COC(=O)CN(CCCO)Cc1cc(Cl)ccc1[O-] ZINC000109779814 390648423 /nfs/dbraw/zinc/64/84/23/390648423.db2.gz JICUURKGJATMIW-UHFFFAOYSA-N -1 3 287.743 1.403 20 10 CDCDHM C[C@H]1CS(=O)(=O)CCN1Cc1ccccc1[O-] ZINC000179577173 391213276 /nfs/dbraw/zinc/21/32/76/391213276.db2.gz QUQRVHHCUJVGJZ-JTQLQIEISA-N -1 3 255.339 1.011 20 10 CDCDHM C[C@@H]1OCC[C@@]12CN(C(=O)c1cccc(O)c1[O-])CCO2 ZINC000279853472 391394121 /nfs/dbraw/zinc/39/41/21/391394121.db2.gz FZPDKXRHXIAQJV-ZUZCIYMTSA-N -1 3 293.319 1.118 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)C(=O)N(C)C)c1 ZINC000276914211 263038459 /nfs/dbraw/zinc/03/84/59/263038459.db2.gz PPMFJIXLSAHBNB-ZJUUUORDSA-N -1 3 294.351 1.306 20 10 CDCDHM CCOC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000185655383 327842347 /nfs/dbraw/zinc/84/23/47/327842347.db2.gz NQAYIRQIEBKHTN-NSHDSACASA-N -1 3 279.336 1.987 20 10 CDCDHM CCCN(Cc1cnn(C)n1)Cc1ccccc1[O-] ZINC000289538879 521691946 /nfs/dbraw/zinc/69/19/46/521691946.db2.gz CHGWXJFZMJTIMS-UHFFFAOYSA-N -1 3 260.341 1.933 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)N(C)C)c1[O-] ZINC000050133709 518283976 /nfs/dbraw/zinc/28/39/76/518283976.db2.gz GDTAMTURMDBURL-UHFFFAOYSA-N -1 3 282.315 1.254 20 10 CDCDHM CC1CCN(CCNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276576125 521014650 /nfs/dbraw/zinc/01/46/50/521014650.db2.gz NXYFZDCOGAAYLX-UHFFFAOYSA-N -1 3 296.342 1.699 20 10 CDCDHM COc1c([O-])c(CN2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000278178646 521872634 /nfs/dbraw/zinc/87/26/34/521872634.db2.gz GQNKDOFZLXGSQF-SNVBAGLBSA-N -1 3 282.296 1.266 20 10 CDCDHM CC[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000291956009 522186870 /nfs/dbraw/zinc/18/68/70/522186870.db2.gz FIQHYEDMUPXQID-SECBINFHSA-N -1 3 253.298 1.561 20 10 CDCDHM O=C(NCCOCC(F)F)c1cccc(O)c1[O-] ZINC000276303561 526351647 /nfs/dbraw/zinc/35/16/47/526351647.db2.gz ATKXQVZSLOITIU-UHFFFAOYSA-N -1 3 261.224 1.109 20 10 CDCDHM Cc1ccc(C[NH+]2CCC([C@H](O)C(=O)[O-])CC2)c([O-])c1 ZINC001600412607 1174468320 /nfs/dbraw/zinc/46/83/20/1174468320.db2.gz JQQANYOOFVMGJR-AWEZNQCLSA-N -1 3 279.336 1.358 20 10 CDCDHM Cc1noc(CCCNC(=O)c2cc([O-])cs2)n1 ZINC000732284661 575086742 /nfs/dbraw/zinc/08/67/42/575086742.db2.gz WJXWTSLGQMQYHH-UHFFFAOYSA-N -1 3 267.310 1.508 20 10 CDCDHM CO[C@H](CNC(=O)c1cc([O-])cs1)C(F)(F)F ZINC000733367379 575117003 /nfs/dbraw/zinc/11/70/03/575117003.db2.gz LGRRORPBAFFKCX-SSDOTTSWSA-N -1 3 269.244 1.761 20 10 CDCDHM C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000765143270 575991710 /nfs/dbraw/zinc/99/17/10/575991710.db2.gz MZQTVCLZMTWSLL-IUCAKERBSA-N -1 3 255.339 1.829 20 10 CDCDHM CC[C@H](C[C@H](C)CO)NC(=O)c1cc([O-])cs1 ZINC000765310746 576008071 /nfs/dbraw/zinc/00/80/71/576008071.db2.gz MIHCROSPRLLZFB-DTWKUNHWSA-N -1 3 257.355 1.981 20 10 CDCDHM CCOc1ccc([C@@H]2NC(=O)[C@H]3CSCCN23)c([O-])c1 ZINC000765518349 576035282 /nfs/dbraw/zinc/03/52/82/576035282.db2.gz BEUZOGYQXZYULM-DGCLKSJQSA-N -1 3 294.376 1.337 20 10 CDCDHM CC[C@H](NC(=O)c1cc([O-])cs1)[C@H](O)C(F)(F)F ZINC000766249774 576088541 /nfs/dbraw/zinc/08/85/41/576088541.db2.gz PNEYPKXDBHSNOQ-XPUUQOCRSA-N -1 3 283.271 1.885 20 10 CDCDHM CC[C@H](NC(=O)c1cc([O-])cs1)[C@@H](O)C(F)(F)F ZINC000766249771 576088550 /nfs/dbraw/zinc/08/85/50/576088550.db2.gz PNEYPKXDBHSNOQ-POYBYMJQSA-N -1 3 283.271 1.885 20 10 CDCDHM CCOc1ccc(CN2CCNC(=O)[C@@H]2C)c([O-])c1 ZINC000769191669 576336690 /nfs/dbraw/zinc/33/66/90/576336690.db2.gz AWDCSQFLOPFYEA-JTQLQIEISA-N -1 3 264.325 1.111 20 10 CDCDHM CCO[C@@H]1COCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000760448898 576485171 /nfs/dbraw/zinc/48/51/71/576485171.db2.gz OWKXINMEDFWBFG-VHSXEESVSA-N -1 3 271.338 1.378 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](CO)CC(F)F)c([O-])c1O ZINC000760677151 576501345 /nfs/dbraw/zinc/50/13/45/576501345.db2.gz KJZVQQQLOVGZET-ZETCQYMHSA-N -1 3 275.251 1.152 20 10 CDCDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)CC[S@]1=O ZINC000760922582 576525284 /nfs/dbraw/zinc/52/52/84/576525284.db2.gz RMJVTUJBTLVCTG-WNWIJWBNSA-N -1 3 273.379 1.437 20 10 CDCDHM CC1=CCN(CCNC(=O)c2cc([O-])cs2)CC1 ZINC000762814372 576675881 /nfs/dbraw/zinc/67/58/81/576675881.db2.gz GJGSDURECFPIOF-UHFFFAOYSA-N -1 3 266.366 1.836 20 10 CDCDHM CCn1nccc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000753848457 576862992 /nfs/dbraw/zinc/86/29/92/576862992.db2.gz FHUPSPFZHYHOKJ-UHFFFAOYSA-N -1 3 276.296 1.807 20 10 CDCDHM C[C@@H](NCc1nnnn1C1CC1)c1ccc(F)cc1[O-] ZINC000756732861 577002353 /nfs/dbraw/zinc/00/23/53/577002353.db2.gz NPZNUNSAPORFAR-MRVPVSSYSA-N -1 3 277.303 1.704 20 10 CDCDHM COC(=O)N1CC(N[C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756760051 577003429 /nfs/dbraw/zinc/00/34/29/577003429.db2.gz NNUVOFPCRPCLBT-ZETCQYMHSA-N -1 3 286.278 1.772 20 10 CDCDHM C[C@H]1C[C@@H](NCc2ncn(C)n2)c2c1c(F)ccc2[O-] ZINC000756778869 577004300 /nfs/dbraw/zinc/00/43/00/577004300.db2.gz GDHVJNQVMJLXDZ-WCBMZHEXSA-N -1 3 276.315 1.998 20 10 CDCDHM Cc1cc(CNC(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000751535385 577048927 /nfs/dbraw/zinc/04/89/27/577048927.db2.gz PJLGAMYMOJMWEC-UHFFFAOYSA-N -1 3 262.265 1.633 20 10 CDCDHM O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc([O-])cs1 ZINC000759098338 577152321 /nfs/dbraw/zinc/15/23/21/577152321.db2.gz CDAAWFXNNMISAV-QMMMGPOBSA-N -1 3 263.322 1.464 20 10 CDCDHM Oc1ccccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000826511279 608376988 /nfs/dbraw/zinc/37/69/88/608376988.db2.gz JFHVIVXHJVRISM-UHFFFAOYSA-N -1 3 268.280 1.579 20 10 CDCDHM Oc1ccccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000826511279 608376990 /nfs/dbraw/zinc/37/69/90/608376990.db2.gz JFHVIVXHJVRISM-UHFFFAOYSA-N -1 3 268.280 1.579 20 10 CDCDHM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)cc(C)n1 ZINC001170314805 1162334955 /nfs/dbraw/zinc/33/49/55/1162334955.db2.gz ITWNJBUGKOTYIT-UHFFFAOYSA-N -1 3 272.304 1.826 20 10 CDCDHM C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780694 1165078355 /nfs/dbraw/zinc/07/83/55/1165078355.db2.gz VFWLVRJPWAWINH-FEUHOPSXSA-N -1 3 295.335 1.281 20 10 CDCDHM C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978577 1173221882 /nfs/dbraw/zinc/22/18/82/1173221882.db2.gz OWWOJUCPTVUBNP-UTLUCORTSA-N -1 3 273.340 1.879 20 10 CDCDHM O=C([O-])[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC001595197006 1174198258 /nfs/dbraw/zinc/19/82/58/1174198258.db2.gz KKYGMYDNUMYGFQ-ZANVPECISA-N -1 3 293.319 1.115 20 10 CDCDHM O=C([O-])[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC001595197006 1174198263 /nfs/dbraw/zinc/19/82/63/1174198263.db2.gz KKYGMYDNUMYGFQ-ZANVPECISA-N -1 3 293.319 1.115 20 10 CDCDHM Cc1c(CNC(=O)c2cccc(O)c2[O-])cnn1C ZINC000187209590 735342203 /nfs/dbraw/zinc/34/22/03/735342203.db2.gz WQJOBRYJBJTOQU-UHFFFAOYSA-N -1 3 261.281 1.070 20 10 CDCDHM CCn1nncc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000858203688 735409341 /nfs/dbraw/zinc/40/93/41/735409341.db2.gz ZNKYRKRZOHSFOD-UHFFFAOYSA-N -1 3 277.284 1.202 20 10 CDCDHM CN(CC(N)=O)Cc1c([O-])cccc1Br ZINC000707129129 735776374 /nfs/dbraw/zinc/77/63/74/735776374.db2.gz DBQRSEIFCGTVCT-UHFFFAOYSA-N -1 3 273.130 1.072 20 10 CDCDHM CCS(=O)(=O)C1CN(Cc2cc(F)ccc2[O-])C1 ZINC000841886325 736335523 /nfs/dbraw/zinc/33/55/23/736335523.db2.gz MMIQCMSUESOVNO-UHFFFAOYSA-N -1 3 273.329 1.150 20 10 CDCDHM COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000857328992 733274648 /nfs/dbraw/zinc/27/46/48/733274648.db2.gz ALADIDAUSQGCKM-MWLCHTKSSA-N -1 3 293.319 1.512 20 10 CDCDHM CO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000713144740 733444132 /nfs/dbraw/zinc/44/41/32/733444132.db2.gz KZQHHHVZBRBCAH-NWDGAFQWSA-N -1 3 277.320 1.785 20 10 CDCDHM CO[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000388217376 733981227 /nfs/dbraw/zinc/98/12/27/733981227.db2.gz FWYPQUGIWDPGBW-VHSXEESVSA-N -1 3 265.309 1.737 20 10 CDCDHM C[C@@H](Nc1cnn(CCO)c1)c1c([O-])cccc1F ZINC000886578284 734269832 /nfs/dbraw/zinc/26/98/32/734269832.db2.gz QUSJGKMDWJEEMF-SECBINFHSA-N -1 3 265.288 1.893 20 10 CDCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cc(=O)[n-]cn1 ZINC000858452889 734341516 /nfs/dbraw/zinc/34/15/16/734341516.db2.gz OWGOPCYGQAGHTG-UHFFFAOYSA-N -1 3 298.346 1.712 20 10 CDCDHM COC(=O)[C@H](CC(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000790912095 734467414 /nfs/dbraw/zinc/46/74/14/734467414.db2.gz ZLKQNDUTALRMBM-ZETCQYMHSA-N -1 3 289.234 1.024 20 10 CDCDHM O=C(NCc1ccccc1O)c1cc(F)cc2n[n-]nc21 ZINC000800519696 734763218 /nfs/dbraw/zinc/76/32/18/734763218.db2.gz UDKKUKDUYVMYSD-UHFFFAOYSA-N -1 3 286.266 1.733 20 10 CDCDHM CCn1nncc1CN[C@H](C)c1c([O-])cccc1F ZINC000886641895 734980989 /nfs/dbraw/zinc/98/09/89/734980989.db2.gz VGHAVMLANGHZOJ-SECBINFHSA-N -1 3 264.304 1.994 20 10 CDCDHM O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ccccc1[O-] ZINC000091133811 735026632 /nfs/dbraw/zinc/02/66/32/735026632.db2.gz YZDZFUQIRUWTDI-LLVKDONJSA-N -1 3 267.350 1.784 20 10 CDCDHM O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ccccc1[O-] ZINC000091133811 735026636 /nfs/dbraw/zinc/02/66/36/735026636.db2.gz YZDZFUQIRUWTDI-LLVKDONJSA-N -1 3 267.350 1.784 20 10 CDCDHM NC(=O)N[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816521329 735069139 /nfs/dbraw/zinc/06/91/39/735069139.db2.gz MPOQVLQCYDTMJC-MRVPVSSYSA-N -1 3 287.722 1.427 20 10 CDCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1CO ZINC000700389427 735142356 /nfs/dbraw/zinc/14/23/56/735142356.db2.gz IIBALSNIFXMZHQ-NXEZZACHSA-N -1 3 265.309 1.188 20 10 CDCDHM O=C(NCc1nnc(C2CC2)o1)c1cccc(O)c1[O-] ZINC000793871467 735180887 /nfs/dbraw/zinc/18/08/87/735180887.db2.gz GIOZTBGUICEXSF-UHFFFAOYSA-N -1 3 275.264 1.288 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@H]1CO ZINC000126571238 735182200 /nfs/dbraw/zinc/18/22/00/735182200.db2.gz UXCRKSYEBMTHSO-JTQLQIEISA-N -1 3 265.309 1.475 20 10 CDCDHM O=C1CN(Cc2ccc(Br)cc2[O-])CCN1 ZINC000824516936 735685305 /nfs/dbraw/zinc/68/53/05/735685305.db2.gz XBZDJHPFPJBDTA-UHFFFAOYSA-N -1 3 285.141 1.087 20 10 CDCDHM [O-]c1c(Br)cccc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000783735851 736158625 /nfs/dbraw/zinc/15/86/25/736158625.db2.gz TZRQZFUATBMHES-GXFFZTMASA-N -1 3 298.180 1.969 20 10 CDCDHM CNC(=O)N[C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC001138130818 936476504 /nfs/dbraw/zinc/47/65/04/936476504.db2.gz INOWGUZBEZUCGK-NSHDSACASA-N -1 3 281.331 1.425 20 10 CDCDHM CN1CCCN(Cc2c([O-])cccc2Cl)CC1=O ZINC001140341534 936703347 /nfs/dbraw/zinc/70/33/47/936703347.db2.gz UMOAFYHWABKZRA-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM O=C(Nc1[nH]nc2cccnc21)c1cccc(O)c1[O-] ZINC001148213152 932668877 /nfs/dbraw/zinc/66/88/77/932668877.db2.gz YBZXTYZBFRELMT-UHFFFAOYSA-N -1 3 270.248 1.621 20 10 CDCDHM O=C(NC[C@H]1C[C@H](F)C1)c1cc(O)c([O-])c(O)c1 ZINC001148589534 932752703 /nfs/dbraw/zinc/75/27/03/932752703.db2.gz APPZQRPUYVHRBL-FKQCQYRASA-N -1 3 255.245 1.281 20 10 CDCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)cc(=O)[nH]1 ZINC001156170189 938327661 /nfs/dbraw/zinc/32/76/61/938327661.db2.gz IKOWASNTFKOAIN-UHFFFAOYSA-N -1 3 276.267 1.870 20 10 CDCDHM O=C(NCc1ccc2cccnc2c1O)c1cncc([O-])c1 ZINC001162612566 939102652 /nfs/dbraw/zinc/10/26/52/939102652.db2.gz MDQNALNRCOGJGO-UHFFFAOYSA-N -1 3 295.298 1.971 20 10 CDCDHM C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446409 942890882 /nfs/dbraw/zinc/89/08/82/942890882.db2.gz IPHUDNXPKDDKRW-BXKDBHETSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446409 942890887 /nfs/dbraw/zinc/89/08/87/942890887.db2.gz IPHUDNXPKDDKRW-BXKDBHETSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446410 942891221 /nfs/dbraw/zinc/89/12/21/942891221.db2.gz IPHUDNXPKDDKRW-SKDRFNHKSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446410 942891225 /nfs/dbraw/zinc/89/12/25/942891225.db2.gz IPHUDNXPKDDKRW-SKDRFNHKSA-N -1 3 265.309 1.436 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001231451456 942895943 /nfs/dbraw/zinc/89/59/43/942895943.db2.gz YTLRZJVTJKYROT-LLVKDONJSA-N -1 3 251.282 1.047 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001231451456 942895947 /nfs/dbraw/zinc/89/59/47/942895947.db2.gz YTLRZJVTJKYROT-LLVKDONJSA-N -1 3 251.282 1.047 20 10 CDCDHM CC(C)[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCO1 ZINC001231453741 942896147 /nfs/dbraw/zinc/89/61/47/942896147.db2.gz JSTDJSFOPAJIEY-CQSZACIVSA-N -1 3 279.336 1.947 20 10 CDCDHM COC(=O)C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454266 942899652 /nfs/dbraw/zinc/89/96/52/942899652.db2.gz TWVQCGGZOAFYMZ-SNVBAGLBSA-N -1 3 293.319 1.475 20 10 CDCDHM COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454266 942899654 /nfs/dbraw/zinc/89/96/54/942899654.db2.gz TWVQCGGZOAFYMZ-SNVBAGLBSA-N -1 3 293.319 1.475 20 10 CDCDHM NC(=O)[C@@H]1CCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232259075 943192821 /nfs/dbraw/zinc/19/28/21/943192821.db2.gz RFZOFHGXWSSIRF-VIFPVBQESA-N -1 3 270.716 1.201 20 10 CDCDHM [O-]c1c(CN2C[C@@H]3CCO[C@@H]3C2)ccc(F)c1F ZINC001233078397 943487059 /nfs/dbraw/zinc/48/70/59/943487059.db2.gz UQERTVQXNWOCAX-GZMMTYOYSA-N -1 3 255.264 1.891 20 10 CDCDHM CN(C)C(=O)CN(C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454167 943588670 /nfs/dbraw/zinc/58/86/70/943588670.db2.gz JFDRRBCAZFHFCK-UHFFFAOYSA-N -1 3 290.285 1.931 20 10 CDCDHM C[C@@H]([NH2+][C@H]1CCN(CCC(=O)[O-])C1=O)c1ccccc1[O-] ZINC001599841081 988832875 /nfs/dbraw/zinc/83/28/75/988832875.db2.gz KFGPTKIGFQNMBF-PWSUYJOCSA-N -1 3 292.335 1.118 20 10 CDCDHM O=C1CN(Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@@H]2N1 ZINC000180014708 357236737 /nfs/dbraw/zinc/23/67/37/357236737.db2.gz HKSYLYFYNPWFQL-STQMWFEESA-N -1 3 278.327 1.774 20 10 CDCDHM COC[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](C)O1 ZINC000188374806 357887831 /nfs/dbraw/zinc/88/78/31/357887831.db2.gz OQBJJTNQMPGVSP-ZWNOBZJWSA-N -1 3 269.316 1.767 20 10 CDCDHM COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)cc(C)c1[O-] ZINC000188611328 357917529 /nfs/dbraw/zinc/91/75/29/357917529.db2.gz WMOCASSNGZDPBX-NWDGAFQWSA-N -1 3 299.754 1.462 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])CCS(=O)(=O)C1 ZINC000192065710 358172986 /nfs/dbraw/zinc/17/29/86/358172986.db2.gz FKTHGMHOGJBHEZ-SNVBAGLBSA-N -1 3 287.356 1.398 20 10 CDCDHM Cc1c([C@H](C)NC(=O)c2cccc(O)c2[O-])cnn1C ZINC000192981196 358254428 /nfs/dbraw/zinc/25/44/28/358254428.db2.gz CETHTWFGWACHCM-QMMMGPOBSA-N -1 3 275.308 1.631 20 10 CDCDHM CCCCN(CCCO)C(=O)c1cccc(O)c1[O-] ZINC000193152986 358270349 /nfs/dbraw/zinc/27/03/49/358270349.db2.gz YDUIPEGTFNCIPQ-UHFFFAOYSA-N -1 3 267.325 1.723 20 10 CDCDHM C[C@@H]1COCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000365757967 360641359 /nfs/dbraw/zinc/64/13/59/360641359.db2.gz LMEIPXCRLMZKGO-VIFPVBQESA-N -1 3 251.282 1.206 20 10 CDCDHM CCOc1ccc([O-])c([C@@H]2NC(=O)[C@@H]3CSCCN32)c1 ZINC000270815698 364772962 /nfs/dbraw/zinc/77/29/62/364772962.db2.gz QVAKDRYTNWTNNO-WCQYABFASA-N -1 3 294.376 1.337 20 10 CDCDHM COCCN1CCN(Cc2c([O-])cccc2Cl)CC1=O ZINC000272359770 365203728 /nfs/dbraw/zinc/20/37/28/365203728.db2.gz NAJWDEGKFIFCJM-UHFFFAOYSA-N -1 3 298.770 1.336 20 10 CDCDHM Cc1ccc(C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)c([O-])c1O ZINC000272801504 365404103 /nfs/dbraw/zinc/40/41/03/365404103.db2.gz YONKCDMEGCZAPM-VUPYVKPUSA-N -1 3 297.376 1.388 20 10 CDCDHM CCCOc1ccc(CN2CCN(CC)C(=O)C2)c([O-])c1 ZINC000273467645 365499764 /nfs/dbraw/zinc/49/97/64/365499764.db2.gz ISEQCYACGJCBDW-UHFFFAOYSA-N -1 3 292.379 1.845 20 10 CDCDHM CCN(CCOCCO)Cc1c([O-])cccc1Cl ZINC000282726802 368009851 /nfs/dbraw/zinc/00/98/51/368009851.db2.gz MBMAWYMQYMDJKQ-UHFFFAOYSA-N -1 3 273.760 1.876 20 10 CDCDHM CCn1nncc1CNCc1cccc(Cl)c1[O-] ZINC000529637548 368085481 /nfs/dbraw/zinc/08/54/81/368085481.db2.gz DCXQANYCUBEKQW-UHFFFAOYSA-N -1 3 266.732 1.947 20 10 CDCDHM CN(C)C(=O)O[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000295162707 371138416 /nfs/dbraw/zinc/13/84/16/371138416.db2.gz SJUIEIVWDPYURX-LBPRGKRZSA-N -1 3 282.315 1.804 20 10 CDCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])C(OC)OC ZINC000298874017 372332664 /nfs/dbraw/zinc/33/26/64/372332664.db2.gz GXMOQCGWOPPXKO-SECBINFHSA-N -1 3 269.297 1.225 20 10 CDCDHM Cc1ccc(C(=O)NCC[C@@H](C)CCO)c([O-])c1O ZINC000295905274 378701938 /nfs/dbraw/zinc/70/19/38/378701938.db2.gz IDYBFEYFCFUPMP-SECBINFHSA-N -1 3 267.325 1.545 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CCCO2)c([O-])c1O ZINC000177658867 391173752 /nfs/dbraw/zinc/17/37/52/391173752.db2.gz POTUGFDVVOSNGT-SECBINFHSA-N -1 3 251.282 1.315 20 10 CDCDHM C[C@H](CS(C)(=O)=O)N(Cc1ccccc1[O-])C1CC1 ZINC000179575074 391211403 /nfs/dbraw/zinc/21/14/03/391211403.db2.gz UNGQMSRNOPLJAX-LLVKDONJSA-N -1 3 283.393 1.790 20 10 CDCDHM CCOc1cccc(C[NH2+][C@@H](C(=O)[O-])C(C)C)c1[O-] ZINC000043429699 175042634 /nfs/dbraw/zinc/04/26/34/175042634.db2.gz IKVOAOWPCXGKCF-GFCCVEGCSA-N -1 3 267.325 1.990 20 10 CDCDHM CCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000077253448 177241339 /nfs/dbraw/zinc/24/13/39/177241339.db2.gz JMZQDDMOMZKCOB-NSHDSACASA-N -1 3 265.309 1.840 20 10 CDCDHM CCOc1cccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000077253448 177241341 /nfs/dbraw/zinc/24/13/41/177241341.db2.gz JMZQDDMOMZKCOB-NSHDSACASA-N -1 3 265.309 1.840 20 10 CDCDHM COC(=O)C[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000377833426 329031119 /nfs/dbraw/zinc/03/11/19/329031119.db2.gz DPQBICMILMCFQE-GFCCVEGCSA-N -1 3 283.299 1.295 20 10 CDCDHM O=C(/C=C\c1cncc([O-])c1)N1CCOc2ccncc21 ZINC000492477179 332399452 /nfs/dbraw/zinc/39/94/52/332399452.db2.gz UUAYJFNETMIUEG-UPHRSURJSA-N -1 3 283.287 1.621 20 10 CDCDHM CC[C@H](CCO)CNC(=O)c1cccc(O)c1[O-] ZINC000126633421 522139595 /nfs/dbraw/zinc/13/95/95/522139595.db2.gz HHNHNLMUTVVEAQ-SECBINFHSA-N -1 3 253.298 1.236 20 10 CDCDHM COCCN(Cc1c([O-])cccc1Cl)[C@@H](C)C(N)=O ZINC000119929529 523740606 /nfs/dbraw/zinc/74/06/06/523740606.db2.gz FDSARTYSOWZZPA-VIFPVBQESA-N -1 3 286.759 1.368 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](n2cccn2)C1 ZINC000291145731 526771847 /nfs/dbraw/zinc/77/18/47/526771847.db2.gz IBQWFXQJPKUNNP-SNVBAGLBSA-N -1 3 273.292 1.382 20 10 CDCDHM O=C(N[C@@H](CO)CC1CCC1)c1cccc(O)c1[O-] ZINC000280307959 526858201 /nfs/dbraw/zinc/85/82/01/526858201.db2.gz SQYQJYQNPWGHBM-SNVBAGLBSA-N -1 3 265.309 1.379 20 10 CDCDHM NC(=O)CC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000297352177 526863711 /nfs/dbraw/zinc/86/37/11/526863711.db2.gz GQMDHONTQNWWFE-UHFFFAOYSA-N -1 3 254.717 1.353 20 10 CDCDHM CN(C[C@H]1CCCOC1)C(=O)c1cc([O-])cs1 ZINC000732289614 575087151 /nfs/dbraw/zinc/08/71/51/575087151.db2.gz IXNDJQMYMYPUJS-SECBINFHSA-N -1 3 255.339 1.952 20 10 CDCDHM O=C(OCCN1CCOC1=O)c1cc([O-])cs1 ZINC000732354402 575088127 /nfs/dbraw/zinc/08/81/27/575088127.db2.gz LEQSAEYWYWDBSV-UHFFFAOYSA-N -1 3 257.267 1.063 20 10 CDCDHM CC(C)C(=O)NCCCNC(=O)c1cc([O-])cs1 ZINC000765234277 576000777 /nfs/dbraw/zinc/00/07/77/576000777.db2.gz RAWULWXNLDBBGJ-UHFFFAOYSA-N -1 3 270.354 1.346 20 10 CDCDHM CC(C)OC(=O)CCCNC(=O)c1cc([O-])cs1 ZINC000765866877 576061528 /nfs/dbraw/zinc/06/15/28/576061528.db2.gz VLUJAMWPSMDFFI-UHFFFAOYSA-N -1 3 271.338 1.915 20 10 CDCDHM O=C(N[C@H]1Cc2cccc(O)c2C1)c1cccc(O)c1[O-] ZINC000760609184 576496593 /nfs/dbraw/zinc/49/65/93/576496593.db2.gz JJSOYUZVVTYFHH-JTQLQIEISA-N -1 3 285.299 1.701 20 10 CDCDHM C[C@H](N[C@@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756524450 576993751 /nfs/dbraw/zinc/99/37/51/576993751.db2.gz FTMNVAOKHOWCDG-IONNQARKSA-N -1 3 270.279 1.552 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc[nH]n2)c1 ZINC000756555046 576995445 /nfs/dbraw/zinc/99/54/45/576995445.db2.gz RKZHUETUDYQMAO-VIFPVBQESA-N -1 3 275.308 1.753 20 10 CDCDHM COC(=O)N1CC(N[C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756760048 577003314 /nfs/dbraw/zinc/00/33/14/577003314.db2.gz NNUVOFPCRPCLBT-SSDOTTSWSA-N -1 3 286.278 1.772 20 10 CDCDHM COC(=O)[C@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000752808222 577128886 /nfs/dbraw/zinc/12/88/86/577128886.db2.gz ROASFKKZMYMLGC-SECBINFHSA-N -1 3 255.295 1.135 20 10 CDCDHM C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339219 1163156964 /nfs/dbraw/zinc/15/69/64/1163156964.db2.gz UTKLEMZTGLNZHM-PWSUYJOCSA-N -1 3 294.351 1.072 20 10 CDCDHM C[C@H]([NH2+][C@H](CCO)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326889 1163152184 /nfs/dbraw/zinc/15/21/84/1163152184.db2.gz UMGCTJSCLGGMHL-TVQRCGJNSA-N -1 3 279.336 1.902 20 10 CDCDHM COc1ccc(C[NH2+][C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c([O-])c1 ZINC001607260016 1164138089 /nfs/dbraw/zinc/13/80/89/1164138089.db2.gz LXLNXFPPXSCFAD-UZGDPCLZSA-N -1 3 291.347 1.990 20 10 CDCDHM O=C(Nc1ccc(CO)cc1)c1cccc(O)c1[O-] ZINC000126527090 1175472661 /nfs/dbraw/zinc/47/26/61/1175472661.db2.gz WKNWZODQPGQHBX-UHFFFAOYSA-N -1 3 259.261 1.842 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)S1=O ZINC000791181225 736344885 /nfs/dbraw/zinc/34/48/85/736344885.db2.gz HUJWYBVTZQCXBR-RKDXNWHRSA-N -1 3 283.349 1.079 20 10 CDCDHM CN(C[C@H](O)C(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000193152808 736433146 /nfs/dbraw/zinc/43/31/46/736433146.db2.gz ZHKAZTLAVFEMPR-QMMMGPOBSA-N -1 3 279.214 1.093 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCc2ncccc2C1 ZINC000790902295 736876045 /nfs/dbraw/zinc/87/60/45/736876045.db2.gz UYPJDESJKRUTPP-UHFFFAOYSA-N -1 3 270.288 1.691 20 10 CDCDHM O=C(NOCC(F)(F)F)c1cccc(O)c1[O-] ZINC000126610794 737303558 /nfs/dbraw/zinc/30/35/58/737303558.db2.gz ONGTWAKVPPHLLY-UHFFFAOYSA-N -1 3 251.160 1.322 20 10 CDCDHM CC(=O)N[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708398578 738874079 /nfs/dbraw/zinc/87/40/79/738874079.db2.gz HOANMBFHSYVYKA-LLVKDONJSA-N -1 3 270.279 1.381 20 10 CDCDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1nncn1C ZINC000708494563 739183451 /nfs/dbraw/zinc/18/34/51/739183451.db2.gz LYFJOMPGRVBRQO-SSDOTTSWSA-N -1 3 268.267 1.650 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877764853 738317116 /nfs/dbraw/zinc/31/71/16/738317116.db2.gz NGFMGXKPUNBGOC-DTORHVGOSA-N -1 3 289.734 1.217 20 10 CDCDHM CC[C@]1(O)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790944495 738322764 /nfs/dbraw/zinc/32/27/64/738322764.db2.gz ZPTZWOUECBFCOE-ZDUSSCGKSA-N -1 3 251.282 1.085 20 10 CDCDHM CN1CCN(Cc2cccc(Cl)c2[O-])[C@H](CO)C1 ZINC000877645012 1166072829 /nfs/dbraw/zinc/07/28/29/1166072829.db2.gz YEUOPUHFHOFPKD-NSHDSACASA-N -1 3 270.760 1.154 20 10 CDCDHM C[C@@H]1CN(C2CN(Cc3cccc(F)c3[O-])C2)C[C@@H](C)O1 ZINC001138130571 936476253 /nfs/dbraw/zinc/47/62/53/936476253.db2.gz CTGMSABKUVTYJR-VXGBXAGGSA-N -1 3 294.370 1.825 20 10 CDCDHM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(F)ccc1[O-] ZINC001140058225 936674760 /nfs/dbraw/zinc/67/47/60/936674760.db2.gz VPAQRYQMBILQOV-MNOVXSKESA-N -1 3 271.263 1.617 20 10 CDCDHM CCc1onc(C)c1CNC(=O)c1cccc(O)c1[O-] ZINC000886673371 930937455 /nfs/dbraw/zinc/93/74/55/930937455.db2.gz KSYSTIRKHPOKEU-UHFFFAOYSA-N -1 3 276.292 1.887 20 10 CDCDHM COC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001148212540 932668320 /nfs/dbraw/zinc/66/83/20/932668320.db2.gz CWOSWEBWLWETIZ-UHFFFAOYSA-N -1 3 288.259 1.532 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(n2cnnc2)CC1 ZINC001148218443 932670836 /nfs/dbraw/zinc/67/08/36/932670836.db2.gz CZMGQQWWBJVNSB-UHFFFAOYSA-N -1 3 288.307 1.167 20 10 CDCDHM COc1cnccc1CCNC(=O)c1cccc(O)c1[O-] ZINC001148225584 932674039 /nfs/dbraw/zinc/67/40/39/932674039.db2.gz QEVYEBAIIQMRMQ-UHFFFAOYSA-N -1 3 288.303 1.474 20 10 CDCDHM CNc1ccccc1NCC[N-]C(=O)C(F)(F)F ZINC001164250904 939441491 /nfs/dbraw/zinc/44/14/91/939441491.db2.gz FZPCLUMQQWLFTJ-UHFFFAOYSA-N -1 3 261.247 1.819 20 10 CDCDHM COc1ccc(CN2C[C@@H](F)[C@@H](N)C2)c([O-])c1Cl ZINC001204836546 939796876 /nfs/dbraw/zinc/79/68/76/939796876.db2.gz HKJMJUXXFOOUQI-BDAKNGLRSA-N -1 3 274.723 1.535 20 10 CDCDHM C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]12 ZINC001231454871 942899333 /nfs/dbraw/zinc/89/93/33/942899333.db2.gz JXMGATXLWIGHPM-GAJTVXKRSA-N -1 3 277.320 1.557 20 10 CDCDHM C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]12 ZINC001231454871 942899338 /nfs/dbraw/zinc/89/93/38/942899338.db2.gz JXMGATXLWIGHPM-GAJTVXKRSA-N -1 3 277.320 1.557 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001231560297 942925769 /nfs/dbraw/zinc/92/57/69/942925769.db2.gz GBIWNMUDFMZKSA-HNNXBMFYSA-N -1 3 277.320 1.703 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001231560297 942925775 /nfs/dbraw/zinc/92/57/75/942925775.db2.gz GBIWNMUDFMZKSA-HNNXBMFYSA-N -1 3 277.320 1.703 20 10 CDCDHM COC[C@@H]1COCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232263831 943194179 /nfs/dbraw/zinc/19/41/79/943194179.db2.gz WOSFBSJFXFECQY-SNVBAGLBSA-N -1 3 287.743 1.598 20 10 CDCDHM [O-]c1cc(O)c(CN2CC(N3CCOCC3)C2)cc1Cl ZINC001232264356 943195554 /nfs/dbraw/zinc/19/55/54/943195554.db2.gz AKXMPHQGOKQGAF-UHFFFAOYSA-N -1 3 298.770 1.268 20 10 CDCDHM O=C1CCN(Cc2c([O-])ccc(F)c2F)C[C@H]2CCCN12 ZINC001233336311 943549385 /nfs/dbraw/zinc/54/93/85/943549385.db2.gz HLTCFXFLNPQRMY-SNVBAGLBSA-N -1 3 296.317 1.867 20 10 CDCDHM CCNC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452204 943587587 /nfs/dbraw/zinc/58/75/87/943587587.db2.gz NSWWUFZZFNDCFQ-UHFFFAOYSA-N -1 3 290.285 1.979 20 10 CDCDHM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCc2nccn2C1 ZINC001234476504 943860591 /nfs/dbraw/zinc/86/05/91/943860591.db2.gz MQXSCIRDKYNUCC-JTQLQIEISA-N -1 3 288.303 1.891 20 10 CDCDHM Cc1nnc2n1CCN(C(=O)c1cccc(O)c1[O-])[C@H]2C ZINC001306033781 956295449 /nfs/dbraw/zinc/29/54/49/956295449.db2.gz LEZAPOGPEDGDEF-QMMMGPOBSA-N -1 3 288.307 1.215 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CNCc1nnc2n1CCOC2 ZINC001308730733 956570339 /nfs/dbraw/zinc/57/03/39/956570339.db2.gz IKXAPBCNOVYYHF-UHFFFAOYSA-N -1 3 296.277 1.082 20 10 CDCDHM CC(=O)NCC[N@H+](Cc1ccc(C)cc1[O-])[C@@H](C)C(=O)[O-] ZINC001588515187 958793173 /nfs/dbraw/zinc/79/31/73/958793173.db2.gz XGFYRASPZHKMKJ-NSHDSACASA-N -1 3 294.351 1.112 20 10 CDCDHM CC(=O)NCC[N@@H+](Cc1ccc(C)cc1[O-])[C@@H](C)C(=O)[O-] ZINC001588515187 958793190 /nfs/dbraw/zinc/79/31/90/958793190.db2.gz XGFYRASPZHKMKJ-NSHDSACASA-N -1 3 294.351 1.112 20 10 CDCDHM C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593207874 994220328 /nfs/dbraw/zinc/22/03/28/994220328.db2.gz FDAKYOXBIUVRDA-BXKDBHETSA-N -1 3 279.336 1.902 20 10 CDCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])N(C)C ZINC001593239936 994425754 /nfs/dbraw/zinc/42/57/54/994425754.db2.gz IMZIXUKQKXFULI-ZJUUUORDSA-N -1 3 266.341 1.691 20 10 CDCDHM C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286443 994644885 /nfs/dbraw/zinc/64/48/85/994644885.db2.gz SVHNHXBYNFAEAL-ZYHUDNBSSA-N -1 3 278.352 1.835 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001599680369 994970430 /nfs/dbraw/zinc/97/04/30/994970430.db2.gz NBWMIFDIJIEJSU-SNVBAGLBSA-N -1 3 297.376 1.650 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001599680369 994970441 /nfs/dbraw/zinc/97/04/41/994970441.db2.gz NBWMIFDIJIEJSU-SNVBAGLBSA-N -1 3 297.376 1.650 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC001599680599 994975047 /nfs/dbraw/zinc/97/50/47/994975047.db2.gz ZKGOKYGYZYLFOQ-SNVBAGLBSA-N -1 3 265.309 1.840 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC001599680599 994975057 /nfs/dbraw/zinc/97/50/57/994975057.db2.gz ZKGOKYGYZYLFOQ-SNVBAGLBSA-N -1 3 265.309 1.840 20 10 CDCDHM C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593359593 995019655 /nfs/dbraw/zinc/01/96/55/995019655.db2.gz JVTMNFZEJOKLAW-KKZNHRDASA-N -1 3 265.309 1.512 20 10 CDCDHM COc1cc(C)c(C[N@H+](C)C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC001599390641 997029529 /nfs/dbraw/zinc/02/95/29/997029529.db2.gz HQQNWCXZPDRGOH-SNVBAGLBSA-N -1 3 267.325 1.862 20 10 CDCDHM COc1cc(C)c(C[N@@H+](C)C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC001599390641 997029544 /nfs/dbraw/zinc/02/95/44/997029544.db2.gz HQQNWCXZPDRGOH-SNVBAGLBSA-N -1 3 267.325 1.862 20 10 CDCDHM CCCCN(CC(N)=O)Cc1cc(F)ccc1[O-] ZINC000179942370 357232320 /nfs/dbraw/zinc/23/23/20/357232320.db2.gz HRSGTKPRESALFQ-UHFFFAOYSA-N -1 3 254.305 1.619 20 10 CDCDHM CC(C)(C)[S@](=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000187089286 357726570 /nfs/dbraw/zinc/72/65/70/357726570.db2.gz KXGMGANMBBVZIE-LJQANCHMSA-N -1 3 285.365 1.375 20 10 CDCDHM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(O)c1[O-] ZINC000193134296 358268295 /nfs/dbraw/zinc/26/82/95/358268295.db2.gz OSZQJQOKOGLODY-IRUJWGPZSA-N -1 3 277.320 1.785 20 10 CDCDHM COC(=O)N1CC(N[C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000276863294 291181329 /nfs/dbraw/zinc/18/13/29/291181329.db2.gz CWAXOFAJXUUKND-ZETCQYMHSA-N -1 3 286.278 1.772 20 10 CDCDHM CN1C[C@@H](NCc2c([O-])cccc2Cl)CC1=O ZINC000264999328 360391949 /nfs/dbraw/zinc/39/19/49/360391949.db2.gz ZBUZNBBGEBZMSR-QMMMGPOBSA-N -1 3 254.717 1.366 20 10 CDCDHM CCOc1ccc([O-])c([C@H]2NC(=O)[C@H]3CSCCN32)c1 ZINC000270815701 364773377 /nfs/dbraw/zinc/77/33/77/364773377.db2.gz QVAKDRYTNWTNNO-YPMHNXCESA-N -1 3 294.376 1.337 20 10 CDCDHM CCN(CC)C(=O)N1CCN(Cc2ccccc2[O-])CC1 ZINC000271276522 364980097 /nfs/dbraw/zinc/98/00/97/364980097.db2.gz NAOHWOYCTZUAME-UHFFFAOYSA-N -1 3 291.395 1.972 20 10 CDCDHM CC(C)N1CCN(Cc2cc(F)ccc2[O-])CC1=O ZINC000272507743 365269381 /nfs/dbraw/zinc/26/93/81/365269381.db2.gz IKHSHUKQVRJKEO-UHFFFAOYSA-N -1 3 266.316 1.584 20 10 CDCDHM C[C@H](O)CN1CCN(Cc2cccc(Cl)c2[O-])[C@@H](C)C1 ZINC000281129857 367593929 /nfs/dbraw/zinc/59/39/29/367593929.db2.gz YEKPLKSSWVHKDE-RYUDHWBXSA-N -1 3 298.814 1.933 20 10 CDCDHM COCc1nnc(Sc2ncc([N+](=O)[O-])s2)[n-]1 ZINC000281769471 367685828 /nfs/dbraw/zinc/68/58/28/367685828.db2.gz DCEKIHQWQWIIIE-UHFFFAOYSA-N -1 3 273.299 1.467 20 10 CDCDHM COCc1n[n-]c(Sc2ncc([N+](=O)[O-])s2)n1 ZINC000281769471 367685837 /nfs/dbraw/zinc/68/58/37/367685837.db2.gz DCEKIHQWQWIIIE-UHFFFAOYSA-N -1 3 273.299 1.467 20 10 CDCDHM COCc1nc(Sc2ncc([N+](=O)[O-])s2)n[n-]1 ZINC000281769471 367685844 /nfs/dbraw/zinc/68/58/44/367685844.db2.gz DCEKIHQWQWIIIE-UHFFFAOYSA-N -1 3 273.299 1.467 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)[S@@]1=O ZINC000287211149 369123594 /nfs/dbraw/zinc/12/35/94/369123594.db2.gz IITIWSCIFICKPH-AUKWLOTRSA-N -1 3 297.376 1.469 20 10 CDCDHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295217167 371154556 /nfs/dbraw/zinc/15/45/56/371154556.db2.gz XVSUYAINPCNVCD-KCJUWKMLSA-N -1 3 294.326 1.449 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](C2CCOCC2)C1 ZINC000365962417 296253907 /nfs/dbraw/zinc/25/39/07/296253907.db2.gz DARCIZWIYOIZIQ-LBPRGKRZSA-N -1 3 291.347 1.987 20 10 CDCDHM Cc1cc(NC(=O)CN(C)Cc2ccccc2[O-])no1 ZINC000109771853 390648523 /nfs/dbraw/zinc/64/85/23/390648523.db2.gz SCYTXFQJERTLQX-UHFFFAOYSA-N -1 3 275.308 1.759 20 10 CDCDHM CCCOc1ccc(CN(C)CC(N)=O)c([O-])c1 ZINC000132137149 390931206 /nfs/dbraw/zinc/93/12/06/390931206.db2.gz RCMNGSRDCYZKPT-UHFFFAOYSA-N -1 3 252.314 1.098 20 10 CDCDHM CN(C)C(=O)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000037225365 173045672 /nfs/dbraw/zinc/04/56/72/173045672.db2.gz DXRSKHZENWYEBM-UHFFFAOYSA-N -1 3 277.151 1.877 20 10 CDCDHM CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000177684852 261712683 /nfs/dbraw/zinc/71/26/83/261712683.db2.gz YVMAWLLUSQTBFV-SNVBAGLBSA-N -1 3 292.335 1.004 20 10 CDCDHM COC(=O)[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000360079702 329071431 /nfs/dbraw/zinc/07/14/31/329071431.db2.gz PPOIXOXWWKGYES-NSHDSACASA-N -1 3 285.727 1.419 20 10 CDCDHM COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000126350783 523566218 /nfs/dbraw/zinc/56/62/18/523566218.db2.gz WNSMPZQDXDDTLZ-SNVBAGLBSA-N -1 3 281.308 1.415 20 10 CDCDHM CN1C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000726797749 574506590 /nfs/dbraw/zinc/50/65/90/574506590.db2.gz WAOLSVXIWGEPJM-VIFPVBQESA-N -1 3 299.714 1.274 20 10 CDCDHM CCn1cnnc1CCNC(=O)c1cc([O-])cs1 ZINC000735515884 575481316 /nfs/dbraw/zinc/48/13/16/575481316.db2.gz CQWFJHBJRQUAIO-UHFFFAOYSA-N -1 3 266.326 1.038 20 10 CDCDHM CNC(=O)[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732293564 575087220 /nfs/dbraw/zinc/08/72/20/575087220.db2.gz MXIUFMKIBQUUNX-QMMMGPOBSA-N -1 3 268.338 1.052 20 10 CDCDHM O=C(NCc1nncn1C1CC1)c1cc([O-])cs1 ZINC000733807557 575139142 /nfs/dbraw/zinc/13/91/42/575139142.db2.gz YJAXQNYKVSGTAV-UHFFFAOYSA-N -1 3 264.310 1.310 20 10 CDCDHM O=C([O-])C1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000739563768 576256724 /nfs/dbraw/zinc/25/67/24/576256724.db2.gz IZDKOVNCZFJXGF-UHFFFAOYSA-N -1 3 293.319 1.854 20 10 CDCDHM CCOc1ccc(CN(CCOC)[C@H](C)C(N)=O)c([O-])c1 ZINC000769339446 576347457 /nfs/dbraw/zinc/34/74/57/576347457.db2.gz ZJYYDQVKAKTGQF-LLVKDONJSA-N -1 3 296.367 1.113 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](CO)C1 ZINC000769395500 576351483 /nfs/dbraw/zinc/35/14/83/576351483.db2.gz IGDMKIMAWCLTOG-LLVKDONJSA-N -1 3 257.717 1.239 20 10 CDCDHM CCO[C@H]1COCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000760448896 576485094 /nfs/dbraw/zinc/48/50/94/576485094.db2.gz OWKXINMEDFWBFG-UWVGGRQHSA-N -1 3 271.338 1.378 20 10 CDCDHM COC(=O)C[C@@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000754036198 576874798 /nfs/dbraw/zinc/87/47/98/576874798.db2.gz ISIREMVMFUQBAQ-SECBINFHSA-N -1 3 269.322 1.525 20 10 CDCDHM CN(C(=O)CNC(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000748512810 576915769 /nfs/dbraw/zinc/91/57/69/576915769.db2.gz NCFDUNOHQGQDNO-UHFFFAOYSA-N -1 3 296.392 1.975 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000901865573 618307862 /nfs/dbraw/zinc/30/78/62/618307862.db2.gz QCFYGXJQELXXRB-OAHLLOKOSA-N -1 3 279.336 1.705 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000901865573 618307871 /nfs/dbraw/zinc/30/78/71/618307871.db2.gz QCFYGXJQELXXRB-OAHLLOKOSA-N -1 3 279.336 1.705 20 10 CDCDHM COC1(CO)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894578276 618963923 /nfs/dbraw/zinc/96/39/23/618963923.db2.gz IFBKAYURDMYYAI-UHFFFAOYSA-N -1 3 287.306 1.644 20 10 CDCDHM C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(F)ccc2[O-])[C@H]1C ZINC000895119099 619312835 /nfs/dbraw/zinc/31/28/35/619312835.db2.gz VGVMPHMYJRUPAQ-GUBZILKMSA-N -1 3 266.316 1.629 20 10 CDCDHM O=C(NCc1ccc(O)c(O)c1)c1ccc(O)cc1[O-] ZINC000035804205 1165745754 /nfs/dbraw/zinc/74/57/54/1165745754.db2.gz UQXMRXHSCJSLFT-UHFFFAOYSA-N -1 3 275.260 1.439 20 10 CDCDHM C[C@H]1OCCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000193137500 739406725 /nfs/dbraw/zinc/40/67/25/739406725.db2.gz VCYNZSBBIIDNFI-DTWKUNHWSA-N -1 3 251.282 1.347 20 10 CDCDHM CCN1CCN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H]1C ZINC000827311180 740817092 /nfs/dbraw/zinc/81/70/92/740817092.db2.gz WPAGCIFNLPAPMJ-SECBINFHSA-N -1 3 282.315 1.403 20 10 CDCDHM O=C(CNCc1c([O-])ccc(Cl)c1F)NCC(F)F ZINC000795593510 740938380 /nfs/dbraw/zinc/93/83/80/740938380.db2.gz COWQHIHVLFXJGY-UHFFFAOYSA-N -1 3 296.676 1.656 20 10 CDCDHM CC(C)CC[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000862778660 740977053 /nfs/dbraw/zinc/97/70/53/740977053.db2.gz KDQXPAQBDKBNLP-JTQLQIEISA-N -1 3 267.325 1.625 20 10 CDCDHM Cc1ccc([C@@H](O)CNC(=O)c2cccc(O)c2[O-])o1 ZINC000790769744 741376647 /nfs/dbraw/zinc/37/66/47/741376647.db2.gz XXKIPWMBXQWDIU-NSHDSACASA-N -1 3 277.276 1.463 20 10 CDCDHM COCCOCCCCNC(=O)c1cccc(O)c1[O-] ZINC000126543157 741806079 /nfs/dbraw/zinc/80/60/79/741806079.db2.gz SRXKDDKNFBJTCR-UHFFFAOYSA-N -1 3 283.324 1.271 20 10 CDCDHM C[C@@H](Cn1cccn1)NC(=O)c1cccc(O)c1[O-] ZINC000126294654 739804575 /nfs/dbraw/zinc/80/45/75/739804575.db2.gz GPIOLYZXBRUEKS-VIFPVBQESA-N -1 3 261.281 1.113 20 10 CDCDHM Cc1cc([O-])c(CN2CC(=O)N(C)C2)cc1Cl ZINC000825474347 740277863 /nfs/dbraw/zinc/27/78/63/740277863.db2.gz ASNAMQBCKDWAFS-UHFFFAOYSA-N -1 3 254.717 1.586 20 10 CDCDHM CNC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000186856952 741479127 /nfs/dbraw/zinc/47/91/27/741479127.db2.gz IDMJCHRPNKNSMN-UHFFFAOYSA-N -1 3 286.287 1.710 20 10 CDCDHM COC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000381431746 741571211 /nfs/dbraw/zinc/57/12/11/741571211.db2.gz USYDVOLRZOZEGC-AWEZNQCLSA-N -1 3 283.299 1.454 20 10 CDCDHM COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000381431746 741571222 /nfs/dbraw/zinc/57/12/22/741571222.db2.gz USYDVOLRZOZEGC-AWEZNQCLSA-N -1 3 283.299 1.454 20 10 CDCDHM COc1c([O-])c(CN(C)Cc2c[nH]cn2)ccc1[N+](=O)[O-] ZINC000826770702 741589249 /nfs/dbraw/zinc/58/92/49/741589249.db2.gz ZQVQQZXAEYTMID-UHFFFAOYSA-N -1 3 292.295 1.664 20 10 CDCDHM O=C(NC[C@H](O)Cc1ccccc1)c1cccc(O)c1[O-] ZINC000187073895 742060688 /nfs/dbraw/zinc/06/06/88/742060688.db2.gz CSNKYINGSKCWDO-GFCCVEGCSA-N -1 3 287.315 1.431 20 10 CDCDHM C[C@@H]1CCN(S(=O)(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000830185148 742545331 /nfs/dbraw/zinc/54/53/31/742545331.db2.gz VPUVJDNJAVHKOW-SSDOTTSWSA-N -1 3 292.307 1.669 20 10 CDCDHM COC(=O)[C@H]1[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142527170 908866285 /nfs/dbraw/zinc/86/62/85/908866285.db2.gz MXGARPCPNGSUGT-WOFXILAISA-N -1 3 283.274 1.521 20 10 CDCDHM CCOC(=O)C1CN(Cc2cccc(F)c2[O-])C1 ZINC001138127701 936475039 /nfs/dbraw/zinc/47/50/39/936475039.db2.gz NCVIFQOBZMJUBL-UHFFFAOYSA-N -1 3 253.273 1.526 20 10 CDCDHM O=C(NCc1ccccc1O)c1[n-]c(=O)ccc1Cl ZINC001184811337 919291799 /nfs/dbraw/zinc/29/17/99/919291799.db2.gz DDCGWGJDAAIFDH-UHFFFAOYSA-N -1 3 278.695 1.502 20 10 CDCDHM COC(=O)[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140582997 936727075 /nfs/dbraw/zinc/72/70/75/936727075.db2.gz SLZHGTDBDGFOSL-QMMMGPOBSA-N -1 3 271.263 1.665 20 10 CDCDHM O=C(NC[C@H]1CCC[C@@H](O)C1)c1cccc(O)c1[O-] ZINC000187124251 923669559 /nfs/dbraw/zinc/66/95/59/923669559.db2.gz YANBWGITWTXVMJ-VHSXEESVSA-N -1 3 265.309 1.379 20 10 CDCDHM CCOC(=O)[C@H]1[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139685142 937422319 /nfs/dbraw/zinc/42/23/19/937422319.db2.gz AIYRRTVWLHGGKS-WOFXILAISA-N -1 3 297.301 1.911 20 10 CDCDHM O=C(Nc1cccc2c1CC(=O)NC2)c1cccc(O)c1[O-] ZINC001148218402 932670340 /nfs/dbraw/zinc/67/03/40/932670340.db2.gz AOZMSQQXNZRMNC-UHFFFAOYSA-N -1 3 298.298 1.522 20 10 CDCDHM CN1CCC12CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001276471453 939771407 /nfs/dbraw/zinc/77/14/07/939771407.db2.gz XBVIOTRWNMUOKM-UHFFFAOYSA-N -1 3 254.280 1.560 20 10 CDCDHM NC(=O)[C@]12C[C@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001277457571 942626389 /nfs/dbraw/zinc/62/63/89/942626389.db2.gz JUSOMVPEAWOUKZ-RNCFNFMXSA-N -1 3 266.728 1.495 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](CO)[C@H](O)C1 ZINC001231910987 943052759 /nfs/dbraw/zinc/05/27/59/943052759.db2.gz XOOTZAWVPFMKFT-ZYHUDNBSSA-N -1 3 271.744 1.221 20 10 CDCDHM CCOC(=O)CN(C)Cc1cc(Cl)c([O-])cc1O ZINC001232257310 943190951 /nfs/dbraw/zinc/19/09/51/943190951.db2.gz CGQOETQNKVFPSG-UHFFFAOYSA-N -1 3 273.716 1.746 20 10 CDCDHM CN(C)C(=O)C1CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334642 943546157 /nfs/dbraw/zinc/54/61/57/943546157.db2.gz OKMHEDMTWGGDAS-UHFFFAOYSA-N -1 3 270.279 1.190 20 10 CDCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(O)c(N)c1 ZINC000722232054 944183702 /nfs/dbraw/zinc/18/37/02/944183702.db2.gz MLDSTJVTKQNPMW-UHFFFAOYSA-N -1 3 294.332 1.789 20 10 CDCDHM Cc1nccnc1CNC(=O)c1cccc(O)c1[O-] ZINC000700103659 944290625 /nfs/dbraw/zinc/29/06/25/944290625.db2.gz ILUAMPMTCGLHNG-UHFFFAOYSA-N -1 3 259.265 1.126 20 10 CDCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H](O)[C@@H](CO)C1 ZINC001236792061 944571015 /nfs/dbraw/zinc/57/10/15/944571015.db2.gz AYRNGDOKDACGBJ-PELKAZGASA-N -1 3 292.162 1.484 20 10 CDCDHM CCCN(CC(=O)N(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001308580313 956551232 /nfs/dbraw/zinc/55/12/32/956551232.db2.gz QRMKWUXUGUJCSC-UHFFFAOYSA-N -1 3 286.322 1.971 20 10 CDCDHM CCc1cc(NC(=O)c2ccc(C)c(O)c2[O-])n(C)n1 ZINC001320794056 959395118 /nfs/dbraw/zinc/39/51/18/959395118.db2.gz ZYZPWQDOOOOUKD-UHFFFAOYSA-N -1 3 275.308 1.954 20 10 CDCDHM CC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])nc1 ZINC001321451102 959791786 /nfs/dbraw/zinc/79/17/86/959791786.db2.gz XFFHZHPMKRSVCF-UHFFFAOYSA-N -1 3 287.275 1.704 20 10 CDCDHM C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593359592 995019834 /nfs/dbraw/zinc/01/98/34/995019834.db2.gz JVTMNFZEJOKLAW-ATZCPNFKSA-N -1 3 265.309 1.512 20 10 CDCDHM Clc1cnc(Sc2cc(-c3nnn[n-]3)cnn2)s1 ZINC001592538776 1173914578 /nfs/dbraw/zinc/91/45/78/1173914578.db2.gz OWQRPKQUDISAHA-UHFFFAOYSA-N -1 3 297.756 1.918 20 10 CDCDHM Clc1cnc(Sc2cc(-c3nn[n-]n3)cnn2)s1 ZINC001592538776 1173914583 /nfs/dbraw/zinc/91/45/83/1173914583.db2.gz OWQRPKQUDISAHA-UHFFFAOYSA-N -1 3 297.756 1.918 20 10 CDCDHM CN1CC(=O)N[C@H]1c1cc(Br)ccc1[O-] ZINC000298776008 282674375 /nfs/dbraw/zinc/67/43/75/282674375.db2.gz HNQZGVGOOUZEBD-SNVBAGLBSA-N -1 3 271.114 1.215 20 10 CDCDHM CC(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179867181 357228138 /nfs/dbraw/zinc/22/81/38/357228138.db2.gz FRVSSAIKFWTBIL-UHFFFAOYSA-N -1 3 252.289 1.195 20 10 CDCDHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(F)ccc1[O-] ZINC000180159585 357247990 /nfs/dbraw/zinc/24/79/90/357247990.db2.gz MLJJAFRGQNYEMK-NXEZZACHSA-N -1 3 289.372 1.785 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2C[C@H](O)C2(C)C)c([O-])c1O ZINC000190590285 358082980 /nfs/dbraw/zinc/08/29/80/358082980.db2.gz IXEQGFHEWLUUFR-ZJUUUORDSA-N -1 3 265.309 1.295 20 10 CDCDHM COC1(CCNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000293831836 358319503 /nfs/dbraw/zinc/31/95/03/358319503.db2.gz GNXPIHKWTKUEMC-UHFFFAOYSA-N -1 3 265.309 1.787 20 10 CDCDHM COc1cc(Cl)cc(CN2CC(NC(C)=O)C2)c1[O-] ZINC000297517756 200216171 /nfs/dbraw/zinc/21/61/71/200216171.db2.gz WMNQKUREIOAKCS-UHFFFAOYSA-N -1 3 284.743 1.375 20 10 CDCDHM CC(=O)NC[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000271173743 364961060 /nfs/dbraw/zinc/96/10/60/364961060.db2.gz ISBHTJFARAKVAR-LLVKDONJSA-N -1 3 298.770 1.383 20 10 CDCDHM COC(=O)[C@]1(F)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000271309113 364978894 /nfs/dbraw/zinc/97/88/94/364978894.db2.gz VCJISYFGVZNGFY-AWEZNQCLSA-N -1 3 297.282 1.133 20 10 CDCDHM CCc1nnc(CNCc2cc(F)ccc2[O-])[nH]1 ZINC000296042424 371405652 /nfs/dbraw/zinc/40/56/52/371405652.db2.gz OEHZUSLWZJLOQS-UHFFFAOYSA-N -1 3 250.277 1.502 20 10 CDCDHM O=C1CO[C@H]2CCN(Cc3cccc(Cl)c3[O-])C[C@@H]2N1 ZINC000366774111 374169347 /nfs/dbraw/zinc/16/93/47/374169347.db2.gz LHKYPXVQCSBNNZ-RYUDHWBXSA-N -1 3 296.754 1.135 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CC[C@H](CO)CC2)c([O-])c1O ZINC000182820601 391245814 /nfs/dbraw/zinc/24/58/14/391245814.db2.gz OTZABYSXMRXTKG-PHIMTYICSA-N -1 3 279.336 1.687 20 10 CDCDHM COc1cc(Cl)cc(CN(C)Cc2nncn2C)c1[O-] ZINC000290059832 391989945 /nfs/dbraw/zinc/98/99/45/391989945.db2.gz FEDIWIAYALTIPF-UHFFFAOYSA-N -1 3 296.758 1.815 20 10 CDCDHM COc1cc(Cl)cc(CN2CCNC(=O)CC2)c1[O-] ZINC000184688995 262025791 /nfs/dbraw/zinc/02/57/91/262025791.db2.gz NBMJMVPIHRGEBG-UHFFFAOYSA-N -1 3 284.743 1.376 20 10 CDCDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccccc1[O-] ZINC000360001738 329069789 /nfs/dbraw/zinc/06/97/89/329069789.db2.gz WOPODKIIWWGGTG-QWHCGFSZSA-N -1 3 279.336 1.545 20 10 CDCDHM [O-]c1ccccc1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000179585840 329210038 /nfs/dbraw/zinc/21/00/38/329210038.db2.gz IAOCGWJPJLYFRL-LSDHHAIUSA-N -1 3 263.337 1.772 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000180266085 329219120 /nfs/dbraw/zinc/21/91/20/329219120.db2.gz CMVGZZHGYWMPBA-LSDHHAIUSA-N -1 3 281.327 1.911 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(CC(N)=O)CC(C)C)c1[O-] ZINC000050146209 518285039 /nfs/dbraw/zinc/28/50/39/518285039.db2.gz IZRYYOAIZZFSBZ-UHFFFAOYSA-N -1 3 296.342 1.677 20 10 CDCDHM CCCNC(=O)CN(CCC)C(=O)c1cccc(O)c1[O-] ZINC000274915178 519875332 /nfs/dbraw/zinc/87/53/32/519875332.db2.gz VRFNSYHWCGBGLU-UHFFFAOYSA-N -1 3 294.351 1.476 20 10 CDCDHM CCS(=O)(=O)CCN(C)Cc1c([O-])cccc1Cl ZINC000130614253 521639269 /nfs/dbraw/zinc/63/92/69/521639269.db2.gz BFLSJSUXEVAEBM-UHFFFAOYSA-N -1 3 291.800 1.912 20 10 CDCDHM CCc1nnc([C@@H](C)NC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000279854661 522418042 /nfs/dbraw/zinc/41/80/42/522418042.db2.gz PHQOYYGBLNIZRR-SSDOTTSWSA-N -1 3 276.296 1.269 20 10 CDCDHM COC(=O)[C@]1(C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279074261 524010568 /nfs/dbraw/zinc/01/05/68/524010568.db2.gz DHSOJXCHKNDOPE-CQSZACIVSA-N -1 3 279.292 1.123 20 10 CDCDHM C[C@@H]1CCN(Cc2ccccc2[O-])CC[S@@]1=O ZINC000277655736 524513491 /nfs/dbraw/zinc/51/34/91/524513491.db2.gz ORBWSPLDRORWPI-PIGZYNQJSA-N -1 3 253.367 1.735 20 10 CDCDHM CS(=O)(=O)CCNCc1c([O-])cccc1Cl ZINC000083552270 525126282 /nfs/dbraw/zinc/12/62/82/525126282.db2.gz FYHVPMILEUCIDO-UHFFFAOYSA-N -1 3 263.746 1.180 20 10 CDCDHM CCn1cc(NC(=O)c2cc([O-])cs2)ccc1=O ZINC000731870607 575066666 /nfs/dbraw/zinc/06/66/66/575066666.db2.gz RSKBUCSJHQBKKZ-UHFFFAOYSA-N -1 3 264.306 1.888 20 10 CDCDHM CN(CC(=O)NCc1ccco1)C(=O)c1cc([O-])cs1 ZINC000732264165 575084630 /nfs/dbraw/zinc/08/46/30/575084630.db2.gz BUJVHKJNHXLUME-UHFFFAOYSA-N -1 3 294.332 1.435 20 10 CDCDHM CCCCNC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354181 575088094 /nfs/dbraw/zinc/08/80/94/575088094.db2.gz GFQFHSBZDCUIHI-QMMMGPOBSA-N -1 3 271.338 1.915 20 10 CDCDHM O=C(NC[C@@H]1COC2(CCCC2)O1)c1cc([O-])cs1 ZINC000774354278 575200670 /nfs/dbraw/zinc/20/06/70/575200670.db2.gz GIIXRMVOYAXSKM-SNVBAGLBSA-N -1 3 283.349 1.869 20 10 CDCDHM C[C@@H](NCc1nnnn1CC1CC1)c1cc(F)ccc1[O-] ZINC000769988185 575406346 /nfs/dbraw/zinc/40/63/46/575406346.db2.gz NRDRCYZCOSXUFX-SECBINFHSA-N -1 3 291.330 1.779 20 10 CDCDHM CN(Cc1cc(Br)ccc1[O-])[C@@H]1CCNC1=O ZINC000770383443 575443517 /nfs/dbraw/zinc/44/35/17/575443517.db2.gz VIZRKPZPEPBMRA-SNVBAGLBSA-N -1 3 299.168 1.475 20 10 CDCDHM COC(=O)CN(Cc1ccccc1[O-])C1CCOCC1 ZINC000770505278 575457604 /nfs/dbraw/zinc/45/76/04/575457604.db2.gz NHDIWGQJQOWVBZ-UHFFFAOYSA-N -1 3 279.336 1.546 20 10 CDCDHM CN(Cc1c([O-])ccc2ccncc21)[C@@H]1CCN(C)C1=O ZINC000738271912 576055581 /nfs/dbraw/zinc/05/55/81/576055581.db2.gz GWEWDYSNNPMEBQ-CQSZACIVSA-N -1 3 285.347 1.603 20 10 CDCDHM Cc1cc(NC(=O)c2cc([O-])cs2)cn(C)c1=O ZINC000768396698 576280209 /nfs/dbraw/zinc/28/02/09/576280209.db2.gz SKVDUFPFFWIYGT-UHFFFAOYSA-N -1 3 264.306 1.713 20 10 CDCDHM CC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768441869 576283196 /nfs/dbraw/zinc/28/31/96/576283196.db2.gz PTHWYVRUQWGSOU-BXUZGUMPSA-N -1 3 279.336 1.429 20 10 CDCDHM O=C1OC[C@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC000769484456 576358502 /nfs/dbraw/zinc/35/85/02/576358502.db2.gz WQSOBRKNIVSFHW-SECBINFHSA-N -1 3 282.727 1.682 20 10 CDCDHM CCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)[C@@]12CCCO2 ZINC000760455151 576485468 /nfs/dbraw/zinc/48/54/68/576485468.db2.gz RUVTUZKDTGQRFM-BZPMIXESSA-N -1 3 297.376 1.910 20 10 CDCDHM COc1ccc([O-])c([C@H]2NC3(CCCC3)C(=O)N2C)c1 ZINC000742442348 576603474 /nfs/dbraw/zinc/60/34/74/576603474.db2.gz GMNRCQAHIWJMNR-ZDUSSCGKSA-N -1 3 276.336 1.774 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1cnn(C)c1 ZINC000743503179 576643654 /nfs/dbraw/zinc/64/36/54/576643654.db2.gz PWLMBBOYZIENTR-SSDOTTSWSA-N -1 3 251.311 1.678 20 10 CDCDHM COc1cccc([O-])c1CN1CC[C@@H](C)[S@@](=O)CC1 ZINC000763494831 576739600 /nfs/dbraw/zinc/73/96/00/576739600.db2.gz ULDVKUKGRKSJIP-WYRIXSBYSA-N -1 3 283.393 1.744 20 10 CDCDHM Cn1cc(N2CCN(C(=O)c3cc([O-])cs3)CC2)cn1 ZINC000746409847 576775424 /nfs/dbraw/zinc/77/54/24/576775424.db2.gz PAUOYMGNEJQONX-UHFFFAOYSA-N -1 3 292.364 1.150 20 10 CDCDHM Cc1ccc(C(=O)N[C@@]2(C)CCO[C@@H]2C)c([O-])c1O ZINC000753069097 577143032 /nfs/dbraw/zinc/14/30/32/577143032.db2.gz XOOZZEAHHQGWDG-OTYXRUKQSA-N -1 3 265.309 1.704 20 10 CDCDHM CO[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H](C(=O)[O-])C1 ZINC000902031165 618529592 /nfs/dbraw/zinc/52/95/92/618529592.db2.gz HWZQPPAGTINHJM-NWDGAFQWSA-N -1 3 265.309 1.456 20 10 CDCDHM CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H](C(=O)[O-])C1 ZINC000902031165 618529603 /nfs/dbraw/zinc/52/96/03/618529603.db2.gz HWZQPPAGTINHJM-NWDGAFQWSA-N -1 3 265.309 1.456 20 10 CDCDHM CO[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000895967923 619926055 /nfs/dbraw/zinc/92/60/55/619926055.db2.gz FQUFWZPDGRTWIC-LBPRGKRZSA-N -1 3 257.717 1.850 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898192444 621387798 /nfs/dbraw/zinc/38/77/98/621387798.db2.gz JFPNALVNFDEGQA-ZYHUDNBSSA-N -1 3 259.708 1.950 20 10 CDCDHM Cc1cccc(CN2C[C@H](C)O[C@H](C(=O)[O-])C2)c1O ZINC001607850947 1164313140 /nfs/dbraw/zinc/31/31/40/1164313140.db2.gz UILLJLKZLCISBG-JQWIXIFHSA-N -1 3 265.309 1.375 20 10 CDCDHM C[C@H]([NH2+][C@@H]1C=CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952016 1173210044 /nfs/dbraw/zinc/21/00/44/1173210044.db2.gz MYMNYXYZPVEEHV-VHSXEESVSA-N -1 3 271.324 1.942 20 10 CDCDHM Cc1nnsc1CNC(=O)c1cccc(O)c1[O-] ZINC000384145079 742876876 /nfs/dbraw/zinc/87/68/76/742876876.db2.gz OHFQLGHAALRHOD-UHFFFAOYSA-N -1 3 265.294 1.188 20 10 CDCDHM O=S1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000132684411 742889455 /nfs/dbraw/zinc/88/94/55/742889455.db2.gz CTRAPNPPVSSOKR-UHFFFAOYSA-N -1 3 259.758 1.610 20 10 CDCDHM CCn1ncnc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000794843739 743110203 /nfs/dbraw/zinc/11/02/03/743110203.db2.gz XRBQHGGVRLKLQV-VIFPVBQESA-N -1 3 264.304 1.994 20 10 CDCDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000248732329 745349710 /nfs/dbraw/zinc/34/97/10/745349710.db2.gz JTOFEPVLURPWLL-ILWJIGKKSA-N -1 3 265.309 1.784 20 10 CDCDHM COCCOC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000779432704 745995305 /nfs/dbraw/zinc/99/53/05/745995305.db2.gz ZZRODQPMDVNBMZ-UHFFFAOYSA-N -1 3 271.744 1.893 20 10 CDCDHM Cc1ncc(S(=O)(=O)[N-]CCc2ccc(N)cc2)s1 ZINC000235971088 746020320 /nfs/dbraw/zinc/02/03/20/746020320.db2.gz YXANZWKOSXHNDN-UHFFFAOYSA-N -1 3 297.405 1.555 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CC[C@](F)(CO)C1 ZINC000802660255 746394349 /nfs/dbraw/zinc/39/43/49/746394349.db2.gz GJBIQDIPXJWJMU-GFCCVEGCSA-N -1 3 259.708 1.952 20 10 CDCDHM CCN(CC(=O)NC)Cc1c([O-])cccc1Cl ZINC000132619091 746511121 /nfs/dbraw/zinc/51/11/21/746511121.db2.gz WHKMWXUQMSPBJR-UHFFFAOYSA-N -1 3 256.733 1.614 20 10 CDCDHM O=C1CN(Cc2ccc(Br)cc2[O-])CCCN1 ZINC000824627861 746521667 /nfs/dbraw/zinc/52/16/67/746521667.db2.gz ZGRHPLDTCWAANS-UHFFFAOYSA-N -1 3 299.168 1.477 20 10 CDCDHM COC(=O)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790569337 747020276 /nfs/dbraw/zinc/02/02/76/747020276.db2.gz VCJGQWAVCFOFGR-UHFFFAOYSA-N -1 3 293.319 1.513 20 10 CDCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1cnn(C)c1 ZINC000885424026 747608322 /nfs/dbraw/zinc/60/83/22/747608322.db2.gz JCWOZZRPQJQGRV-ZDUSSCGKSA-N -1 3 289.335 1.958 20 10 CDCDHM O=C(N[C@@H]1CC12CCOCC2)c1cccc(O)c1[O-] ZINC000386979734 748081705 /nfs/dbraw/zinc/08/17/05/748081705.db2.gz IDMUIXGAJOLIOS-LLVKDONJSA-N -1 3 263.293 1.397 20 10 CDCDHM CN(C)c1ccc(CN[C@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819164805 749298756 /nfs/dbraw/zinc/29/87/56/749298756.db2.gz VFLMTBQJOKNRAI-AWEZNQCLSA-N -1 3 288.351 1.402 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140582872 896961922 /nfs/dbraw/zinc/96/19/22/896961922.db2.gz OINQBCXJHBYJPP-CYBMUJFWSA-N -1 3 257.280 1.875 20 10 CDCDHM CC(=O)N[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520599 908847997 /nfs/dbraw/zinc/84/79/97/908847997.db2.gz MAMYCVWIQZMNNY-NSHDSACASA-N -1 3 284.306 1.771 20 10 CDCDHM CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142527504 908869186 /nfs/dbraw/zinc/86/91/86/908869186.db2.gz XFTMATOSSOQUGG-MSRIBSCDSA-N -1 3 297.301 1.911 20 10 CDCDHM Cc1nc(CCN(C)Cc2c([O-])cccc2F)no1 ZINC001137833076 936417890 /nfs/dbraw/zinc/41/78/90/936417890.db2.gz RORQUFJELLKRKD-UHFFFAOYSA-N -1 3 265.288 1.897 20 10 CDCDHM CC(=O)N[C@H]1CCCN(Cc2c([O-])cccc2F)C1 ZINC001137837590 936419263 /nfs/dbraw/zinc/41/92/63/936419263.db2.gz MUVFFWMHHJPZTJ-NSHDSACASA-N -1 3 266.316 1.632 20 10 CDCDHM CN1CCC2(CN(Cc3c([O-])cccc3F)C2)C1=O ZINC001137841630 936420192 /nfs/dbraw/zinc/42/01/92/936420192.db2.gz NEOWSLLKUJJEGD-UHFFFAOYSA-N -1 3 264.300 1.195 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2cccc(F)c2[O-])CCCO1 ZINC001138129572 936476055 /nfs/dbraw/zinc/47/60/55/936476055.db2.gz KTCFDVTVQFEVEU-LBPRGKRZSA-N -1 3 283.299 1.295 20 10 CDCDHM COC[C@H]1COCCN1Cc1c([O-])cccc1Cl ZINC001140341746 936703503 /nfs/dbraw/zinc/70/35/03/936703503.db2.gz FXVLEROGCIVGQY-JTQLQIEISA-N -1 3 271.744 1.893 20 10 CDCDHM Cc1cccn2c(CNC(=O)c3cccc(O)c3[O-])nnc12 ZINC001148212931 932669093 /nfs/dbraw/zinc/66/90/93/932669093.db2.gz PKIBMDZPLNKQRM-UHFFFAOYSA-N -1 3 298.302 1.379 20 10 CDCDHM Cc1ncc(NC(=O)c2cc(O)c([O-])c(O)c2)nc1C ZINC001148581762 932750368 /nfs/dbraw/zinc/75/03/68/932750368.db2.gz VJTZNPFGTCQKOH-UHFFFAOYSA-N -1 3 275.264 1.463 20 10 CDCDHM COC[C@H]1CCCCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582541 932751775 /nfs/dbraw/zinc/75/17/75/932751775.db2.gz KFXZSSLAINIQIO-SNVBAGLBSA-N -1 3 281.308 1.445 20 10 CDCDHM CN(Cc1cncs1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588578 932752916 /nfs/dbraw/zinc/75/29/16/932752916.db2.gz VNBRIERMHSHWEZ-UHFFFAOYSA-N -1 3 280.305 1.532 20 10 CDCDHM Cc1ncsc1CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590337 932755075 /nfs/dbraw/zinc/75/50/75/932755075.db2.gz HVFWFRHWJODECK-UHFFFAOYSA-N -1 3 294.332 1.541 20 10 CDCDHM Cn1cc(CNC(=O)NCc2c([O-])cccc2F)cn1 ZINC001221445671 941537129 /nfs/dbraw/zinc/53/71/29/941537129.db2.gz NHSKGPSYVVCIMN-UHFFFAOYSA-N -1 3 278.287 1.264 20 10 CDCDHM NC(=O)[C@H]1CCC2(CN(Cc3cc(Cl)ccc3[O-])C2)O1 ZINC001277458463 942630903 /nfs/dbraw/zinc/63/09/03/942630903.db2.gz RQOQOJLSKFZKSW-GFCCVEGCSA-N -1 3 296.754 1.264 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCCOCC2)c([O-])c1 ZINC001231447327 942894825 /nfs/dbraw/zinc/89/48/25/942894825.db2.gz RVKYPTOJCPWQIB-UHFFFAOYSA-N -1 3 251.282 1.313 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCCOCC2)c([O-])c1 ZINC001231447327 942894827 /nfs/dbraw/zinc/89/48/27/942894827.db2.gz RVKYPTOJCPWQIB-UHFFFAOYSA-N -1 3 251.282 1.313 20 10 CDCDHM C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@@H]1O ZINC001231447004 942895166 /nfs/dbraw/zinc/89/51/66/942895166.db2.gz NIPAZYYWHUHGAB-SKDRFNHKSA-N -1 3 265.309 1.293 20 10 CDCDHM C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@@H]1O ZINC001231447004 942895168 /nfs/dbraw/zinc/89/51/68/942895168.db2.gz NIPAZYYWHUHGAB-SKDRFNHKSA-N -1 3 265.309 1.293 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@](O)(CF)CC2)c1 ZINC001231560821 942926832 /nfs/dbraw/zinc/92/68/32/942926832.db2.gz NTCCYQWICLKEAJ-OAHLLOKOSA-N -1 3 297.326 1.777 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@](O)(CF)CC2)c1 ZINC001231560821 942926834 /nfs/dbraw/zinc/92/68/34/942926834.db2.gz NTCCYQWICLKEAJ-OAHLLOKOSA-N -1 3 297.326 1.777 20 10 CDCDHM COc1cc([O-])c(CN2CC[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001232267177 943197421 /nfs/dbraw/zinc/19/74/21/943197421.db2.gz YZRBXLRJXAGQRO-WDEREUQCSA-N -1 3 289.734 1.959 20 10 CDCDHM COc1cc([O-])c(CN2CCOC[C@H](O)C2)c(Cl)c1 ZINC001236799625 944574534 /nfs/dbraw/zinc/57/45/34/944574534.db2.gz TUMYBNJBEZLWFR-SECBINFHSA-N -1 3 287.743 1.247 20 10 CDCDHM O=C(Cc1nnc(C2CC2)[nH]1)NCc1c([O-])cccc1F ZINC001303875787 956126375 /nfs/dbraw/zinc/12/63/75/956126375.db2.gz PHUPOUZMHYOWRT-UHFFFAOYSA-N -1 3 290.298 1.386 20 10 CDCDHM C[C@@H](NCc1nnc2n1CCOC2)c1ccc(F)cc1[O-] ZINC001320702291 959338826 /nfs/dbraw/zinc/33/88/26/959338826.db2.gz QNSMYNNDIQXQDM-SECBINFHSA-N -1 3 292.314 1.504 20 10 CDCDHM CO[C@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2[O-])C1 ZINC000703748428 977186207 /nfs/dbraw/zinc/18/62/07/977186207.db2.gz IDRMIMSSPMQJJL-CYBMUJFWSA-N -1 3 251.282 1.068 20 10 CDCDHM CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000703748428 977186213 /nfs/dbraw/zinc/18/62/13/977186213.db2.gz IDRMIMSSPMQJJL-CYBMUJFWSA-N -1 3 251.282 1.068 20 10 CDCDHM CC(C)CN1CC(=O)N[C@@H]1c1cc(F)ccc1[O-] ZINC000077474843 342328986 /nfs/dbraw/zinc/32/89/86/342328986.db2.gz DJVWDLASWOTCSQ-ZDUSSCGKSA-N -1 3 252.289 1.618 20 10 CDCDHM Cc1nc2n(n1)CCN(Cc1cc3c(cc1[O-])OCO3)C2 ZINC000271162114 364952805 /nfs/dbraw/zinc/95/28/05/364952805.db2.gz DPFBKSFPOQNZRO-UHFFFAOYSA-N -1 3 288.307 1.037 20 10 CDCDHM COC(=O)C(C)(C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000271284240 364980164 /nfs/dbraw/zinc/98/01/64/364980164.db2.gz OOXOYZOSSJKULJ-UHFFFAOYSA-N -1 3 281.308 1.335 20 10 CDCDHM CCOC[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000529664831 368087284 /nfs/dbraw/zinc/08/72/84/368087284.db2.gz DYNQSYOXTJQTSO-ZDUSSCGKSA-N -1 3 269.316 1.769 20 10 CDCDHM Cc1ccc(C(=O)NCCCOCC2CC2)c([O-])c1O ZINC000177664439 391173979 /nfs/dbraw/zinc/17/39/79/391173979.db2.gz UTTMXVUKBKDURI-UHFFFAOYSA-N -1 3 279.336 1.953 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c([O-])c1O ZINC000182393132 391233904 /nfs/dbraw/zinc/23/39/04/391233904.db2.gz HQOCKZNGUXTUEN-NSHDSACASA-N -1 3 280.324 1.036 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@@H]2C2CC2)c([O-])c1O ZINC000182945680 391246884 /nfs/dbraw/zinc/24/68/84/391246884.db2.gz XBTBIEZTGDONFE-GFCCVEGCSA-N -1 3 277.320 1.657 20 10 CDCDHM CCS(=O)(=O)C1CCN(Cc2ccccc2[O-])CC1 ZINC000195163372 391378194 /nfs/dbraw/zinc/37/81/94/391378194.db2.gz WPPGFRJZDLWGAY-UHFFFAOYSA-N -1 3 283.393 1.791 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H](O)C(C)(C)C2)c([O-])c1O ZINC000275927169 292063944 /nfs/dbraw/zinc/06/39/44/292063944.db2.gz VQNBYXHDRNXOIW-NSHDSACASA-N -1 3 279.336 1.639 20 10 CDCDHM CCCCOCCNC(=O)c1cccc(O)c1[O-] ZINC000126363354 264217805 /nfs/dbraw/zinc/21/78/05/264217805.db2.gz QGIYIONWFODLBM-UHFFFAOYSA-N -1 3 253.298 1.644 20 10 CDCDHM CN(C)C[C@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000272324507 276806749 /nfs/dbraw/zinc/80/67/49/276806749.db2.gz UYLRVNQUHVFSLE-LBPRGKRZSA-N -1 3 268.332 1.294 20 10 CDCDHM CCCOc1ccc(CN[C@H](C(=O)OC)[C@@H](C)O)c([O-])c1 ZINC000276510763 520370929 /nfs/dbraw/zinc/37/09/29/520370929.db2.gz TWHKIVLEMFHNMU-YGRLFVJLSA-N -1 3 297.351 1.193 20 10 CDCDHM CCC[C@]1(CO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000278081534 521316517 /nfs/dbraw/zinc/31/65/17/521316517.db2.gz INGXGCPYIGGKCI-OAHLLOKOSA-N -1 3 279.336 1.865 20 10 CDCDHM COC(=O)CCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000267643850 523028802 /nfs/dbraw/zinc/02/88/02/523028802.db2.gz ZWRCCXQXQZTOEM-UHFFFAOYSA-N -1 3 267.281 1.089 20 10 CDCDHM C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000263764361 524265462 /nfs/dbraw/zinc/26/54/62/524265462.db2.gz ZKMVKKIBRGHHNO-VIFPVBQESA-N -1 3 298.364 1.246 20 10 CDCDHM C[C@H](NCC(=O)NCC(F)F)c1ccc(F)cc1[O-] ZINC000281026038 525305631 /nfs/dbraw/zinc/30/56/31/525305631.db2.gz ZVQHKVPRDQGCFX-ZETCQYMHSA-N -1 3 276.258 1.563 20 10 CDCDHM [O-]c1cccc(Cl)c1CNCC(F)(F)CO ZINC000231777040 527520632 /nfs/dbraw/zinc/52/06/32/527520632.db2.gz SOJDTKHDDLUSAI-UHFFFAOYSA-N -1 3 251.660 1.763 20 10 CDCDHM Cn1ncc2c1CCC[C@H]2NC(=O)c1cc([O-])cs1 ZINC000731868796 575068770 /nfs/dbraw/zinc/06/87/70/575068770.db2.gz WEVUGSXQDBDFSU-SNVBAGLBSA-N -1 3 277.349 1.995 20 10 CDCDHM CCCNC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000731912283 575070398 /nfs/dbraw/zinc/07/03/98/575070398.db2.gz TYAWVTAARSRIPR-ZETCQYMHSA-N -1 3 257.311 1.525 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(CC(F)(F)F)CC1 ZINC000732263673 575084779 /nfs/dbraw/zinc/08/47/79/575084779.db2.gz UVIIFMDOUFHHCG-UHFFFAOYSA-N -1 3 294.298 1.774 20 10 CDCDHM CCOc1ccc(CN2CCO[C@@]3(CCOC3)C2)c([O-])c1 ZINC000769555632 575359315 /nfs/dbraw/zinc/35/93/15/575359315.db2.gz HVURTILTFZRBRE-INIZCTEOSA-N -1 3 293.363 1.782 20 10 CDCDHM CNC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736879766 575768713 /nfs/dbraw/zinc/76/87/13/575768713.db2.gz ZRQMLNSABZWTBD-UHFFFAOYSA-N -1 3 296.334 1.634 20 10 CDCDHM CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736879766 575768715 /nfs/dbraw/zinc/76/87/15/575768715.db2.gz ZRQMLNSABZWTBD-UHFFFAOYSA-N -1 3 296.334 1.634 20 10 CDCDHM COCC[C@]1(NC(=O)c2ccc(C)c(O)c2[O-])CCOC1 ZINC000773329919 575802102 /nfs/dbraw/zinc/80/21/02/575802102.db2.gz BIXZYUKPFGKCFS-HNNXBMFYSA-N -1 3 295.335 1.332 20 10 CDCDHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N1CCCC1 ZINC000766048804 576074416 /nfs/dbraw/zinc/07/44/16/576074416.db2.gz WHDXOTQNQMNVHH-UHFFFAOYSA-N -1 3 284.337 1.347 20 10 CDCDHM CC1(C)CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768440803 576282446 /nfs/dbraw/zinc/28/24/46/576282446.db2.gz YXLFUVKEKZOEQP-CYBMUJFWSA-N -1 3 279.336 1.429 20 10 CDCDHM CCOC(=O)CN(CC)Cc1c([O-])cccc1OC ZINC000769005725 576321781 /nfs/dbraw/zinc/32/17/81/576321781.db2.gz NJICLCTUIQKHRP-UHFFFAOYSA-N -1 3 267.325 1.786 20 10 CDCDHM CN1C(=O)C2(CCCC2)N[C@@H]1c1cc2c(cc1[O-])OCO2 ZINC000742439117 576603279 /nfs/dbraw/zinc/60/32/79/576603279.db2.gz IIJPPZZVFXLIDU-ZDUSSCGKSA-N -1 3 290.319 1.494 20 10 CDCDHM C[C@H](CNC(=O)c1cc([O-])cs1)CC1(C)OCCO1 ZINC000743487954 576642346 /nfs/dbraw/zinc/64/23/46/576642346.db2.gz LKABASPMTWCEIX-VIFPVBQESA-N -1 3 285.365 1.973 20 10 CDCDHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccccc2O)c[nH]1 ZINC000751151010 577027946 /nfs/dbraw/zinc/02/79/46/577027946.db2.gz NNYBECVWDYQBJM-UHFFFAOYSA-N -1 3 295.364 1.717 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H]1C(F)(F)F ZINC000912084973 629762760 /nfs/dbraw/zinc/76/27/60/629762760.db2.gz MEAKVWCNJZCPRJ-JTQLQIEISA-N -1 3 277.198 1.459 20 10 CDCDHM O=C([O-])c1cnc(CC[NH2+]Cc2ccccc2[O-])s1 ZINC001602517562 1175266479 /nfs/dbraw/zinc/26/64/79/1175266479.db2.gz OWWXCLKQASANCN-UHFFFAOYSA-N -1 3 278.333 1.879 20 10 CDCDHM CCN(C)C(=O)CNCc1cc(Cl)cc(F)c1[O-] ZINC000776013244 751838911 /nfs/dbraw/zinc/83/89/11/751838911.db2.gz MERQLOPLTOAVMO-UHFFFAOYSA-N -1 3 274.723 1.753 20 10 CDCDHM C[C@H](C[C@H]1CCOC1)NC(=O)c1cccc(O)c1[O-] ZINC000790882931 751886451 /nfs/dbraw/zinc/88/64/51/751886451.db2.gz SWWLMBUZFAPOFT-NXEZZACHSA-N -1 3 265.309 1.643 20 10 CDCDHM CN(C)C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000876516826 751894345 /nfs/dbraw/zinc/89/43/45/751894345.db2.gz WBHMBYQBTCHGRY-NSHDSACASA-N -1 3 286.322 1.433 20 10 CDCDHM Cc1ncc(CCNC(=O)c2cccc(O)c2[O-])s1 ZINC000790896426 752123778 /nfs/dbraw/zinc/12/37/78/752123778.db2.gz GYMBYADNFTXCTP-UHFFFAOYSA-N -1 3 278.333 1.835 20 10 CDCDHM O=C(N[C@@H](CCO)C1CCOCC1)c1cccc(O)c1[O-] ZINC000790932260 749933793 /nfs/dbraw/zinc/93/37/93/749933793.db2.gz XFKIXHMHBMZPRN-LBPRGKRZSA-N -1 3 295.335 1.005 20 10 CDCDHM CN1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](CO)C1 ZINC000877644928 752887687 /nfs/dbraw/zinc/88/76/87/752887687.db2.gz VVUYRSJYCQSKKI-LLVKDONJSA-N -1 3 288.750 1.293 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@]1(C)CO ZINC000703710701 751163776 /nfs/dbraw/zinc/16/37/76/751163776.db2.gz SMQSNIXAAJIJEU-OTYXRUKQSA-N -1 3 265.309 1.188 20 10 CDCDHM O=C(NC[C@H]1Cc2ccccc2O1)c1cccc(O)c1[O-] ZINC000126378251 752992296 /nfs/dbraw/zinc/99/22/96/752992296.db2.gz GRNREWJKYVTGLF-LLVKDONJSA-N -1 3 285.299 1.831 20 10 CDCDHM CCN1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CC1=O ZINC000824886642 753012443 /nfs/dbraw/zinc/01/24/43/753012443.db2.gz GQPIOAGYGMUIPK-QMMMGPOBSA-N -1 3 286.734 1.895 20 10 CDCDHM Cc1nnc(N(C)C(=O)c2cccc(O)c2[O-])s1 ZINC000794019657 753229665 /nfs/dbraw/zinc/22/96/65/753229665.db2.gz VVRQOGISJJEHLV-UHFFFAOYSA-N -1 3 265.294 1.534 20 10 CDCDHM COC[C@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC000825666476 753328407 /nfs/dbraw/zinc/32/84/07/753328407.db2.gz KVTHCEMAJSRUCM-NSHDSACASA-N -1 3 287.743 1.632 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H](CO)CC(C)(C)C ZINC000836972003 753679463 /nfs/dbraw/zinc/67/94/63/753679463.db2.gz MXVAEAQJCHNGPR-JTQLQIEISA-N -1 3 281.352 1.967 20 10 CDCDHM [O-]c1cc(Br)ccc1CNCC(F)(F)CO ZINC000691469050 928960721 /nfs/dbraw/zinc/96/07/21/928960721.db2.gz WOMKTARIIONBOB-UHFFFAOYSA-N -1 3 296.111 1.872 20 10 CDCDHM Cn1nnc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC001148219000 932670703 /nfs/dbraw/zinc/67/07/03/932670703.db2.gz QMEYWDXQRFVKEH-UHFFFAOYSA-N -1 3 284.275 1.632 20 10 CDCDHM CC[C@H](C)[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)N(C)C ZINC001148225516 932673944 /nfs/dbraw/zinc/67/39/44/932673944.db2.gz NCAGSKNVDWVHRO-CABZTGNLSA-N -1 3 294.351 1.331 20 10 CDCDHM Cc1cccc([C@H](O)CNC(=O)c2cccc(O)c2[O-])c1 ZINC000193138294 934665952 /nfs/dbraw/zinc/66/59/52/934665952.db2.gz VSCFBACPWYPPQJ-CQSZACIVSA-N -1 3 287.315 1.870 20 10 CDCDHM N[C@@H]1CN(Cc2cccc(F)c2[O-])CCC1(F)F ZINC001206668135 938704131 /nfs/dbraw/zinc/70/41/31/938704131.db2.gz PEOUOEJMEUWZNY-SNVBAGLBSA-N -1 3 260.259 1.700 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@@](O)(CF)CC2)c1 ZINC001231560820 942926709 /nfs/dbraw/zinc/92/67/09/942926709.db2.gz NTCCYQWICLKEAJ-HNNXBMFYSA-N -1 3 297.326 1.777 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1 ZINC001231560820 942926713 /nfs/dbraw/zinc/92/67/13/942926713.db2.gz NTCCYQWICLKEAJ-HNNXBMFYSA-N -1 3 297.326 1.777 20 10 CDCDHM C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561144 942927507 /nfs/dbraw/zinc/92/75/07/942927507.db2.gz OYNVRBRZXHWCEG-CABZTGNLSA-N -1 3 265.309 1.293 20 10 CDCDHM C[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231561144 942927510 /nfs/dbraw/zinc/92/75/10/942927510.db2.gz OYNVRBRZXHWCEG-CABZTGNLSA-N -1 3 265.309 1.293 20 10 CDCDHM CC1(C(N)=O)CC[NH+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231564977 942931222 /nfs/dbraw/zinc/93/12/22/942931222.db2.gz MKCMWOYKXYRRSV-UHFFFAOYSA-N -1 3 292.335 1.178 20 10 CDCDHM [O-]c1cc(O)c(CN2CCN(C3COC3)CC2)cc1Cl ZINC001232260405 943192058 /nfs/dbraw/zinc/19/20/58/943192058.db2.gz PQQCJYVSADQELG-UHFFFAOYSA-N -1 3 298.770 1.268 20 10 CDCDHM CC(=O)CN(C(=O)c1cccc(O)c1[O-])C(C)C ZINC001329954434 956200561 /nfs/dbraw/zinc/20/05/61/956200561.db2.gz YIARRXJWISSEQE-UHFFFAOYSA-N -1 3 251.282 1.537 20 10 CDCDHM O=C([O-])C[C@@]1([NH2+]Cc2ccccc2[O-])CCCOC1 ZINC001334769085 959343461 /nfs/dbraw/zinc/34/34/61/959343461.db2.gz UDNKOGJLBRCPPO-AWEZNQCLSA-N -1 3 265.309 1.506 20 10 CDCDHM CO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001599125054 997825733 /nfs/dbraw/zinc/82/57/33/997825733.db2.gz YNBZPZATKURYBQ-STQMWFEESA-N -1 3 279.336 1.765 20 10 CDCDHM CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001599125054 997825746 /nfs/dbraw/zinc/82/57/46/997825746.db2.gz YNBZPZATKURYBQ-STQMWFEESA-N -1 3 279.336 1.765 20 10 CDCDHM COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC000093103148 360290325 /nfs/dbraw/zinc/29/03/25/360290325.db2.gz UOECOFYSRYGQQA-MNOVXSKESA-N -1 3 285.727 1.154 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(CC(N)=O)C(C)(C)C)c1[O-] ZINC000131297467 361069400 /nfs/dbraw/zinc/06/94/00/361069400.db2.gz NJBATCCWBVUKIG-UHFFFAOYSA-N -1 3 296.342 1.820 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](CO)C1 ZINC000271179297 364962904 /nfs/dbraw/zinc/96/29/04/364962904.db2.gz LQCJQJCLWIYZOZ-VIFPVBQESA-N -1 3 257.717 1.239 20 10 CDCDHM CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000273585721 365510589 /nfs/dbraw/zinc/51/05/89/365510589.db2.gz ZSIXPPZJODRUQV-ZJUUUORDSA-N -1 3 295.335 1.724 20 10 CDCDHM CCOC1CC(N(C)C(=O)c2cccc(O)c2[O-])C1 ZINC000288447081 369450950 /nfs/dbraw/zinc/45/09/50/369450950.db2.gz VWWSSKQPRLTLAC-UHFFFAOYSA-N -1 3 265.309 1.737 20 10 CDCDHM CCn1nc(C)c(CN(C)Cc2ccccc2[O-])n1 ZINC000294628211 371076464 /nfs/dbraw/zinc/07/64/64/371076464.db2.gz AFBMBXGCYPGDED-UHFFFAOYSA-N -1 3 260.341 1.944 20 10 CDCDHM C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000296086463 378716854 /nfs/dbraw/zinc/71/68/54/378716854.db2.gz XTEZOOGQUGRLKM-WQGWLQIFSA-N -1 3 259.252 1.081 20 10 CDCDHM CN(C)C(=O)CN(C)Cc1c([O-])cccc1Cl ZINC000132125092 390931081 /nfs/dbraw/zinc/93/10/81/390931081.db2.gz HPVHGAFPVBBOAC-UHFFFAOYSA-N -1 3 256.733 1.566 20 10 CDCDHM CCS(=O)(=O)NCCNCc1c([O-])cccc1Cl ZINC000113329288 391158321 /nfs/dbraw/zinc/15/83/21/391158321.db2.gz CFXOIPMNDFJGIH-UHFFFAOYSA-N -1 3 292.788 1.075 20 10 CDCDHM Cc1ccc(C(=O)NN2CCCCC2)c([O-])c1O ZINC000182913045 391246953 /nfs/dbraw/zinc/24/69/53/391246953.db2.gz PGSTWSUWYYIKEN-UHFFFAOYSA-N -1 3 250.298 1.537 20 10 CDCDHM NC(=O)[C@H]1c2ccccc2CCN1Cc1ccccc1[O-] ZINC000361053749 391678873 /nfs/dbraw/zinc/67/88/73/391678873.db2.gz SPBYDMUOZSOQSJ-MRXNPFEDSA-N -1 3 282.343 1.977 20 10 CDCDHM COC[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126444674 264219934 /nfs/dbraw/zinc/21/99/34/264219934.db2.gz STXQPIZXTHYJBJ-VIFPVBQESA-N -1 3 251.282 1.206 20 10 CDCDHM CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cccc(O)c4[O-])[C@H]1[C@H]3C2 ZINC000376155852 327714011 /nfs/dbraw/zinc/71/40/11/327714011.db2.gz GBWQUELAQCMSQE-CSCFQEHMSA-N -1 3 289.331 1.593 20 10 CDCDHM CC(C)(C)[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000278799643 327196062 /nfs/dbraw/zinc/19/60/62/327196062.db2.gz ONMBMNOANRFOLV-JTQLQIEISA-N -1 3 253.298 1.235 20 10 CDCDHM [O-]c1ccccc1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000377698880 329025633 /nfs/dbraw/zinc/02/56/33/329025633.db2.gz MXCOFCSOJJRKHZ-DZGCQCFKSA-N -1 3 263.337 1.772 20 10 CDCDHM CCN(C[C@H](O)C(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000280531084 521262256 /nfs/dbraw/zinc/26/22/56/521262256.db2.gz RQUXKFFUZTXOEK-VIFPVBQESA-N -1 3 293.241 1.483 20 10 CDCDHM CCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278281709 521688609 /nfs/dbraw/zinc/68/86/09/521688609.db2.gz TUZWVZWWXOIMSK-UHFFFAOYSA-N -1 3 295.339 1.447 20 10 CDCDHM COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000276626587 523961073 /nfs/dbraw/zinc/96/10/73/523961073.db2.gz PAZANSQDTRJASR-ZJUUUORDSA-N -1 3 293.319 1.369 20 10 CDCDHM COCCOC[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000274969016 524026469 /nfs/dbraw/zinc/02/64/69/524026469.db2.gz NBPUKBGVSMHCLP-NSHDSACASA-N -1 3 295.335 1.223 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](CO)CC2CCC2)c([O-])c1O ZINC000280213356 526199081 /nfs/dbraw/zinc/19/90/81/526199081.db2.gz KVUIBCAOQWCTJL-LLVKDONJSA-N -1 3 279.336 1.687 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOCC(F)(F)C1 ZINC000290371173 526771586 /nfs/dbraw/zinc/77/15/86/526771586.db2.gz BCGLBQGPFOBVCY-UHFFFAOYSA-N -1 3 273.235 1.206 20 10 CDCDHM COc1cccc(C[NH2+]C(C)(C)CC(=O)[O-])c1[O-] ZINC000738104667 574641958 /nfs/dbraw/zinc/64/19/58/574641958.db2.gz MXQHIENFHSHHNX-UHFFFAOYSA-N -1 3 253.298 1.744 20 10 CDCDHM COc1cccc([C@@H](O)CNC(=O)c2cc([O-])cs2)c1 ZINC000732297632 575086086 /nfs/dbraw/zinc/08/60/86/575086086.db2.gz QQNGGBIPJDUBIK-LBPRGKRZSA-N -1 3 293.344 1.926 20 10 CDCDHM CCOc1ccc(CN2CCS(=O)(=O)C[C@@H]2C)c([O-])c1 ZINC000769447019 575366802 /nfs/dbraw/zinc/36/68/02/575366802.db2.gz FPTJJSLXQDDSHA-NSHDSACASA-N -1 3 299.392 1.410 20 10 CDCDHM CCOc1ccc(CN2CCN(C(=O)OC)CC2)c([O-])c1 ZINC000768931042 576317577 /nfs/dbraw/zinc/31/75/77/576317577.db2.gz BIOXFVFOMKRNRK-UHFFFAOYSA-N -1 3 294.351 1.675 20 10 CDCDHM CCOc1ccc(CN2CCO[C@H](C(=O)OC)C2)c([O-])c1 ZINC000769333965 576347083 /nfs/dbraw/zinc/34/70/83/576347083.db2.gz WGZPPEBNNXBVLV-AWEZNQCLSA-N -1 3 295.335 1.165 20 10 CDCDHM COCCOC[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743750094 576652890 /nfs/dbraw/zinc/65/28/90/576652890.db2.gz GHTLQKUBQXVPDP-SNVBAGLBSA-N -1 3 285.365 1.579 20 10 CDCDHM CN(C)c1ccc(CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000825878677 607838651 /nfs/dbraw/zinc/83/86/51/607838651.db2.gz APGAYVHCZZTEKJ-UHFFFAOYSA-N -1 3 295.350 1.940 20 10 CDCDHM CN(C)c1ccc(CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000825878677 607838652 /nfs/dbraw/zinc/83/86/52/607838652.db2.gz APGAYVHCZZTEKJ-UHFFFAOYSA-N -1 3 295.350 1.940 20 10 CDCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@]1(CO)CCOC1 ZINC000895385450 619626577 /nfs/dbraw/zinc/62/65/77/619626577.db2.gz CFBXSTOTTRZDIU-ZDUSSCGKSA-N -1 3 273.279 1.254 20 10 CDCDHM CCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC001605690709 1163642459 /nfs/dbraw/zinc/64/24/59/1163642459.db2.gz NUCNPEBYOKONPZ-SNVBAGLBSA-N -1 3 267.325 1.943 20 10 CDCDHM CCOc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC001605690709 1163642462 /nfs/dbraw/zinc/64/24/62/1163642462.db2.gz NUCNPEBYOKONPZ-SNVBAGLBSA-N -1 3 267.325 1.943 20 10 CDCDHM Cc1nccn1CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607989742 1164364834 /nfs/dbraw/zinc/36/48/34/1164364834.db2.gz RNPUULSJRHUQGC-JTQLQIEISA-N -1 3 289.335 1.946 20 10 CDCDHM CN(C)c1cc(F)c(CNC2(C(=O)[O-])CC2)cc1F ZINC000864503924 1164552106 /nfs/dbraw/zinc/55/21/06/1164552106.db2.gz KKPCBTLQXOTAGV-UHFFFAOYSA-N -1 3 270.279 1.738 20 10 CDCDHM Cc1cc(-c2nnn[n-]2)cc(NCc2cc(O)ccc2O)n1 ZINC001591859835 1173726403 /nfs/dbraw/zinc/72/64/03/1173726403.db2.gz ODNPDIOVSCCOTP-UHFFFAOYSA-N -1 3 298.306 1.593 20 10 CDCDHM Cc1cc(-c2nn[n-]n2)cc(NCc2cc(O)ccc2O)n1 ZINC001591859835 1173726407 /nfs/dbraw/zinc/72/64/07/1173726407.db2.gz ODNPDIOVSCCOTP-UHFFFAOYSA-N -1 3 298.306 1.593 20 10 CDCDHM COC[C@]1(C(=O)[O-])CCCN1Cc1cc(OC)ccc1O ZINC001606833860 1164008468 /nfs/dbraw/zinc/00/84/68/1164008468.db2.gz WGMDMCYRFJDWTE-HNNXBMFYSA-N -1 3 295.335 1.466 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000826958463 755387092 /nfs/dbraw/zinc/38/70/92/755387092.db2.gz QIFHPPHXYDPTFG-LLVKDONJSA-N -1 3 261.243 1.733 20 10 CDCDHM CN(Cc1cc(Cl)cc(F)c1[O-])[C@]1(CO)CCOC1 ZINC000862426785 755423909 /nfs/dbraw/zinc/42/39/09/755423909.db2.gz OHQCHGUXPCFFRY-ZDUSSCGKSA-N -1 3 289.734 1.768 20 10 CDCDHM Cc1nc(CN(C)Cc2cc(F)ccc2[O-])no1 ZINC000827891865 754047910 /nfs/dbraw/zinc/04/79/10/754047910.db2.gz PDXALYWGXGMHRP-UHFFFAOYSA-N -1 3 251.261 1.855 20 10 CDCDHM C[C@@H](N[C@H](CO)c1ccnn1C)c1c([O-])cccc1F ZINC000886639423 754323836 /nfs/dbraw/zinc/32/38/36/754323836.db2.gz CZCCARMDQKSTKG-MWLCHTKSSA-N -1 3 279.315 1.649 20 10 CDCDHM O=C(NC[C@@H]1CCSC1)c1cccc(O)c1[O-] ZINC000228578612 755021892 /nfs/dbraw/zinc/02/18/92/755021892.db2.gz FUZXWUSEHVJNST-QMMMGPOBSA-N -1 3 253.323 1.581 20 10 CDCDHM COCCN(CCOC)Cc1ccc(F)c(F)c1[O-] ZINC000703594212 756486003 /nfs/dbraw/zinc/48/60/03/756486003.db2.gz NUAPAVCFRCFITE-UHFFFAOYSA-N -1 3 275.295 1.765 20 10 CDCDHM Cc1nn(C)c2ncc(NC(=O)c3cccc(O)c3[O-])cc12 ZINC000776327438 756745298 /nfs/dbraw/zinc/74/52/98/756745298.db2.gz KZXHXFPVJQALER-UHFFFAOYSA-N -1 3 298.302 1.940 20 10 CDCDHM COc1cc(Cl)cc(C[NH2+]C[C@H](C)C(=O)[O-])c1[O-] ZINC000848639338 756845619 /nfs/dbraw/zinc/84/56/19/756845619.db2.gz HWVRKZGUSVVQQG-ZETCQYMHSA-N -1 3 273.716 1.865 20 10 CDCDHM Cc1ccc(C(=O)N2C[C@@H](O)Cc3ccccc32)c([O-])c1O ZINC000790159328 757576196 /nfs/dbraw/zinc/57/61/96/757576196.db2.gz YCNMGUXDSPFSDM-LBPRGKRZSA-N -1 3 299.326 1.970 20 10 CDCDHM NC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193008809 757878357 /nfs/dbraw/zinc/87/83/57/757878357.db2.gz FUMIFELKFBIJFC-JTQLQIEISA-N -1 3 292.335 1.216 20 10 CDCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])CC1(C)OCCO1 ZINC000715926671 758555194 /nfs/dbraw/zinc/55/51/94/758555194.db2.gz KTJWKGJUVLCGNN-SNVBAGLBSA-N -1 3 295.335 1.617 20 10 CDCDHM CC(=O)NC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000179712121 758723038 /nfs/dbraw/zinc/72/30/38/758723038.db2.gz SIRFZNJKHSIGGK-CYBMUJFWSA-N -1 3 298.770 1.383 20 10 CDCDHM COC(=O)CN(C)Cc1c([O-])cccc1Br ZINC000862225344 758836014 /nfs/dbraw/zinc/83/60/14/758836014.db2.gz RYFZJIZNJGKEAX-UHFFFAOYSA-N -1 3 288.141 1.760 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCC(F)(F)C1 ZINC000404729541 897412791 /nfs/dbraw/zinc/41/27/91/897412791.db2.gz HFUINCUYYRZTRL-UHFFFAOYSA-N -1 3 257.236 1.969 20 10 CDCDHM O=C1COC[C@H]2CN(Cc3ccc(Cl)cc3[O-])CCN12 ZINC001140465409 936712719 /nfs/dbraw/zinc/71/27/19/936712719.db2.gz MEHBLUJBJLRRGD-GFCCVEGCSA-N -1 3 296.754 1.089 20 10 CDCDHM O=C(NCc1cc(O)ccc1O)c1ccccc1[O-] ZINC001153879192 937479818 /nfs/dbraw/zinc/47/98/18/937479818.db2.gz IVIDUWULFJXRAG-UHFFFAOYSA-N -1 3 259.261 1.733 20 10 CDCDHM O=C(Nc1ccc2[nH]c(CO)nc2c1)c1cccc(O)c1[O-] ZINC001148218520 932670716 /nfs/dbraw/zinc/67/07/16/932670716.db2.gz CXMQAPQYALDSJL-UHFFFAOYSA-N -1 3 299.286 1.719 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(=O)C(F)(F)C1 ZINC001148219049 932670925 /nfs/dbraw/zinc/67/09/25/932670925.db2.gz SZFXNVXASABZSS-UHFFFAOYSA-N -1 3 271.219 1.148 20 10 CDCDHM COC1(C)CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148582090 932750761 /nfs/dbraw/zinc/75/07/61/932750761.db2.gz WKZVWBPUGJWSBV-UHFFFAOYSA-N -1 3 281.308 1.445 20 10 CDCDHM C[C@H]1C[C@@H](CF)N(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148582154 932750831 /nfs/dbraw/zinc/75/08/31/932750831.db2.gz FCXAETUCIZCNSD-CBAPKCEASA-N -1 3 269.272 1.624 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001148582890 932751191 /nfs/dbraw/zinc/75/11/91/932751191.db2.gz PMISWCBFZRQJPK-SFYZADRCSA-N -1 3 285.246 1.531 20 10 CDCDHM Nc1cccnc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581717 932751818 /nfs/dbraw/zinc/75/18/18/932751818.db2.gz SIWSVCIXQRSYKP-UHFFFAOYSA-N -1 3 261.237 1.033 20 10 CDCDHM O=C(Nc1ccc(-n2cncn2)nc1)c1cccc(O)c1[O-] ZINC000192975243 934654473 /nfs/dbraw/zinc/65/44/73/934654473.db2.gz RARWWQGSVNFNOK-UHFFFAOYSA-N -1 3 297.274 1.326 20 10 CDCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CC(=O)N1C1CC1 ZINC001203651588 939699878 /nfs/dbraw/zinc/69/98/78/939699878.db2.gz RMXPPXUFTLOISB-UHFFFAOYSA-N -1 3 294.738 1.379 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@](F)(CO)CC2)c([O-])c1 ZINC001231447885 942894407 /nfs/dbraw/zinc/89/44/07/942894407.db2.gz XTDAOXRKOHOVCR-HNNXBMFYSA-N -1 3 297.326 1.777 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c([O-])c1 ZINC001231447885 942894412 /nfs/dbraw/zinc/89/44/12/942894412.db2.gz XTDAOXRKOHOVCR-HNNXBMFYSA-N -1 3 297.326 1.777 20 10 CDCDHM O=C([O-])c1ccc(CN2CC(N3CCCCC3)C2)c(O)c1 ZINC001231453024 942895975 /nfs/dbraw/zinc/89/59/75/942895975.db2.gz DJLGXOPIKXLGQY-UHFFFAOYSA-N -1 3 290.363 1.761 20 10 CDCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCCOC1 ZINC001231453981 942897656 /nfs/dbraw/zinc/89/76/56/942897656.db2.gz SGNLZWBOLRMUFC-LBPRGKRZSA-N -1 3 265.309 1.701 20 10 CDCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCCOC1 ZINC001231453981 942897667 /nfs/dbraw/zinc/89/76/67/942897667.db2.gz SGNLZWBOLRMUFC-LBPRGKRZSA-N -1 3 265.309 1.701 20 10 CDCDHM COCC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C(C)C ZINC001231563724 942931368 /nfs/dbraw/zinc/93/13/68/942931368.db2.gz KPPHGIIGLUHCNP-UHFFFAOYSA-N -1 3 267.325 1.947 20 10 CDCDHM COCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C(C)C ZINC001231563724 942931372 /nfs/dbraw/zinc/93/13/72/942931372.db2.gz KPPHGIIGLUHCNP-UHFFFAOYSA-N -1 3 267.325 1.947 20 10 CDCDHM C[C@]1(CO)CCN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC001233076790 943485216 /nfs/dbraw/zinc/48/52/16/943485216.db2.gz VDWRATXWTBMETJ-SMDDNHRTSA-N -1 3 287.306 1.236 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC(C2COC2)C1 ZINC001233331823 943545469 /nfs/dbraw/zinc/54/54/69/943545469.db2.gz MLMJMCCTZRMQID-UHFFFAOYSA-N -1 3 255.264 1.749 20 10 CDCDHM O=C(Cn1ccccc1=O)NCc1c([O-])cccc1F ZINC001303879270 956130254 /nfs/dbraw/zinc/13/02/54/956130254.db2.gz VTKSTJQDKRFHDM-UHFFFAOYSA-N -1 3 276.267 1.009 20 10 CDCDHM CC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@H](C)O ZINC001595278881 980315267 /nfs/dbraw/zinc/31/52/67/980315267.db2.gz KRVCWBPGJVDGOI-PTRXPTGYSA-N -1 3 267.325 1.900 20 10 CDCDHM C[C@H]([NH2+]CCc1cnn(C)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593275395 994628754 /nfs/dbraw/zinc/62/87/54/994628754.db2.gz SMASJSBTGVFUIM-JTQLQIEISA-N -1 3 289.335 1.717 20 10 CDCDHM COCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605080203 1163444929 /nfs/dbraw/zinc/44/49/29/1163444929.db2.gz WSYWFGLONDFYSQ-ZJUUUORDSA-N -1 3 291.355 1.648 20 10 CDCDHM CCC[C@H](O)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605221135 1163491716 /nfs/dbraw/zinc/49/17/16/1163491716.db2.gz IKHAMXCTCXNKSB-KOLCDFICSA-N -1 3 267.325 1.902 20 10 CDCDHM COC[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000180175047 357249934 /nfs/dbraw/zinc/24/99/34/357249934.db2.gz RZQLHSRWYHWELY-GFCCVEGCSA-N -1 3 255.289 1.379 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCOC[C@@H](O)C1 ZINC000294835966 199205135 /nfs/dbraw/zinc/20/51/35/199205135.db2.gz QMLLZKMZZCDSMX-JTQLQIEISA-N -1 3 257.717 1.239 20 10 CDCDHM COc1c([O-])c(CN2CC(C(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000297305606 200142197 /nfs/dbraw/zinc/14/21/97/200142197.db2.gz BWSKLUVFQNDHPB-UHFFFAOYSA-N -1 3 296.323 1.512 20 10 CDCDHM COCC1(O)CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272999177 365462390 /nfs/dbraw/zinc/46/23/90/365462390.db2.gz OFYDIZRGAKMEFW-UHFFFAOYSA-N -1 3 295.335 1.020 20 10 CDCDHM COC(=O)CSCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272887237 365433228 /nfs/dbraw/zinc/43/32/28/365433228.db2.gz YSOAUTXEOFDRLV-UHFFFAOYSA-N -1 3 299.348 1.042 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273377004 365489820 /nfs/dbraw/zinc/48/98/20/365489820.db2.gz HKFOSTNVAMZSPD-VHSXEESVSA-N -1 3 294.351 1.354 20 10 CDCDHM CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000273585709 365510645 /nfs/dbraw/zinc/51/06/45/365510645.db2.gz ZSIXPPZJODRUQV-NXEZZACHSA-N -1 3 295.335 1.724 20 10 CDCDHM CS(=O)(=O)[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000282674061 367985417 /nfs/dbraw/zinc/98/54/17/367985417.db2.gz HTQDQZWDUQOFQC-VIFPVBQESA-N -1 3 289.784 1.665 20 10 CDCDHM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000286066298 368690739 /nfs/dbraw/zinc/69/07/39/368690739.db2.gz MDNWLCKXOHQNEO-IUCAKERBSA-N -1 3 281.308 1.415 20 10 CDCDHM COCC(C)(C)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000294114443 370950184 /nfs/dbraw/zinc/95/01/84/370950184.db2.gz NNBRTKGGNNNUDP-UHFFFAOYSA-N -1 3 267.325 1.903 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cnnn2C)c1 ZINC000287162699 369107569 /nfs/dbraw/zinc/10/75/69/369107569.db2.gz BUQRKRKGFIWRCD-SECBINFHSA-N -1 3 290.323 1.158 20 10 CDCDHM C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000270460552 391275603 /nfs/dbraw/zinc/27/56/03/391275603.db2.gz FMLAYVRLEXDVRV-SNVBAGLBSA-N -1 3 294.229 1.703 20 10 CDCDHM CCc1nc(C)c(CNC(=O)c2cccc(O)c2[O-])o1 ZINC000294036134 392439219 /nfs/dbraw/zinc/43/92/19/392439219.db2.gz OGDPSVLZJUPRLR-UHFFFAOYSA-N -1 3 276.292 1.887 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)[S@@]1=O ZINC000287211144 287175391 /nfs/dbraw/zinc/17/53/91/287175391.db2.gz IITIWSCIFICKPH-DCLVOVMVSA-N -1 3 297.376 1.469 20 10 CDCDHM CC(C)(C)[C@H](CCO)NC(=O)c1cccc(O)c1[O-] ZINC000185906212 262310724 /nfs/dbraw/zinc/31/07/24/262310724.db2.gz KSOAGHYVPWDCRW-NSHDSACASA-N -1 3 267.325 1.625 20 10 CDCDHM O=S(=O)(C1CC1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000529640374 271012497 /nfs/dbraw/zinc/01/24/97/271012497.db2.gz MHDQIJVGKIGAMW-UHFFFAOYSA-N -1 3 296.392 1.002 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)O)C2)c([O-])c1O ZINC000272954015 328202033 /nfs/dbraw/zinc/20/20/33/328202033.db2.gz IRKVCCCWXVXYDK-ZJUUUORDSA-N -1 3 265.309 1.249 20 10 CDCDHM COc1ccc(N(C)C(=O)/C=C\c2cncc([O-])c2)cn1 ZINC000492438040 332397426 /nfs/dbraw/zinc/39/74/26/332397426.db2.gz ISVLLWJYLZGGTC-UTCJRWHESA-N -1 3 285.303 1.867 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000232594864 333339178 /nfs/dbraw/zinc/33/91/78/333339178.db2.gz NKXOUZPBPREPDO-OAHLLOKOSA-N -1 3 294.326 1.431 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC(=O)N(C3CC3)C2)c1[O-] ZINC000279182534 518285161 /nfs/dbraw/zinc/28/51/61/518285161.db2.gz SASRUYJMEUFXHB-UHFFFAOYSA-N -1 3 292.310 1.498 20 10 CDCDHM COc1c([O-])c(CN(CC(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000278291659 521870225 /nfs/dbraw/zinc/87/02/25/521870225.db2.gz UVDKPYSFLVVPPN-UHFFFAOYSA-N -1 3 297.311 1.005 20 10 CDCDHM CO[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@H]1OC ZINC000234881308 523737521 /nfs/dbraw/zinc/73/75/21/523737521.db2.gz YGKODHZTRYNFHU-TXEJJXNPSA-N -1 3 255.289 1.377 20 10 CDCDHM Cc1n[nH]cc1CCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000751538484 574649049 /nfs/dbraw/zinc/64/90/49/574649049.db2.gz PTZFXFKUSHKVBJ-UHFFFAOYSA-N -1 3 289.335 1.800 20 10 CDCDHM O=C(CCNC(=O)c1cc([O-])cs1)N1CCCCCC1 ZINC000731872232 575067639 /nfs/dbraw/zinc/06/76/39/575067639.db2.gz ANPIRHRFUFOYFD-UHFFFAOYSA-N -1 3 296.392 1.976 20 10 CDCDHM Cc1nn(C)cc1[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000732285207 575086931 /nfs/dbraw/zinc/08/69/31/575086931.db2.gz WRYTZYZVUGNXNR-ZETCQYMHSA-N -1 3 265.338 1.987 20 10 CDCDHM COC(=O)C[C@]1(NCc2cccc(Cl)c2[O-])CCOC1 ZINC000768534039 576294249 /nfs/dbraw/zinc/29/42/49/576294249.db2.gz LKYYYUQTDFSEMW-CQSZACIVSA-N -1 3 299.754 1.857 20 10 CDCDHM CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(F)ccc1[O-] ZINC000742438758 576603268 /nfs/dbraw/zinc/60/32/68/576603268.db2.gz DWSBDYYUBTYBDT-LBPRGKRZSA-N -1 3 264.300 1.904 20 10 CDCDHM O=C(NCCc1ccc(O)c(O)c1)c1cc([O-])cs1 ZINC000762275230 576636724 /nfs/dbraw/zinc/63/67/24/576636724.db2.gz PBCMZYBRLWWTPA-UHFFFAOYSA-N -1 3 279.317 1.837 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC[C@H](CN2CCOCC2)C1 ZINC000743706549 576651628 /nfs/dbraw/zinc/65/16/28/576651628.db2.gz XOSNGYLTKXDGCB-LLVKDONJSA-N -1 3 296.392 1.248 20 10 CDCDHM CCC(=O)N1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000762578149 576655513 /nfs/dbraw/zinc/65/55/13/576655513.db2.gz DWYHQCXPVYBTIL-MRVPVSSYSA-N -1 3 268.338 1.194 20 10 CDCDHM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc([O-])cs1 ZINC000748299265 576904196 /nfs/dbraw/zinc/90/41/96/576904196.db2.gz QEQKPJSKMFOBNJ-DGCLKSJQSA-N -1 3 275.329 1.842 20 10 CDCDHM C[C@@H](N[C@@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638791 576998012 /nfs/dbraw/zinc/99/80/12/576998012.db2.gz RUNHNBRIRPJVMY-BXKDBHETSA-N -1 3 293.323 1.572 20 10 CDCDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756777168 577003785 /nfs/dbraw/zinc/00/37/85/577003785.db2.gz WJXCEEUBAQBOFZ-ISVAXAHUSA-N -1 3 297.305 1.788 20 10 CDCDHM C[C@@H]1C[C@@H](NCc2ncn(C)n2)c2c1c(F)ccc2[O-] ZINC000756778864 577003997 /nfs/dbraw/zinc/00/39/97/577003997.db2.gz GDHVJNQVMJLXDZ-PSASIEDQSA-N -1 3 276.315 1.998 20 10 CDCDHM Cc1cc(N(C)Cc2ccccc2O)ncc1-c1nnn[n-]1 ZINC001605688851 1163643724 /nfs/dbraw/zinc/64/37/24/1163643724.db2.gz YGTBRXVVUZWAGR-UHFFFAOYSA-N -1 3 296.334 1.912 20 10 CDCDHM Cc1cc(N(C)Cc2ccccc2O)ncc1-c1nn[n-]n1 ZINC001605688851 1163643726 /nfs/dbraw/zinc/64/37/26/1163643726.db2.gz YGTBRXVVUZWAGR-UHFFFAOYSA-N -1 3 296.334 1.912 20 10 CDCDHM C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cn[nH]c1 ZINC001589954555 1173212282 /nfs/dbraw/zinc/21/22/82/1173212282.db2.gz YXUALNDUNCWWQZ-RKDXNWHRSA-N -1 3 299.338 1.707 20 10 CDCDHM C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589965880 1173215391 /nfs/dbraw/zinc/21/53/91/1173215391.db2.gz RHNOSOBPHTUEEI-ZJUUUORDSA-N -1 3 289.339 1.402 20 10 CDCDHM C[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589965874 1173216939 /nfs/dbraw/zinc/21/69/39/1173216939.db2.gz RHNOSOBPHTUEEI-NXEZZACHSA-N -1 3 289.339 1.402 20 10 CDCDHM CCOCC[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590813524 1173520524 /nfs/dbraw/zinc/52/05/24/1173520524.db2.gz SCUHMPUITTZRHZ-LBPRGKRZSA-N -1 3 291.355 1.650 20 10 CDCDHM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001591032696 1173561970 /nfs/dbraw/zinc/56/19/70/1173561970.db2.gz WBYDVYUXEYBVGU-UHFFFAOYSA-N -1 3 295.350 1.940 20 10 CDCDHM CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001591032696 1173561974 /nfs/dbraw/zinc/56/19/74/1173561974.db2.gz WBYDVYUXEYBVGU-UHFFFAOYSA-N -1 3 295.350 1.940 20 10 CDCDHM C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603695264 1175601191 /nfs/dbraw/zinc/60/11/91/1175601191.db2.gz JPFGAOHEZUFAJK-GUBZILKMSA-N -1 3 291.355 1.382 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC000840974914 758978647 /nfs/dbraw/zinc/97/86/47/758978647.db2.gz JKTPWQBGOJVCFM-LDYMZIIASA-N -1 3 289.734 1.360 20 10 CDCDHM NC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790489176 758984042 /nfs/dbraw/zinc/98/40/42/758984042.db2.gz CCKBRLFGNUHJTH-LBPRGKRZSA-N -1 3 286.287 1.054 20 10 CDCDHM CC(C)N1CC[C@H](NCc2cc(F)cc(F)c2[O-])C1=O ZINC000708409345 769677973 /nfs/dbraw/zinc/67/79/73/769677973.db2.gz MNFMBSJSRZWPTJ-LBPRGKRZSA-N -1 3 284.306 1.769 20 10 CDCDHM CCOc1ncccc1CNC(=O)c1cccc(O)c1[O-] ZINC000186885014 770615895 /nfs/dbraw/zinc/61/58/95/770615895.db2.gz IRCWNPQCKKXZGG-UHFFFAOYSA-N -1 3 288.303 1.822 20 10 CDCDHM C[C@H](CNCc1c([O-])ccc(Cl)c1F)S(C)(=O)=O ZINC000790982698 771051661 /nfs/dbraw/zinc/05/16/61/771051661.db2.gz HCAHLCYOVNMPIB-SSDOTTSWSA-N -1 3 295.763 1.707 20 10 CDCDHM O=C(N[C@H](CCO)c1ccccc1)c1cccc(O)c1[O-] ZINC000776353740 771786620 /nfs/dbraw/zinc/78/66/20/771786620.db2.gz BVPPXXPTWIBVOK-CYBMUJFWSA-N -1 3 287.315 1.951 20 10 CDCDHM CC(C)(O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000716365518 771790288 /nfs/dbraw/zinc/79/02/88/771790288.db2.gz FIVPWTQOKOFMKK-UHFFFAOYSA-N -1 3 279.336 1.721 20 10 CDCDHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(O)cc1F ZINC000085203940 771867058 /nfs/dbraw/zinc/86/70/58/771867058.db2.gz WQRAMHYGZVWYMR-VIFPVBQESA-N -1 3 275.301 1.452 20 10 CDCDHM C[C@H]1CN(C)C(=O)CN1Cc1cc(Cl)ccc1[O-] ZINC000783734587 772619283 /nfs/dbraw/zinc/61/92/83/772619283.db2.gz UJPORJSCLMWPJD-VIFPVBQESA-N -1 3 268.744 1.708 20 10 CDCDHM CC(C)OCCS(=O)(=O)[N-]c1ccc(O)cc1F ZINC000093666483 773651892 /nfs/dbraw/zinc/65/18/92/773651892.db2.gz UMCZSBSJPVXILM-UHFFFAOYSA-N -1 3 277.317 1.698 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CC(N2CC(F)C2)C1 ZINC001140338189 895815299 /nfs/dbraw/zinc/81/52/99/895815299.db2.gz YXODBWWLWVKXFU-UHFFFAOYSA-N -1 3 270.735 1.884 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CC(O)(C(F)(F)F)C1 ZINC001140057638 936674994 /nfs/dbraw/zinc/67/49/94/936674994.db2.gz IOIZEJPJLWRTGP-UHFFFAOYSA-N -1 3 265.206 1.640 20 10 CDCDHM O=S1CC2(CN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140463124 936712801 /nfs/dbraw/zinc/71/28/01/936712801.db2.gz UCECQUWHOUSFIL-UHFFFAOYSA-N -1 3 271.769 1.610 20 10 CDCDHM Cc1cc(C[C@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)on1 ZINC001148582189 932750955 /nfs/dbraw/zinc/75/09/55/932750955.db2.gz ZOJOKCKBGSBSGP-ZETCQYMHSA-N -1 3 292.291 1.461 20 10 CDCDHM O=C(N[C@@H]1CCCC[C@H]1F)c1cc(O)c([O-])c(O)c1 ZINC001148586327 932753146 /nfs/dbraw/zinc/75/31/46/932753146.db2.gz KWVWCTVNEJRVEH-RKDXNWHRSA-N -1 3 269.272 1.814 20 10 CDCDHM CCOC(OCC)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001160177513 938774034 /nfs/dbraw/zinc/77/40/34/938774034.db2.gz XLVRVNMTCYWJLW-SECBINFHSA-N -1 3 283.324 1.615 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccncn2)CC1 ZINC001161685713 938920222 /nfs/dbraw/zinc/92/02/22/938920222.db2.gz FOMPWNHSIBEJBE-UHFFFAOYSA-N -1 3 299.330 1.908 20 10 CDCDHM O=C(NCCc1cnccn1)NCc1c([O-])cccc1F ZINC001225140507 941825195 /nfs/dbraw/zinc/82/51/95/941825195.db2.gz IUSDHIYUUJIOOC-UHFFFAOYSA-N -1 3 290.298 1.363 20 10 CDCDHM COC[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445900 942890847 /nfs/dbraw/zinc/89/08/47/942890847.db2.gz CKDUDGGESQAZRR-JTQLQIEISA-N -1 3 265.309 1.559 20 10 CDCDHM COC[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445900 942890851 /nfs/dbraw/zinc/89/08/51/942890851.db2.gz CKDUDGGESQAZRR-JTQLQIEISA-N -1 3 265.309 1.559 20 10 CDCDHM COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447470 942893295 /nfs/dbraw/zinc/89/32/95/942893295.db2.gz UYPBLMKVMMPLJP-LLVKDONJSA-N -1 3 279.292 1.085 20 10 CDCDHM COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447470 942893301 /nfs/dbraw/zinc/89/33/01/942893301.db2.gz UYPBLMKVMMPLJP-LLVKDONJSA-N -1 3 279.292 1.085 20 10 CDCDHM [O-]c1c(CN2CCN3CC[C@@H]3C2)ccc(F)c1F ZINC001233080486 943486848 /nfs/dbraw/zinc/48/68/48/943486848.db2.gz VKXXCSWYPIEHRR-SNVBAGLBSA-N -1 3 254.280 1.560 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](N2CCOCC2)C1 ZINC001233334735 943546657 /nfs/dbraw/zinc/54/66/57/943546657.db2.gz RIEIHWXDXQYYHR-NSHDSACASA-N -1 3 298.333 1.577 20 10 CDCDHM CN(C1CN(Cc2c([O-])ccc(F)c2F)C1)[C@@H]1CCOC1 ZINC001233335138 943548003 /nfs/dbraw/zinc/54/80/03/943548003.db2.gz ITYZIOWFLBFNLG-SNVBAGLBSA-N -1 3 298.333 1.575 20 10 CDCDHM COc1cc([O-])c(CN2C[C@@H](O)[C@@H](F)C2)c(Cl)c1 ZINC001236798480 944569929 /nfs/dbraw/zinc/56/99/29/944569929.db2.gz OWFJOXQOOQCFAF-CMPLNLGQSA-N -1 3 275.707 1.569 20 10 CDCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H](O)[C@H](CO)C1 ZINC001237076936 944652928 /nfs/dbraw/zinc/65/29/28/944652928.db2.gz AWSRWLDSGDUJJD-WRWORJQWSA-N -1 3 292.162 1.484 20 10 CDCDHM COc1cc(C)c(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001594054210 958011638 /nfs/dbraw/zinc/01/16/38/958011638.db2.gz OHWRXJMABFYTKR-MGCOHNPYSA-N -1 3 265.309 1.662 20 10 CDCDHM C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC001322340454 960187691 /nfs/dbraw/zinc/18/76/91/960187691.db2.gz WDIABEXQJVFTIE-SECBINFHSA-N -1 3 295.335 1.948 20 10 CDCDHM Cc1nnc(CNCc2cc(Cl)c(F)cc2[O-])n1C ZINC001324275173 961277349 /nfs/dbraw/zinc/27/73/49/961277349.db2.gz BWGWUQBARAAURF-UHFFFAOYSA-N -1 3 284.722 1.911 20 10 CDCDHM CC(C)[C@@H](O)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245923 994443260 /nfs/dbraw/zinc/44/32/60/994443260.db2.gz DXEUUICVUWUMAI-RNCFNFMXSA-N -1 3 267.325 1.758 20 10 CDCDHM CCC[C@@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000229388912 398219147 /nfs/dbraw/zinc/21/91/47/398219147.db2.gz YFEZZJOVHDLWOZ-CYBMUJFWSA-N -1 3 253.298 1.379 20 10 CDCDHM COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000271236478 364977667 /nfs/dbraw/zinc/97/76/67/364977667.db2.gz CKGJQKSOFGPJDI-HNNXBMFYSA-N -1 3 293.319 1.431 20 10 CDCDHM COC(=O)C[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272774432 365391184 /nfs/dbraw/zinc/39/11/84/365391184.db2.gz SZKHFSLLWBSSEB-JTQLQIEISA-N -1 3 293.319 1.574 20 10 CDCDHM CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@H]1O ZINC000273028077 365464156 /nfs/dbraw/zinc/46/41/56/365464156.db2.gz SHLHDYLBYRWLSQ-GXSJLCMTSA-N -1 3 265.309 1.249 20 10 CDCDHM CCn1cnnc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000285762860 368657006 /nfs/dbraw/zinc/65/70/06/368657006.db2.gz KPRLOJNGSGIZCR-UHFFFAOYSA-N -1 3 262.269 1.270 20 10 CDCDHM CC(C)N1CC[C@H](N(C)Cc2ccccc2[O-])C1=O ZINC000177676341 391174133 /nfs/dbraw/zinc/17/41/33/391174133.db2.gz HESDZLJCVUHNKU-ZDUSSCGKSA-N -1 3 262.353 1.833 20 10 CDCDHM Cc1ccc(C(=O)N2CCCO[C@@H](C)C2)c([O-])c1O ZINC000182312480 391232967 /nfs/dbraw/zinc/23/29/67/391232967.db2.gz XHGVEBYHKOQBPP-JTQLQIEISA-N -1 3 265.309 1.657 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H](O)CC(C)(C)C)c([O-])c1O ZINC000182466060 391234922 /nfs/dbraw/zinc/23/49/22/391234922.db2.gz WCSIBBOLJOJPRI-JTQLQIEISA-N -1 3 281.352 1.933 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCN(CCO)CC1 ZINC000183370790 391263194 /nfs/dbraw/zinc/26/31/94/391263194.db2.gz FFLIZBGGFQYCQZ-UHFFFAOYSA-N -1 3 270.760 1.156 20 10 CDCDHM CO[C@H](C)CS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000193339576 391337340 /nfs/dbraw/zinc/33/73/40/391337340.db2.gz KVFWTEGEURRFND-SSDOTTSWSA-N -1 3 279.745 1.822 20 10 CDCDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1ccccc1[O-] ZINC000271440307 289029679 /nfs/dbraw/zinc/02/96/79/289029679.db2.gz RUVXVDAEBGLWBL-RLFDGXBXSA-N -1 3 253.367 1.734 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](CO)CC(C)(C)C)c([O-])c1O ZINC000182856568 397968602 /nfs/dbraw/zinc/96/86/02/397968602.db2.gz DPBWWQYGZKHQEG-SNVBAGLBSA-N -1 3 281.352 1.933 20 10 CDCDHM C[C@H](NCCS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000185226448 262047104 /nfs/dbraw/zinc/04/71/04/262047104.db2.gz SLJPXYVXVCNDKJ-QMMMGPOBSA-N -1 3 277.773 1.741 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCCCNC2=O)c([O-])c1O ZINC000378566580 329055221 /nfs/dbraw/zinc/05/52/21/329055221.db2.gz ATHCTIUETGTLFO-LLVKDONJSA-N -1 3 292.335 1.147 20 10 CDCDHM O=C(NCC(F)(F)C(F)F)c1cccc(O)c1[O-] ZINC000276838801 334806460 /nfs/dbraw/zinc/80/64/60/334806460.db2.gz MDUSYHYLSVSZJS-UHFFFAOYSA-N -1 3 267.178 1.728 20 10 CDCDHM CCCOc1ccc(CN2CCN(C)C(=O)C2)c([O-])c1 ZINC000127384468 520349267 /nfs/dbraw/zinc/34/92/67/520349267.db2.gz GRKQUDHZARODMN-UHFFFAOYSA-N -1 3 278.352 1.455 20 10 CDCDHM CO[C@H]1COC[C@@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290015148 524010012 /nfs/dbraw/zinc/01/00/12/524010012.db2.gz BWYJUZKSNMBASB-QWRKXWFKSA-N -1 3 282.296 1.365 20 10 CDCDHM O=C(NCCCO[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000274948587 527688813 /nfs/dbraw/zinc/68/88/13/527688813.db2.gz HSVKBMPTCYNIHS-SNVBAGLBSA-N -1 3 281.308 1.023 20 10 CDCDHM Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc([O-])cs1 ZINC000731868795 575068752 /nfs/dbraw/zinc/06/87/52/575068752.db2.gz WEVUGSXQDBDFSU-JTQLQIEISA-N -1 3 277.349 1.995 20 10 CDCDHM CN(CCn1cccn1)C(=O)c1cc([O-])cs1 ZINC000732302153 575086264 /nfs/dbraw/zinc/08/62/64/575086264.db2.gz NISRMCJKPBUIHB-UHFFFAOYSA-N -1 3 251.311 1.422 20 10 CDCDHM O=C(CNC(=O)c1cc([O-])cs1)NC1CCCC1 ZINC000732279261 575086363 /nfs/dbraw/zinc/08/63/63/575086363.db2.gz NLMSFTUXPBFUJY-UHFFFAOYSA-N -1 3 268.338 1.242 20 10 CDCDHM O=C(NC[C@H](O)c1cccnc1)c1cc([O-])cs1 ZINC000772499468 575711353 /nfs/dbraw/zinc/71/13/53/575711353.db2.gz KVEIJXWAAGXSCB-JTQLQIEISA-N -1 3 264.306 1.312 20 10 CDCDHM COc1cccc(CNCc2ccc(C(=O)[O-])o2)c1O ZINC000738105137 576039027 /nfs/dbraw/zinc/03/90/27/576039027.db2.gz UWTVWZYBHGNKAO-UHFFFAOYSA-N -1 3 277.276 1.982 20 10 CDCDHM CCOc1ccc(CN(CC)CC(=O)OC)c([O-])c1 ZINC000769316010 576345195 /nfs/dbraw/zinc/34/51/95/576345195.db2.gz GSZQQIWJZUKICT-UHFFFAOYSA-N -1 3 267.325 1.786 20 10 CDCDHM CCS(=O)(=O)CCN(C)Cc1c([O-])cccc1OC ZINC000769484123 576357994 /nfs/dbraw/zinc/35/79/94/576357994.db2.gz CVPFZRSLZZNJLW-UHFFFAOYSA-N -1 3 287.381 1.267 20 10 CDCDHM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000760151553 576459658 /nfs/dbraw/zinc/45/96/58/576459658.db2.gz DZHGELACFBIVPN-QMMMGPOBSA-N -1 3 271.338 1.866 20 10 CDCDHM COc1cc(Cl)cc(CN2CCCNC(=O)C2)c1[O-] ZINC000761195767 576558240 /nfs/dbraw/zinc/55/82/40/576558240.db2.gz NHTMTCJZPGWNPM-UHFFFAOYSA-N -1 3 284.743 1.376 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)[C@@H]1CCOC1 ZINC000762894182 576689070 /nfs/dbraw/zinc/68/90/70/576689070.db2.gz VFVXKPJQLVKFFZ-SSDOTTSWSA-N -1 3 256.279 1.216 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000750538393 576994772 /nfs/dbraw/zinc/99/47/72/576994772.db2.gz HJTTWHCXBRADLE-UWVGGRQHSA-N -1 3 267.350 1.952 20 10 CDCDHM C[C@H](NC[C@H](C)S(C)(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000756770101 577003818 /nfs/dbraw/zinc/00/38/18/577003818.db2.gz QPTSIXPPAJNHEC-YUMQZZPRSA-N -1 3 293.335 1.754 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000757422795 577039994 /nfs/dbraw/zinc/03/99/94/577039994.db2.gz ACQJIFUWDXYAPW-WDEREUQCSA-N -1 3 283.349 1.474 20 10 CDCDHM CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000820387626 598131216 /nfs/dbraw/zinc/13/12/16/598131216.db2.gz VHXAEZSOBOVHSF-VIFPVBQESA-N -1 3 253.298 1.696 20 10 CDCDHM CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000820387626 598131217 /nfs/dbraw/zinc/13/12/17/598131217.db2.gz VHXAEZSOBOVHSF-VIFPVBQESA-N -1 3 253.298 1.696 20 10 CDCDHM CN(Cc1ccccc1O)c1ccc(-c2nnn[n-]2)cn1 ZINC000825981805 608016074 /nfs/dbraw/zinc/01/60/74/608016074.db2.gz YGLVDGCSZVIBAF-UHFFFAOYSA-N -1 3 282.307 1.604 20 10 CDCDHM CN(Cc1ccccc1O)c1ccc(-c2nn[n-]n2)cn1 ZINC000825981805 608016075 /nfs/dbraw/zinc/01/60/75/608016075.db2.gz YGLVDGCSZVIBAF-UHFFFAOYSA-N -1 3 282.307 1.604 20 10 CDCDHM CO[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H](C(=O)[O-])C1 ZINC000902031167 618527989 /nfs/dbraw/zinc/52/79/89/618527989.db2.gz HWZQPPAGTINHJM-VXGBXAGGSA-N -1 3 265.309 1.456 20 10 CDCDHM CO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H](C(=O)[O-])C1 ZINC000902031167 618527992 /nfs/dbraw/zinc/52/79/92/618527992.db2.gz HWZQPPAGTINHJM-VXGBXAGGSA-N -1 3 265.309 1.456 20 10 CDCDHM Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC001607667626 1164262558 /nfs/dbraw/zinc/26/25/58/1164262558.db2.gz MJQILMCFFDMZCN-UONOGXRCSA-N -1 3 278.352 1.081 20 10 CDCDHM C[C@@H](O)[C@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001579419600 1172172846 /nfs/dbraw/zinc/17/28/46/1172172846.db2.gz BTFXDRTVRCVLRD-ANLVUFKYSA-N -1 3 293.150 1.023 20 10 CDCDHM Oc1cccc2c1CN(c1ncc(-c3nnn[n-]3)cc1F)C2 ZINC001593540207 1174111366 /nfs/dbraw/zinc/11/13/66/1174111366.db2.gz RPTQCADPVMGKCI-UHFFFAOYSA-N -1 3 298.281 1.627 20 10 CDCDHM Oc1cccc2c1CN(c1ncc(-c3nn[n-]n3)cc1F)C2 ZINC001593540207 1174111369 /nfs/dbraw/zinc/11/13/69/1174111369.db2.gz RPTQCADPVMGKCI-UHFFFAOYSA-N -1 3 298.281 1.627 20 10 CDCDHM CC(=O)N[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000228356327 777710273 /nfs/dbraw/zinc/71/02/73/777710273.db2.gz RAZDHUFKNFCEHG-NSHDSACASA-N -1 3 268.744 1.756 20 10 CDCDHM O=C(Nc1ccnn1[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000888592762 777840878 /nfs/dbraw/zinc/84/08/78/777840878.db2.gz IFXNESRRDQUYCV-VIFPVBQESA-N -1 3 289.291 1.508 20 10 CDCDHM O=C(N[C@H](CO)C1CCCCC1)c1cccc(O)c1[O-] ZINC000386039315 773841385 /nfs/dbraw/zinc/84/13/85/773841385.db2.gz SJNWXQNXLBPRID-GFCCVEGCSA-N -1 3 279.336 1.769 20 10 CDCDHM COC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000307765810 774310568 /nfs/dbraw/zinc/31/05/68/774310568.db2.gz CFWJPHVBNMXNJD-SNVBAGLBSA-N -1 3 265.309 1.739 20 10 CDCDHM C[C@](O)(CNC(=O)c1cccc(O)c1[O-])c1cccs1 ZINC000185768874 774594838 /nfs/dbraw/zinc/59/48/38/774594838.db2.gz ZDEWMXBRLJOIIZ-AWEZNQCLSA-N -1 3 293.344 1.797 20 10 CDCDHM CC(=O)NCCN(C)Cc1c([O-])cccc1Cl ZINC000308309815 774870920 /nfs/dbraw/zinc/87/09/20/774870920.db2.gz QPHNGHUCRQBPLP-UHFFFAOYSA-N -1 3 256.733 1.614 20 10 CDCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCNC1=O ZINC000816521175 775089050 /nfs/dbraw/zinc/08/90/50/775089050.db2.gz JDSPHSZSTMRMIE-SNVBAGLBSA-N -1 3 272.707 1.505 20 10 CDCDHM C[C@@H]1CCCCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846230054 775639322 /nfs/dbraw/zinc/63/93/22/775639322.db2.gz BRWWHAZCSITWDY-SECBINFHSA-N -1 3 290.323 1.508 20 10 CDCDHM O=C([O-])[C@]12C[N@H+](Cc3ccccc3[O-])C[C@H]1COCC2 ZINC000715863206 776039381 /nfs/dbraw/zinc/03/93/81/776039381.db2.gz IAVJMRZDHSMIRJ-SWLSCSKDSA-N -1 3 277.320 1.315 20 10 CDCDHM O=C([O-])[C@]12C[N@@H+](Cc3ccccc3[O-])C[C@H]1COCC2 ZINC000715863206 776039393 /nfs/dbraw/zinc/03/93/93/776039393.db2.gz IAVJMRZDHSMIRJ-SWLSCSKDSA-N -1 3 277.320 1.315 20 10 CDCDHM O=C(NCCCO[C@@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000839750178 776210791 /nfs/dbraw/zinc/21/07/91/776210791.db2.gz LKBQZSGCEKOVJQ-CYBMUJFWSA-N -1 3 295.335 1.761 20 10 CDCDHM COc1ccnc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000187212030 776425683 /nfs/dbraw/zinc/42/56/83/776425683.db2.gz BUHAESVGVVEGCJ-UHFFFAOYSA-N -1 3 260.249 1.754 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827119515 778301473 /nfs/dbraw/zinc/30/14/73/778301473.db2.gz MQVGQIQFVAFWKD-CYBMUJFWSA-N -1 3 296.798 1.952 20 10 CDCDHM CC(=O)NC1CN(Cc2c([O-])cccc2Br)C1 ZINC000862369767 778688767 /nfs/dbraw/zinc/68/87/67/778688767.db2.gz XGJVNJPVQWOTFQ-UHFFFAOYSA-N -1 3 299.168 1.475 20 10 CDCDHM Cc1nn(C)c2c1N(C(=O)c1cccc(O)c1[O-])CCO2 ZINC000866523505 779120256 /nfs/dbraw/zinc/12/02/56/779120256.db2.gz DMCYSWKFDFHQJS-UHFFFAOYSA-N -1 3 289.291 1.179 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CCc2nccn2CC1 ZINC001142527557 908867581 /nfs/dbraw/zinc/86/75/81/908867581.db2.gz ZBGAUTZUVPEORK-UHFFFAOYSA-N -1 3 279.290 1.925 20 10 CDCDHM C[C@@]1(O)COCCN(Cc2c([O-])cccc2F)C1 ZINC001137832841 936417642 /nfs/dbraw/zinc/41/76/42/936417642.db2.gz JWHMEPWXNFWCAI-ZDUSSCGKSA-N -1 3 255.289 1.115 20 10 CDCDHM [O-]c1c(F)cccc1CN1C[C@H](CO)C[C@H](F)C1 ZINC001138122403 936473716 /nfs/dbraw/zinc/47/37/16/936473716.db2.gz BZPZKBSQEUHYEP-KOLCDFICSA-N -1 3 257.280 1.684 20 10 CDCDHM NC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1Br ZINC001140098862 936678400 /nfs/dbraw/zinc/67/84/00/936678400.db2.gz PMVPPVQGWIFKNW-JTQLQIEISA-N -1 3 299.168 1.604 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN([C@H]2CCOC2)CC1 ZINC001137831823 922460366 /nfs/dbraw/zinc/46/03/66/922460366.db2.gz OWIDEDRPCBKIHJ-LBPRGKRZSA-N -1 3 280.343 1.438 20 10 CDCDHM Cc1ccc(C(=O)Nc2csc(C(N)=O)c2)c([O-])c1O ZINC001149715271 937202175 /nfs/dbraw/zinc/20/21/75/937202175.db2.gz XPMZRINPIRUCQK-UHFFFAOYSA-N -1 3 292.316 1.819 20 10 CDCDHM O=C(Nc1cccc2nccn21)c1cc(O)c([O-])c(O)c1 ZINC001148581750 932750977 /nfs/dbraw/zinc/75/09/77/932750977.db2.gz URRCVXZUIMPKAI-UHFFFAOYSA-N -1 3 285.259 1.703 20 10 CDCDHM O=C(Cc1ccc(F)cn1)NCc1c([O-])cccc1F ZINC001156177491 938328782 /nfs/dbraw/zinc/32/87/82/938328782.db2.gz IAPBCXAGJQVXQB-UHFFFAOYSA-N -1 3 278.258 1.924 20 10 CDCDHM COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001207776810 940243056 /nfs/dbraw/zinc/24/30/56/940243056.db2.gz ZTGHCLMSCIUIDI-ZYHUDNBSSA-N -1 3 299.754 1.462 20 10 CDCDHM CN(C)C(=O)CC[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454947 942898892 /nfs/dbraw/zinc/89/88/92/942898892.db2.gz KXVRWRQWWAJAQS-UHFFFAOYSA-N -1 3 280.324 1.001 20 10 CDCDHM CN(C)C(=O)CC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454947 942898893 /nfs/dbraw/zinc/89/88/93/942898893.db2.gz KXVRWRQWWAJAQS-UHFFFAOYSA-N -1 3 280.324 1.001 20 10 CDCDHM O=C([O-])c1ccc(CN2CCCC3(C2)OCCO3)c(O)c1 ZINC001231455627 942899567 /nfs/dbraw/zinc/89/95/67/942899567.db2.gz SDHAFWOVAQRTMG-UHFFFAOYSA-N -1 3 293.319 1.429 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](O)[C@@H](CO)C1 ZINC001231910948 943052567 /nfs/dbraw/zinc/05/25/67/943052567.db2.gz WSSYRXTZDHFMCT-PWSUYJOCSA-N -1 3 271.744 1.221 20 10 CDCDHM O=C1COC2(C1)CCN(Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233076694 943485420 /nfs/dbraw/zinc/48/54/20/943485420.db2.gz SXEMDFQPEXBOCL-UHFFFAOYSA-N -1 3 297.301 1.994 20 10 CDCDHM CN1CCC2(CN(Cc3ccc(F)c(F)c3[O-])C2)C1=O ZINC001233079947 943486918 /nfs/dbraw/zinc/48/69/18/943486918.db2.gz OFCKSAWVCNRRRZ-UHFFFAOYSA-N -1 3 282.290 1.335 20 10 CDCDHM CCOc1ccc(C[NH2+][C@@H](CC)C(=O)[O-])c([O-])c1 ZINC001326502194 954411290 /nfs/dbraw/zinc/41/12/90/954411290.db2.gz TUDUEUZOHJAIQZ-NSHDSACASA-N -1 3 253.298 1.744 20 10 CDCDHM Cc1ncc(C(=O)NCc2c([O-])cccc2F)c(N)n1 ZINC001303875729 956129891 /nfs/dbraw/zinc/12/98/91/956129891.db2.gz MNNAIPXLQKASLI-UHFFFAOYSA-N -1 3 276.271 1.142 20 10 CDCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])CC(=O)N1C ZINC001308716297 956567208 /nfs/dbraw/zinc/56/72/08/956567208.db2.gz UZEJTFXQKKQHLD-VIFPVBQESA-N -1 3 268.744 1.708 20 10 CDCDHM C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000235309318 960407696 /nfs/dbraw/zinc/40/76/96/960407696.db2.gz LHXRMUYDOFDPCQ-KCJUWKMLSA-N -1 3 253.273 1.826 20 10 CDCDHM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000235309318 960407702 /nfs/dbraw/zinc/40/77/02/960407702.db2.gz LHXRMUYDOFDPCQ-KCJUWKMLSA-N -1 3 253.273 1.826 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@H]2C(=O)NCC[C@H]2C)c1[O-] ZINC000193595810 342565924 /nfs/dbraw/zinc/56/59/24/342565924.db2.gz OHZHRYGKFSEKJS-AMIZOPFISA-N -1 3 294.326 1.348 20 10 CDCDHM [O-]c1ccc(F)cc1CN(CCO)Cc1cccnc1 ZINC000180073915 357241972 /nfs/dbraw/zinc/24/19/72/357241972.db2.gz UPYSQAFHVOJZST-UHFFFAOYSA-N -1 3 276.311 1.921 20 10 CDCDHM Cn1cc(CCCNC(=O)c2cccc(O)c2[O-])cn1 ZINC000188367955 357886989 /nfs/dbraw/zinc/88/69/89/357886989.db2.gz KNTUCJLDXCIMJF-UHFFFAOYSA-N -1 3 275.308 1.194 20 10 CDCDHM Cc1nn(C)cc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000193014449 358258268 /nfs/dbraw/zinc/25/82/68/358258268.db2.gz BDYLJHFAGJFJRQ-QMMMGPOBSA-N -1 3 275.308 1.631 20 10 CDCDHM Cc1ccc(C(=O)NO[C@@H]2CCCCO2)c([O-])c1O ZINC000267608073 363856776 /nfs/dbraw/zinc/85/67/76/363856776.db2.gz QTXKDXWOWSSSSM-SNVBAGLBSA-N -1 3 267.281 1.594 20 10 CDCDHM NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000272312769 365184613 /nfs/dbraw/zinc/18/46/13/365184613.db2.gz RVZKXYVLUOUJPE-NSHDSACASA-N -1 3 252.289 1.371 20 10 CDCDHM COCCCOCCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272997953 365462221 /nfs/dbraw/zinc/46/22/21/365462221.db2.gz NZKQGSGSSMNVJM-UHFFFAOYSA-N -1 3 297.351 1.531 20 10 CDCDHM C[C@H](O)CN1CCN(Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000281129850 367593578 /nfs/dbraw/zinc/59/35/78/367593578.db2.gz YEKPLKSSWVHKDE-NEPJUHHUSA-N -1 3 298.814 1.933 20 10 CDCDHM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000286066288 368690430 /nfs/dbraw/zinc/69/04/30/368690430.db2.gz MDNWLCKXOHQNEO-DTWKUNHWSA-N -1 3 281.308 1.415 20 10 CDCDHM C[C@@H](NCCS(C)(=O)=O)c1ccc(F)c(F)c1[O-] ZINC000187677117 296126580 /nfs/dbraw/zinc/12/65/80/296126580.db2.gz UWHCHRRWGHOPIH-SSDOTTSWSA-N -1 3 279.308 1.366 20 10 CDCDHM CCC(=O)N1CC[C@@H](NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182810844 391244914 /nfs/dbraw/zinc/24/49/14/391244914.db2.gz BSSZHVSWDVTDRD-SNVBAGLBSA-N -1 3 292.335 1.147 20 10 CDCDHM COc1c([O-])c(CN(C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000291063863 391632728 /nfs/dbraw/zinc/63/27/28/391632728.db2.gz KILQZGAMMVDRHQ-QMMMGPOBSA-N -1 3 270.285 1.122 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1c1ccco1 ZINC000376555653 267994779 /nfs/dbraw/zinc/99/47/79/267994779.db2.gz IUYVJMKJKOMTAL-NSHDSACASA-N -1 3 289.287 1.905 20 10 CDCDHM CCCOc1ccc([C@H]2NC(=O)[C@@H]3COCCN32)c([O-])c1 ZINC000093884781 278847295 /nfs/dbraw/zinc/84/72/95/278847295.db2.gz RLGNEYMROWSZJY-JSGCOSHPSA-N -1 3 292.335 1.010 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCc3n[nH]cc3C2)c([O-])c1O ZINC000182445343 329239393 /nfs/dbraw/zinc/23/93/93/329239393.db2.gz UBHATOUFVYHIBF-JTQLQIEISA-N -1 3 287.319 1.417 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccco2)C1 ZINC000193130558 329437740 /nfs/dbraw/zinc/43/77/40/329437740.db2.gz MPODYHZNVPDYHI-CYBMUJFWSA-N -1 3 289.287 1.905 20 10 CDCDHM CC(C)(CCCO)CNC(=O)c1cccc(O)c1[O-] ZINC000229417083 333304811 /nfs/dbraw/zinc/30/48/11/333304811.db2.gz CFKMKTSLFUJXSN-UHFFFAOYSA-N -1 3 267.325 1.626 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](F)[C@H](O)C1 ZINC001142509031 1160688683 /nfs/dbraw/zinc/68/86/83/1160688683.db2.gz URKLVHMUEPGVFN-QPUJVOFHSA-N -1 3 261.243 1.575 20 10 CDCDHM CCCOc1ccc(CN(CC)CC(N)=O)c([O-])c1 ZINC000188466588 520346382 /nfs/dbraw/zinc/34/63/82/520346382.db2.gz VSEASRPZYYPYOL-UHFFFAOYSA-N -1 3 266.341 1.488 20 10 CDCDHM CCCOc1ccc(CN2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000280375982 520349818 /nfs/dbraw/zinc/34/98/18/520349818.db2.gz DYBOKKRTHRKDDR-UHFFFAOYSA-N -1 3 290.363 1.945 20 10 CDCDHM CCC[C@](C)(NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000271335606 521283924 /nfs/dbraw/zinc/28/39/24/521283924.db2.gz ZMUXQJSDWNKBKX-HNNXBMFYSA-N -1 3 295.335 1.868 20 10 CDCDHM CCC(O)(CC)CNC(=O)c1cccc(O)c1[O-] ZINC000126623707 521655217 /nfs/dbraw/zinc/65/52/17/521655217.db2.gz OMNHQGRYLBXUJC-UHFFFAOYSA-N -1 3 253.298 1.379 20 10 CDCDHM COC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126250532 522702722 /nfs/dbraw/zinc/70/27/22/522702722.db2.gz OCZPVWQDSQQLFH-UHFFFAOYSA-N -1 3 251.282 1.349 20 10 CDCDHM COC(=O)[C@@H](N(C)Cc1ccccc1[O-])C1(OC)CCC1 ZINC000290042011 523597894 /nfs/dbraw/zinc/59/78/94/523597894.db2.gz OCAJXRFSQNFZGT-CQSZACIVSA-N -1 3 293.363 1.935 20 10 CDCDHM C[C@H]1CCCN(CCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276627398 524090472 /nfs/dbraw/zinc/09/04/72/524090472.db2.gz SAEFFSUCKZVIRJ-JTQLQIEISA-N -1 3 296.342 1.699 20 10 CDCDHM C[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000075414633 524113693 /nfs/dbraw/zinc/11/36/93/524113693.db2.gz JDGRDVWIVVYKQW-VIFPVBQESA-N -1 3 298.364 1.388 20 10 CDCDHM C[C@H]1c2nncn2CCN1Cc1cc(F)ccc1[O-] ZINC000276868203 525135174 /nfs/dbraw/zinc/13/51/74/525135174.db2.gz YCOPWSQHZCKPTD-VIFPVBQESA-N -1 3 262.288 1.700 20 10 CDCDHM O=C(NO[C@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000274985210 526851828 /nfs/dbraw/zinc/85/18/28/526851828.db2.gz QOPVCBAJXONXED-JTQLQIEISA-N -1 3 253.254 1.286 20 10 CDCDHM CC[C@@H](C)NC(=O)CCNC(=O)c1cc([O-])cs1 ZINC000731870836 575067346 /nfs/dbraw/zinc/06/73/46/575067346.db2.gz ZGORTDMLFPGWGY-MRVPVSSYSA-N -1 3 270.354 1.488 20 10 CDCDHM Cn1cnnc1C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732269840 575085171 /nfs/dbraw/zinc/08/51/71/575085171.db2.gz YYQCIMFUIREPTQ-UHFFFAOYSA-N -1 3 292.364 1.602 20 10 CDCDHM CCCN(CC(=O)NC)C(=O)c1cc([O-])cs1 ZINC000732275852 575085794 /nfs/dbraw/zinc/08/57/94/575085794.db2.gz PRTARWQRPXQNBO-UHFFFAOYSA-N -1 3 256.327 1.052 20 10 CDCDHM NC(=O)CC[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732284515 575086842 /nfs/dbraw/zinc/08/68/42/575086842.db2.gz UVIRHIRPBUIZME-VIFPVBQESA-N -1 3 282.365 1.571 20 10 CDCDHM CCN1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000768137560 575123353 /nfs/dbraw/zinc/12/33/53/575123353.db2.gz IPKYCANIQGHMMR-UHFFFAOYSA-N -1 3 250.342 1.538 20 10 CDCDHM CC(C)N1CC[C@H](NC(=O)c2cc([O-])cs2)C1=O ZINC000734176684 575160173 /nfs/dbraw/zinc/16/01/73/575160173.db2.gz HGGJZDJTUDBFPH-VIFPVBQESA-N -1 3 268.338 1.193 20 10 CDCDHM COC(=O)C1(NC(=O)c2ccc(C)c(O)c2[O-])CCCC1 ZINC000770486555 575455380 /nfs/dbraw/zinc/45/53/80/575455380.db2.gz LTQFAXIMKRDXHY-UHFFFAOYSA-N -1 3 293.319 1.622 20 10 CDCDHM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cc([O-])cs1 ZINC000771419981 575578324 /nfs/dbraw/zinc/57/83/24/575578324.db2.gz ULAXOFDSVPXUKS-TVQRCGJNSA-N -1 3 283.349 1.522 20 10 CDCDHM CN(Cc1c([O-])ccc2ccncc21)[C@H]1CCN(C)C1=O ZINC000738271911 576055560 /nfs/dbraw/zinc/05/55/60/576055560.db2.gz GWEWDYSNNPMEBQ-AWEZNQCLSA-N -1 3 285.347 1.603 20 10 CDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H](C)CO1 ZINC000768441755 576283367 /nfs/dbraw/zinc/28/33/67/576283367.db2.gz MHPBIVSSHMAISA-GPCCPHFNSA-N -1 3 279.336 1.427 20 10 CDCDHM NC(=O)[C@H](NC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000768732468 576305301 /nfs/dbraw/zinc/30/53/01/576305301.db2.gz LTWMHRZZMXTQEA-LLVKDONJSA-N -1 3 294.307 1.549 20 10 CDCDHM COc1cc(Cl)cc(CN(C)[C@@H]2CCNC2=O)c1[O-] ZINC000761205086 576559146 /nfs/dbraw/zinc/55/91/46/576559146.db2.gz QDRSYYXSTLXBJY-SNVBAGLBSA-N -1 3 284.743 1.375 20 10 CDCDHM COc1cccc([O-])c1CN1CC[C@@H](C)[S@](=O)CC1 ZINC000763494457 576739516 /nfs/dbraw/zinc/73/95/16/576739516.db2.gz ULDVKUKGRKSJIP-NSPYISDASA-N -1 3 283.393 1.744 20 10 CDCDHM CCOc1ccc(CN2CC[S@](=O)C[C@H](C)C2)c([O-])c1 ZINC000763650793 576745619 /nfs/dbraw/zinc/74/56/19/576745619.db2.gz ZSUFWAZFAXNCCX-ODXCJYRJSA-N -1 3 297.420 1.991 20 10 CDCDHM COc1cccc([O-])c1CN1CCS(=O)(=O)C[C@H](C)C1 ZINC000763674780 576747315 /nfs/dbraw/zinc/74/73/15/576747315.db2.gz ZCJGCXNJBNSZCX-LLVKDONJSA-N -1 3 299.392 1.267 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(C2CCOCC2)CC1 ZINC000747513424 576873349 /nfs/dbraw/zinc/87/33/49/576873349.db2.gz AYKYVIOJALNXAX-UHFFFAOYSA-N -1 3 296.392 1.391 20 10 CDCDHM O=C(NCc1cccc(F)n1)c1cc([O-])cs1 ZINC000749298618 576942561 /nfs/dbraw/zinc/94/25/61/576942561.db2.gz PYQARVSQLNXSMZ-UHFFFAOYSA-N -1 3 252.270 1.918 20 10 CDCDHM CC(C)NC(=O)CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756364862 576987159 /nfs/dbraw/zinc/98/71/59/576987159.db2.gz WJAQEFSYDJSHLT-MRVPVSSYSA-N -1 3 272.295 1.846 20 10 CDCDHM C[C@@H](N[C@H]1CCCN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756639100 576998291 /nfs/dbraw/zinc/99/82/91/576998291.db2.gz WUSJWYUKTVJSSW-PELKAZGASA-N -1 3 284.306 1.942 20 10 CDCDHM C[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])C(=O)N(C)C ZINC000756740411 577002435 /nfs/dbraw/zinc/00/24/35/577002435.db2.gz VRBOIMBYSCLNBB-HTQZYQBOSA-N -1 3 272.295 1.798 20 10 CDCDHM CN(C)S(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901962217 618402966 /nfs/dbraw/zinc/40/29/66/618402966.db2.gz CREAOCIUBISEGB-UHFFFAOYSA-N -1 3 268.697 1.403 20 10 CDCDHM COC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000889172322 619270355 /nfs/dbraw/zinc/27/03/55/619270355.db2.gz OXVFLRRXPJXTNB-NSHDSACASA-N -1 3 295.335 1.805 20 10 CDCDHM C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339336 1163157456 /nfs/dbraw/zinc/15/74/56/1163157456.db2.gz XIHYBTBTSXPLTF-VHSXEESVSA-N -1 3 265.309 1.778 20 10 CDCDHM O=C([O-])c1cc(CNCc2ccc3c(c2)CCO3)c[nH]1 ZINC001608843752 1164660878 /nfs/dbraw/zinc/66/08/78/1164660878.db2.gz ZHCLXWKTVZKHME-UHFFFAOYSA-N -1 3 272.304 1.938 20 10 CDCDHM CC[C@@H]([NH2+]C/C=C\CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467358 1173419843 /nfs/dbraw/zinc/41/98/43/1173419843.db2.gz PSVBLJFCMNRJTO-VSQXVHSFSA-N -1 3 289.339 1.162 20 10 CDCDHM Oc1cccc2c1CN(c1ncccc1-c1nnn[n-]1)C2 ZINC001593540088 1174113110 /nfs/dbraw/zinc/11/31/10/1174113110.db2.gz NUKLIMVKHKICOK-UHFFFAOYSA-N -1 3 280.291 1.488 20 10 CDCDHM Oc1cccc2c1CN(c1ncccc1-c1nn[n-]n1)C2 ZINC001593540088 1174113117 /nfs/dbraw/zinc/11/31/17/1174113117.db2.gz NUKLIMVKHKICOK-UHFFFAOYSA-N -1 3 280.291 1.488 20 10 CDCDHM CCN(C)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000830185000 783116983 /nfs/dbraw/zinc/11/69/83/783116983.db2.gz UBFIAETWEWEHCO-UHFFFAOYSA-N -1 3 266.269 1.279 20 10 CDCDHM CN(CCc1cnccn1)C(=O)c1cccc(O)c1[O-] ZINC000790912823 780805863 /nfs/dbraw/zinc/80/58/63/780805863.db2.gz VFUCTFUSRHIHIA-UHFFFAOYSA-N -1 3 273.292 1.203 20 10 CDCDHM O=C1CC[C@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC000211586930 781164797 /nfs/dbraw/zinc/16/47/97/781164797.db2.gz ZJJYOASEWOVFGR-JTQLQIEISA-N -1 3 280.755 1.852 20 10 CDCDHM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000790917021 781810054 /nfs/dbraw/zinc/81/00/54/781810054.db2.gz YDTKAILBLKZMKF-OXHMUOHRSA-N -1 3 279.336 1.887 20 10 CDCDHM COC1([C@H](C)NC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000817703311 783300855 /nfs/dbraw/zinc/30/08/55/783300855.db2.gz OGPZMBBPJCROPW-JTQLQIEISA-N -1 3 295.335 1.412 20 10 CDCDHM COC(=O)C1(O)CCN(Cc2c([O-])cccc2F)CC1 ZINC001137841554 936420554 /nfs/dbraw/zinc/42/05/54/936420554.db2.gz JMTKBYRWAMOYNY-UHFFFAOYSA-N -1 3 283.299 1.031 20 10 CDCDHM C[C@@H]1CN(C2CN(Cc3cccc(F)c3[O-])C2)C[C@H](C)O1 ZINC001138130570 936475582 /nfs/dbraw/zinc/47/55/82/936475582.db2.gz CTGMSABKUVTYJR-TXEJJXNPSA-N -1 3 294.370 1.825 20 10 CDCDHM CCN1CCN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H]1C ZINC000827311183 936586527 /nfs/dbraw/zinc/58/65/27/936586527.db2.gz WPAGCIFNLPAPMJ-VIFPVBQESA-N -1 3 282.315 1.403 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140461234 936711933 /nfs/dbraw/zinc/71/19/33/936711933.db2.gz HQTGYYCSVDJKNV-LBPRGKRZSA-N -1 3 285.727 1.419 20 10 CDCDHM COC[C@@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001140464225 936712435 /nfs/dbraw/zinc/71/24/35/936712435.db2.gz HNDDIIJACVFELR-GFCCVEGCSA-N -1 3 271.744 1.893 20 10 CDCDHM C[C@H](Cc1cnn(C)c1)NC(=O)c1cccc(O)c1[O-] ZINC000836980316 936814647 /nfs/dbraw/zinc/81/46/47/936814647.db2.gz QPQUFSZZXXIHEZ-SECBINFHSA-N -1 3 275.308 1.192 20 10 CDCDHM CC(=O)N(C)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530962 937028470 /nfs/dbraw/zinc/02/84/70/937028470.db2.gz MTDVTVVUKMWKPZ-LLVKDONJSA-N -1 3 284.306 1.723 20 10 CDCDHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc(N(C)C)cc1 ZINC000860950292 929224669 /nfs/dbraw/zinc/22/46/69/929224669.db2.gz LCICLSLYKUYJLM-JTQLQIEISA-N -1 3 286.335 1.739 20 10 CDCDHM CCc1ccnc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000798064582 937345603 /nfs/dbraw/zinc/34/56/03/937345603.db2.gz YCKGNHUKCVKMNX-UHFFFAOYSA-N -1 3 272.304 1.985 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1noc(C(F)F)n1 ZINC000819573532 930819543 /nfs/dbraw/zinc/81/95/43/930819543.db2.gz QRNHGXXSNXJSFC-RXMQYKEDSA-N -1 3 299.233 1.909 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(F)(F)CC[C@H]1CO ZINC001148211942 932666916 /nfs/dbraw/zinc/66/69/16/932666916.db2.gz DMCZSPGTNAXBQK-QMMMGPOBSA-N -1 3 287.262 1.330 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCC(=O)[C@@H](F)C1 ZINC001148212194 932667911 /nfs/dbraw/zinc/66/79/11/932667911.db2.gz QGTLORQOJASCGW-VIFPVBQESA-N -1 3 267.256 1.241 20 10 CDCDHM COc1cnc(Cl)c(NC(=O)c2cccc(O)c2[O-])n1 ZINC001148212406 932667979 /nfs/dbraw/zinc/66/79/79/932667979.db2.gz YTJCFENPQWLRJH-UHFFFAOYSA-N -1 3 295.682 1.802 20 10 CDCDHM O=C(Nc1ccc2c(c1)CCNC2=O)c1cccc(O)c1[O-] ZINC001148218510 932669941 /nfs/dbraw/zinc/66/99/41/932669941.db2.gz CJWHRWKXJPIXJD-UHFFFAOYSA-N -1 3 298.298 1.636 20 10 CDCDHM COCC1C[NH+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447990 942894871 /nfs/dbraw/zinc/89/48/71/942894871.db2.gz ZTVTZXNIUTVNKC-UHFFFAOYSA-N -1 3 251.282 1.169 20 10 CDCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCO[C@H](CO)C1 ZINC001233452326 943588020 /nfs/dbraw/zinc/58/80/20/943588020.db2.gz RPELJRUANJEAGK-NSHDSACASA-N -1 3 291.269 1.604 20 10 CDCDHM COc1cc([O-])c(CN2CC3(COC3)C2)c(Cl)c1 ZINC001236798332 944570090 /nfs/dbraw/zinc/57/00/90/944570090.db2.gz NILALXWUOBKNFC-UHFFFAOYSA-N -1 3 269.728 1.886 20 10 CDCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H](O)[C@H](CO)C1 ZINC001237935186 945011085 /nfs/dbraw/zinc/01/10/85/945011085.db2.gz RAOLDPFPELUUKD-JOYOIKCWSA-N -1 3 289.734 1.360 20 10 CDCDHM Cc1nnc([C@H](C)NC(=O)NCc2c([O-])cccc2F)o1 ZINC001313430748 956851342 /nfs/dbraw/zinc/85/13/42/956851342.db2.gz ZUQNIKCSSCGSCJ-ZETCQYMHSA-N -1 3 294.286 1.783 20 10 CDCDHM C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218553 994287968 /nfs/dbraw/zinc/28/79/68/994287968.db2.gz GUHWJLWFEADPGU-ZEGGKSINSA-N -1 3 279.336 1.900 20 10 CDCDHM CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001598640423 994310196 /nfs/dbraw/zinc/31/01/96/994310196.db2.gz XULYLCCBJHQQKS-BDAKNGLRSA-N -1 3 280.324 1.266 20 10 CDCDHM C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593360478 995023443 /nfs/dbraw/zinc/02/34/43/995023443.db2.gz RXARYTIPDFRNKW-QNSHHTMESA-N -1 3 278.308 1.005 20 10 CDCDHM CON(C)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599316750 997515634 /nfs/dbraw/zinc/51/56/34/997515634.db2.gz PRORZECWHRXFST-VIFPVBQESA-N -1 3 268.313 1.234 20 10 CDCDHM Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1[O-] ZINC000180727002 357286592 /nfs/dbraw/zinc/28/65/92/357286592.db2.gz HTIKETYDZDXWSW-BXKDBHETSA-N -1 3 298.770 1.429 20 10 CDCDHM C[C@H]([C@H](C)N(C)Cc1cc(F)ccc1[O-])S(C)(=O)=O ZINC000180159562 357248173 /nfs/dbraw/zinc/24/81/73/357248173.db2.gz MLJJAFRGQNYEMK-VHSXEESVSA-N -1 3 289.372 1.785 20 10 CDCDHM CC(C)[C@H](CCO)NC(=O)c1cccc(O)c1[O-] ZINC000230107639 360243411 /nfs/dbraw/zinc/24/34/11/360243411.db2.gz LWNJFZDGMGUESA-JTQLQIEISA-N -1 3 253.298 1.235 20 10 CDCDHM COc1cc([O-])c([C@@H]2NC(=O)CN2CC(C)C)cc1OC ZINC000271052518 364893587 /nfs/dbraw/zinc/89/35/87/364893587.db2.gz QLWDUSXOVJIKDV-OAHLLOKOSA-N -1 3 294.351 1.496 20 10 CDCDHM COC(=O)CCN(C(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000271284294 364980152 /nfs/dbraw/zinc/98/01/52/364980152.db2.gz OQFNJZRDTLRCSV-UHFFFAOYSA-N -1 3 295.335 1.820 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cnn(C)c2)c1 ZINC000273432749 365494371 /nfs/dbraw/zinc/49/43/71/365494371.db2.gz WGTNQWAFQGMLMU-JTQLQIEISA-N -1 3 289.335 1.763 20 10 CDCDHM COC(=O)[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000281464597 367642978 /nfs/dbraw/zinc/64/29/78/367642978.db2.gz CEEZPNKOWGXATP-QMMMGPOBSA-N -1 3 267.281 1.040 20 10 CDCDHM CN1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294890454 371102144 /nfs/dbraw/zinc/10/21/44/371102144.db2.gz QVBTXAOZQHGFLG-MRVPVSSYSA-N -1 3 268.288 1.061 20 10 CDCDHM COC[C@]1(C)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000296356428 371723759 /nfs/dbraw/zinc/72/37/59/371723759.db2.gz FIGASQNEKHBLHY-OAHLLOKOSA-N -1 3 279.336 1.905 20 10 CDCDHM Cc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)c([O-])c1O ZINC000177670508 391173700 /nfs/dbraw/zinc/17/37/00/391173700.db2.gz OBMDQPUJPJUOEF-UWVGGRQHSA-N -1 3 265.309 1.656 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@H]2C2CC2)c([O-])c1O ZINC000182945700 391247050 /nfs/dbraw/zinc/24/70/50/391247050.db2.gz XBTBIEZTGDONFE-LBPRGKRZSA-N -1 3 277.320 1.657 20 10 CDCDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000276885446 328219849 /nfs/dbraw/zinc/21/98/49/328219849.db2.gz GQENYVDEKDBZGY-PRHODGIISA-N -1 3 297.305 1.788 20 10 CDCDHM COC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCO1 ZINC000278591113 522361250 /nfs/dbraw/zinc/36/12/50/522361250.db2.gz GYEMRFQJSCGUCX-OCCSQVGLSA-N -1 3 296.323 1.584 20 10 CDCDHM COCC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000128702765 522748982 /nfs/dbraw/zinc/74/89/82/522748982.db2.gz OCZRRHVXFHBKBP-UHFFFAOYSA-N -1 3 298.770 1.336 20 10 CDCDHM COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000276258260 523632410 /nfs/dbraw/zinc/63/24/10/523632410.db2.gz AQALJKZIJWIGGH-ZDUSSCGKSA-N -1 3 295.310 1.775 20 10 CDCDHM C[C@@H](O)CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000276347563 525797517 /nfs/dbraw/zinc/79/75/17/525797517.db2.gz ZOJAHXVUFZOPRZ-LLVKDONJSA-N -1 3 284.787 1.544 20 10 CDCDHM O=C(NC[C@H](CO)Cc1ccco1)c1cc([O-])cs1 ZINC000761122752 574933450 /nfs/dbraw/zinc/93/34/50/574933450.db2.gz WYOZOIGCXDXGDA-SECBINFHSA-N -1 3 281.333 1.628 20 10 CDCDHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000731871229 575067129 /nfs/dbraw/zinc/06/71/29/575067129.db2.gz HEUKJROZJIGEQT-JGVFFNPUSA-N -1 3 270.354 1.487 20 10 CDCDHM CC1CCN(C(=O)COC(=O)c2cc([O-])cs2)CC1 ZINC000731909568 575070105 /nfs/dbraw/zinc/07/01/05/575070105.db2.gz FDGBUKJBTDCJTO-UHFFFAOYSA-N -1 3 283.349 1.869 20 10 CDCDHM CCCCCNC(=O)COC(=O)c1cc([O-])cs1 ZINC000731912212 575070300 /nfs/dbraw/zinc/07/03/00/575070300.db2.gz QOQUPGFMEVCTAH-UHFFFAOYSA-N -1 3 271.338 1.917 20 10 CDCDHM O=C(NCCOC[C@@H]1CCCO1)c1cc([O-])cs1 ZINC000734552597 575358033 /nfs/dbraw/zinc/35/80/33/575358033.db2.gz HNNFLEUJZDGQHS-JTQLQIEISA-N -1 3 271.338 1.379 20 10 CDCDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc([O-])cs1 ZINC000736710372 575726468 /nfs/dbraw/zinc/72/64/68/575726468.db2.gz OUELCSHLJOURLV-SFYZADRCSA-N -1 3 289.378 1.101 20 10 CDCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1cnn(C)c1 ZINC000743503180 576643377 /nfs/dbraw/zinc/64/33/77/576643377.db2.gz PWLMBBOYZIENTR-ZETCQYMHSA-N -1 3 251.311 1.678 20 10 CDCDHM Cc1nn(C)c(C)c1CNC(=O)c1cc([O-])cs1 ZINC000743780530 576654493 /nfs/dbraw/zinc/65/44/93/576654493.db2.gz OMVKGMVLXOBPJV-UHFFFAOYSA-N -1 3 265.338 1.734 20 10 CDCDHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(F)cc(F)c1[O-] ZINC000894536529 618954760 /nfs/dbraw/zinc/95/47/60/618954760.db2.gz AFIPUCDRUGJVKE-DYLAAIIWSA-N -1 3 296.317 1.756 20 10 CDCDHM Cn1nccc1[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000897562908 620997647 /nfs/dbraw/zinc/99/76/47/620997647.db2.gz HWMQYAPMJUMZRZ-OAHLLOKOSA-N -1 3 291.326 1.838 20 10 CDCDHM CCO[C@H]1COCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790933734 1162176499 /nfs/dbraw/zinc/17/64/99/1162176499.db2.gz XYGJNPLKLPKOBK-PWSUYJOCSA-N -1 3 281.308 1.022 20 10 CDCDHM COc1ccc(C[NH2+][C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)c([O-])c1 ZINC001607260014 1164138101 /nfs/dbraw/zinc/13/81/01/1164138101.db2.gz LXLNXFPPXSCFAD-CDGCEXEKSA-N -1 3 291.347 1.990 20 10 CDCDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)NCc1ccccc1O ZINC001591782704 1173702494 /nfs/dbraw/zinc/70/24/94/1173702494.db2.gz JFFZCDBCLAEBGJ-UHFFFAOYSA-N -1 3 298.306 1.139 20 10 CDCDHM CC[C@H]([NH2+]CCOC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604052961 1175735182 /nfs/dbraw/zinc/73/51/82/1175735182.db2.gz ADXZAULXJDLGGT-NSHDSACASA-N -1 3 277.328 1.259 20 10 CDCDHM CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609707044 1165050465 /nfs/dbraw/zinc/05/04/65/1165050465.db2.gz GKGUHHKDTWCJIV-SNVBAGLBSA-N -1 3 294.351 1.656 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000131704733 919976872 /nfs/dbraw/zinc/97/68/72/919976872.db2.gz RSFPLXTYWLCNJE-GFCCVEGCSA-N -1 3 285.727 1.419 20 10 CDCDHM CN(C)C(=O)CCN(C)Cc1c(F)ccc(F)c1[O-] ZINC001139685981 936635437 /nfs/dbraw/zinc/63/54/37/936635437.db2.gz IGWNPNCCYGQDRC-UHFFFAOYSA-N -1 3 272.295 1.581 20 10 CDCDHM Cc1cc([O-])c(CNCc2nnnn2C2CC2)cc1Cl ZINC000825319782 920518541 /nfs/dbraw/zinc/51/85/41/920518541.db2.gz BPRNMRBVQRXRBI-UHFFFAOYSA-N -1 3 293.758 1.965 20 10 CDCDHM COC(=O)CN1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466217 936712817 /nfs/dbraw/zinc/71/28/17/936712817.db2.gz BNQWYEBOOKNGMY-UHFFFAOYSA-N -1 3 298.770 1.336 20 10 CDCDHM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C(C)C ZINC001252514502 928864428 /nfs/dbraw/zinc/86/44/28/928864428.db2.gz WRJPEWSKQJUHDV-UHFFFAOYSA-N -1 3 273.310 1.329 20 10 CDCDHM O=C(NCc1nc(C2CC2)no1)c1cccc(O)c1[O-] ZINC000786800986 929275295 /nfs/dbraw/zinc/27/52/95/929275295.db2.gz XPGMKIBEBOTDTJ-UHFFFAOYSA-N -1 3 275.264 1.288 20 10 CDCDHM CN1CC[C@@]2(CCCN2Cc2c([O-])ccc(F)c2F)C1=O ZINC001274149078 931201183 /nfs/dbraw/zinc/20/11/83/931201183.db2.gz JBFZQUSBMUEJFE-HNNXBMFYSA-N -1 3 296.317 1.867 20 10 CDCDHM Cc1cc([O-])c(CN2CCN3C(=O)NC[C@@H]3C2)cc1Cl ZINC000824920346 931486375 /nfs/dbraw/zinc/48/63/75/931486375.db2.gz KUAKTZGJCGRWQP-LLVKDONJSA-N -1 3 295.770 1.563 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1C1CCC1 ZINC000844036225 931532250 /nfs/dbraw/zinc/53/22/50/931532250.db2.gz GZALLKKYQNJNIR-GFCCVEGCSA-N -1 3 277.320 1.739 20 10 CDCDHM O=C(Nc1cn[nH]c(=O)c1Cl)c1cccc(O)c1[O-] ZINC001148211881 932666732 /nfs/dbraw/zinc/66/67/32/932666732.db2.gz AQPMNIIEGNTAAH-UHFFFAOYSA-N -1 3 281.655 1.499 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1Cc2cncnc2C1 ZINC001148212560 932667942 /nfs/dbraw/zinc/66/79/42/932667942.db2.gz DORIKAHNXNSSRB-UHFFFAOYSA-N -1 3 257.249 1.044 20 10 CDCDHM Cn1ncc2c1ncnc2NC(=O)c1cccc(O)c1[O-] ZINC001148212740 932668086 /nfs/dbraw/zinc/66/80/86/932668086.db2.gz JPIUCBNYRLLJFH-UHFFFAOYSA-N -1 3 285.263 1.027 20 10 CDCDHM COC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C ZINC001148218420 932669767 /nfs/dbraw/zinc/66/97/67/932669767.db2.gz CDEFSFDUTUAYQU-NXEZZACHSA-N -1 3 293.319 1.512 20 10 CDCDHM O=C(NCOc1ccccc1)c1cccc(O)c1[O-] ZINC001148224463 932672599 /nfs/dbraw/zinc/67/25/99/932672599.db2.gz MJQMEZJHDJCVSW-UHFFFAOYSA-N -1 3 259.261 1.864 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCn2cccc2C1 ZINC001148584885 932753235 /nfs/dbraw/zinc/75/32/35/932753235.db2.gz YTALYKDKCVYRFT-UHFFFAOYSA-N -1 3 274.276 1.261 20 10 CDCDHM O=C(NCCCNc1ccccn1)c1cccc(O)c1[O-] ZINC000187553840 934337475 /nfs/dbraw/zinc/33/74/75/934337475.db2.gz BHAALIPWFREZDL-UHFFFAOYSA-N -1 3 287.319 1.725 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)[C@H](O)c1ccccn1 ZINC001156170066 938327243 /nfs/dbraw/zinc/32/72/43/938327243.db2.gz FBRSLHGJBOSQGR-CYBMUJFWSA-N -1 3 276.267 1.276 20 10 CDCDHM N#CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203648594 939699638 /nfs/dbraw/zinc/69/96/38/939699638.db2.gz NBIOVAJUVIWIGC-UHFFFAOYSA-N -1 3 296.168 1.753 20 10 CDCDHM CN1C[C@@H]2CN(Cc3cccc(F)c3[O-])C[C@H](C1)O2 ZINC001276537935 940210198 /nfs/dbraw/zinc/21/01/98/940210198.db2.gz QWDGETYLORSJSM-TXEJJXNPSA-N -1 3 266.316 1.046 20 10 CDCDHM O=C([O-])c1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001231450541 942894053 /nfs/dbraw/zinc/89/40/53/942894053.db2.gz SRMRDUHQRAYPMY-SRVKXCTJSA-N -1 3 265.284 1.880 20 10 CDCDHM C[C@@]1(O)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446995 942894746 /nfs/dbraw/zinc/89/47/46/942894746.db2.gz NIEBRSGJIDGGLC-CYBMUJFWSA-N -1 3 251.282 1.047 20 10 CDCDHM C[C@@]1(O)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446995 942894751 /nfs/dbraw/zinc/89/47/51/942894751.db2.gz NIEBRSGJIDGGLC-CYBMUJFWSA-N -1 3 251.282 1.047 20 10 CDCDHM CC1(CO)CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232259946 943193204 /nfs/dbraw/zinc/19/32/04/943193204.db2.gz NRKHPLMXHSVSOE-UHFFFAOYSA-N -1 3 257.717 1.565 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC(N2CCCC2)C1 ZINC001233334799 943549069 /nfs/dbraw/zinc/54/90/69/943549069.db2.gz UHJANZNBKQEONR-UHFFFAOYSA-N -1 3 268.307 1.950 20 10 CDCDHM [O-]c1c(CN2CCOC[C@@H](O)C2)cccc1C(F)(F)F ZINC001233415565 943579644 /nfs/dbraw/zinc/57/96/44/943579644.db2.gz AVVLTDXFLHKOMP-JTQLQIEISA-N -1 3 291.269 1.604 20 10 CDCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H](O)[C@@H](CO)C1 ZINC001237076932 944652678 /nfs/dbraw/zinc/65/26/78/944652678.db2.gz AWSRWLDSGDUJJD-HQJQHLMTSA-N -1 3 292.162 1.484 20 10 CDCDHM CN1CCN(Cc2cccc(F)c2[O-])CCC1=O ZINC000827359874 954040223 /nfs/dbraw/zinc/04/02/23/954040223.db2.gz UVPPWBQCRVMTRZ-UHFFFAOYSA-N -1 3 252.289 1.195 20 10 CDCDHM O=C(Nc1ccnn1C1CC1)c1cccc(O)c1[O-] ZINC001305169531 956245755 /nfs/dbraw/zinc/24/57/55/956245755.db2.gz XBJYYYFSCGBIAK-UHFFFAOYSA-N -1 3 259.265 1.882 20 10 CDCDHM CC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H](C)O ZINC001595278880 980315408 /nfs/dbraw/zinc/31/54/08/980315408.db2.gz KRVCWBPGJVDGOI-LNLATYFQSA-N -1 3 267.325 1.900 20 10 CDCDHM COC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599276593 996814285 /nfs/dbraw/zinc/81/42/85/996814285.db2.gz AJVGUJUHGRAMPK-DTWKUNHWSA-N -1 3 253.298 1.776 20 10 CDCDHM CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001599326706 997676729 /nfs/dbraw/zinc/67/67/29/997676729.db2.gz WSPKFHRYPFAIJL-FBIMIBRVSA-N -1 3 265.309 1.918 20 10 CDCDHM COC(=O)N1CC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273528114 291181453 /nfs/dbraw/zinc/18/14/53/291181453.db2.gz VUMKLJYXCFZOLJ-QMMMGPOBSA-N -1 3 295.295 1.402 20 10 CDCDHM COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000272744339 365376899 /nfs/dbraw/zinc/37/68/99/365376899.db2.gz MTAOGEDAGRCCOW-SNVBAGLBSA-N -1 3 279.292 1.088 20 10 CDCDHM C[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000188993763 296142693 /nfs/dbraw/zinc/14/26/93/296142693.db2.gz ABQMPONYKFCXAU-SFYZADRCSA-N -1 3 272.295 1.798 20 10 CDCDHM CCN(C)C(=O)CN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187925321 284280613 /nfs/dbraw/zinc/28/06/13/284280613.db2.gz BLWZNPSKFVBHLQ-QMMMGPOBSA-N -1 3 272.295 1.799 20 10 CDCDHM Cc1ccc(C(=O)N(C)C[C@@H]2CCCOC2)c([O-])c1O ZINC000182403004 391234887 /nfs/dbraw/zinc/23/48/87/391234887.db2.gz JWZHEMYVQNCWKJ-NSHDSACASA-N -1 3 279.336 1.905 20 10 CDCDHM Cc1ccc(C(=O)N2CCN(C)C(=O)C2(C)C)c([O-])c1O ZINC000182589370 391237314 /nfs/dbraw/zinc/23/73/14/391237314.db2.gz LIWGZWMSOATCPR-UHFFFAOYSA-N -1 3 292.335 1.099 20 10 CDCDHM O=C1CN(Cc2ccccc2[O-])[C@H]2CCCC[C@H]2N1 ZINC000179565392 391211904 /nfs/dbraw/zinc/21/19/04/391211904.db2.gz YWEYGBVSNFBVEF-OLZOCXBDSA-N -1 3 260.337 1.635 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276145048 285569829 /nfs/dbraw/zinc/56/98/29/285569829.db2.gz CXVJVJNPRVKORC-JGVFFNPUSA-N -1 3 272.295 1.846 20 10 CDCDHM O=C1NC[C@@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC000156064730 263044894 /nfs/dbraw/zinc/04/48/94/263044894.db2.gz RTUGGSBGXCEJCJ-SECBINFHSA-N -1 3 281.743 1.255 20 10 CDCDHM NC(=O)C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000367704551 267111278 /nfs/dbraw/zinc/11/12/78/267111278.db2.gz OVGQEILDMSDNEK-QMMMGPOBSA-N -1 3 286.734 1.882 20 10 CDCDHM CCn1nncc1CNCc1cc(F)ccc1[O-] ZINC000529639172 333502645 /nfs/dbraw/zinc/50/26/45/333502645.db2.gz OKFYMTALMFOUMR-UHFFFAOYSA-N -1 3 250.277 1.433 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCN(C)C(=O)C2)c1[O-] ZINC000084205823 518282875 /nfs/dbraw/zinc/28/28/75/518282875.db2.gz ZOHZELLFHCLJRJ-UHFFFAOYSA-N -1 3 280.299 1.008 20 10 CDCDHM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790944615 1162177505 /nfs/dbraw/zinc/17/75/05/1162177505.db2.gz CKCFFAWNKJEANV-SECBINFHSA-N -1 3 294.351 1.473 20 10 CDCDHM CS(=O)(=O)CCCNCc1c([O-])cccc1Cl ZINC000083552401 525116569 /nfs/dbraw/zinc/11/65/69/525116569.db2.gz FFPSKUCAZKZOBW-UHFFFAOYSA-N -1 3 277.773 1.570 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000750538394 574602021 /nfs/dbraw/zinc/60/20/21/574602021.db2.gz HJTTWHCXBRADLE-VHSXEESVSA-N -1 3 267.350 1.952 20 10 CDCDHM COC(=O)C[C@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000754036205 574989368 /nfs/dbraw/zinc/98/93/68/574989368.db2.gz ISIREMVMFUQBAQ-VIFPVBQESA-N -1 3 269.322 1.525 20 10 CDCDHM CC(C)CNC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000731909801 575070335 /nfs/dbraw/zinc/07/03/35/575070335.db2.gz KUQJVWBOIZXQME-QMMMGPOBSA-N -1 3 271.338 1.771 20 10 CDCDHM Cc1cc(NC(=O)COC(=O)c2cc([O-])cs2)no1 ZINC000731911201 575070474 /nfs/dbraw/zinc/07/04/74/575070474.db2.gz FYSHTTUUAHBSSJ-UHFFFAOYSA-N -1 3 282.277 1.546 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)C(=O)N1CCCC[C@@H]1C ZINC000732282342 575086632 /nfs/dbraw/zinc/08/66/32/575086632.db2.gz MKANVABJCNHXFY-VHSXEESVSA-N -1 3 296.392 1.973 20 10 CDCDHM COC(=O)C[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000770506537 575457654 /nfs/dbraw/zinc/45/76/54/575457654.db2.gz SHCPCBBYQIIELE-NSHDSACASA-N -1 3 293.319 1.478 20 10 CDCDHM O=C(Nn1cc(Br)cn1)c1cc([O-])cs1 ZINC000765089751 575985497 /nfs/dbraw/zinc/98/54/97/575985497.db2.gz XGPMCAYJSRYLTA-UHFFFAOYSA-N -1 3 288.126 1.797 20 10 CDCDHM COc1cccc([O-])c1CN1CCN2C(=O)CC[C@H]2C1 ZINC000769208077 576337625 /nfs/dbraw/zinc/33/76/25/576337625.db2.gz UNELGEGXLNEDBA-NSHDSACASA-N -1 3 276.336 1.207 20 10 CDCDHM CC(C)(C)OC(=O)N1CC(NC(=O)c2cc([O-])cs2)C1 ZINC000743417897 576639252 /nfs/dbraw/zinc/63/92/52/576639252.db2.gz QIZVLXISENVQLZ-UHFFFAOYSA-N -1 3 298.364 1.803 20 10 CDCDHM Cc1cccc(NCCNC(=O)c2cc([O-])cs2)n1 ZINC000743463665 576641281 /nfs/dbraw/zinc/64/12/81/576641281.db2.gz NEBKAMRULAXFTM-UHFFFAOYSA-N -1 3 277.349 1.999 20 10 CDCDHM COCCN(CCC(=O)OC)C(=O)c1cc([O-])cs1 ZINC000743542337 576644207 /nfs/dbraw/zinc/64/42/07/576644207.db2.gz NDBQWNCELQSBTM-UHFFFAOYSA-N -1 3 287.337 1.105 20 10 CDCDHM CCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1=O ZINC000755291009 576939064 /nfs/dbraw/zinc/93/90/64/576939064.db2.gz YNONLBMCMLHEPN-UHFFFAOYSA-N -1 3 294.326 1.398 20 10 CDCDHM NC(=O)c1cc(CNCc2c([O-])cccc2Cl)on1 ZINC000757904884 577059626 /nfs/dbraw/zinc/05/96/26/577059626.db2.gz AMAVARUCJHGPKI-UHFFFAOYSA-N -1 3 281.699 1.422 20 10 CDCDHM Cn1c(CNC(=O)c2cc([O-])cs2)nnc1C1CC1 ZINC000758562114 577117581 /nfs/dbraw/zinc/11/75/81/577117581.db2.gz DKIBMROXQPOBID-UHFFFAOYSA-N -1 3 278.337 1.390 20 10 CDCDHM C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000300436704 605479876 /nfs/dbraw/zinc/47/98/76/605479876.db2.gz PDCGDVZBSNJZLW-GZMMTYOYSA-N -1 3 253.273 1.684 20 10 CDCDHM C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000300436704 605479881 /nfs/dbraw/zinc/47/98/81/605479881.db2.gz PDCGDVZBSNJZLW-GZMMTYOYSA-N -1 3 253.273 1.684 20 10 CDCDHM CCCN(C)CC(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911484061 629299923 /nfs/dbraw/zinc/29/99/23/629299923.db2.gz LYGMRTSNPMNORO-UHFFFAOYSA-N -1 3 294.351 1.147 20 10 CDCDHM Cn1ncc2ccc(CNC(=O)c3cccc(O)c3[O-])cc21 ZINC000812581299 1163657627 /nfs/dbraw/zinc/65/76/27/1163657627.db2.gz HIYAMNTXGWEQAC-UHFFFAOYSA-N -1 3 297.314 1.915 20 10 CDCDHM C[C@@H]([NH2+]C1CCN(C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609777393 1165077905 /nfs/dbraw/zinc/07/79/05/1165077905.db2.gz LDUDSMNEGLTACY-SNVBAGLBSA-N -1 3 278.352 1.835 20 10 CDCDHM Oc1cccc(O)c1CNc1ncccc1-c1nnn[n-]1 ZINC001593540197 1174111508 /nfs/dbraw/zinc/11/15/08/1174111508.db2.gz QVUZUHFIWSRJFT-UHFFFAOYSA-N -1 3 284.279 1.285 20 10 CDCDHM Oc1cccc(O)c1CNc1ncccc1-c1nn[n-]n1 ZINC001593540197 1174111510 /nfs/dbraw/zinc/11/15/10/1174111510.db2.gz QVUZUHFIWSRJFT-UHFFFAOYSA-N -1 3 284.279 1.285 20 10 CDCDHM O=C(NC1(CO)CCCC1)c1cccc(O)c1[O-] ZINC000126617420 1175480200 /nfs/dbraw/zinc/48/02/00/1175480200.db2.gz XJMACVJZBVQSLB-UHFFFAOYSA-N -1 3 251.282 1.133 20 10 CDCDHM CC[C@H](COC)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604039106 1175729538 /nfs/dbraw/zinc/72/95/38/1175729538.db2.gz GFKQKSHILMREAU-NXEZZACHSA-N -1 3 291.355 1.648 20 10 CDCDHM COCCN(C)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610257795 1165277705 /nfs/dbraw/zinc/27/77/05/1165277705.db2.gz GNLZDTMQMGYQDB-LLVKDONJSA-N -1 3 296.367 1.319 20 10 CDCDHM C[C@@H](NCc1nnn(C)n1)c1ccc(Cl)cc1[O-] ZINC000841752176 784071319 /nfs/dbraw/zinc/07/13/19/784071319.db2.gz MUUCANXESWLMIL-SSDOTTSWSA-N -1 3 267.720 1.420 20 10 CDCDHM CN(CC1CC1)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000830184639 784668627 /nfs/dbraw/zinc/66/86/27/784668627.db2.gz LCVAODUQTMLMCH-UHFFFAOYSA-N -1 3 292.307 1.669 20 10 CDCDHM C[C@@H](C[S@](C)=O)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000708422243 785058449 /nfs/dbraw/zinc/05/84/49/785058449.db2.gz LACSQRXJUBJOQT-ASCAZGACSA-N -1 3 277.336 1.869 20 10 CDCDHM CN1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CC1=O ZINC000790954953 785585746 /nfs/dbraw/zinc/58/57/46/785585746.db2.gz HCXNCNNMVIFMNY-ZETCQYMHSA-N -1 3 272.707 1.505 20 10 CDCDHM O=C(NCCCO[C@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000839750179 785761256 /nfs/dbraw/zinc/76/12/56/785761256.db2.gz LKBQZSGCEKOVJQ-ZDUSSCGKSA-N -1 3 295.335 1.761 20 10 CDCDHM COCC[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000839811521 785864820 /nfs/dbraw/zinc/86/48/20/785864820.db2.gz QJQSKBDIEPDWSO-VIFPVBQESA-N -1 3 253.298 1.500 20 10 CDCDHM COC[C@@H](C)n1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790943042 785917308 /nfs/dbraw/zinc/91/73/08/785917308.db2.gz GSVPRDUFKHDOFY-SECBINFHSA-N -1 3 291.307 1.754 20 10 CDCDHM COC(=O)CN(C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824567705 786494100 /nfs/dbraw/zinc/49/41/00/786494100.db2.gz UJWVGNPVHSLNOH-UHFFFAOYSA-N -1 3 257.717 1.959 20 10 CDCDHM CC[C@H](NCc1nnn(C)n1)c1cc(Cl)ccc1[O-] ZINC000787042978 787069576 /nfs/dbraw/zinc/06/95/76/787069576.db2.gz QSWNPYSPJIDFST-JTQLQIEISA-N -1 3 281.747 1.810 20 10 CDCDHM C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CS1 ZINC000397873551 788083883 /nfs/dbraw/zinc/08/38/83/788083883.db2.gz UKEXBTLRYIJHGN-YUMQZZPRSA-N -1 3 253.323 1.722 20 10 CDCDHM CC(C)O[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000837726775 788350321 /nfs/dbraw/zinc/35/03/21/788350321.db2.gz SBDSRWZSZOCATF-AOOOYVTPSA-N -1 3 265.309 1.784 20 10 CDCDHM CO[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000229413210 789009162 /nfs/dbraw/zinc/00/91/62/789009162.db2.gz IGXHKEWYKVLCBC-QWRGUYRKSA-N -1 3 265.309 1.641 20 10 CDCDHM O=C(C1CC1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778995286 789310367 /nfs/dbraw/zinc/31/03/67/789310367.db2.gz QBRYFVMMEWIBPW-UHFFFAOYSA-N -1 3 278.327 1.586 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)CC(=O)N1 ZINC000862387932 789841402 /nfs/dbraw/zinc/84/14/02/789841402.db2.gz SNCVIFFRDGWPFI-MRVPVSSYSA-N -1 3 299.168 1.475 20 10 CDCDHM CN1CCO[C@H]2CN(Cc3c([O-])cccc3F)C[C@H]21 ZINC001137834695 936418257 /nfs/dbraw/zinc/41/82/57/936418257.db2.gz PVLWMRROPVSGHV-OCCSQVGLSA-N -1 3 266.316 1.046 20 10 CDCDHM [O-]c1c(F)cccc1CN1Cc2ccnn2CC[C@@H]1CO ZINC001138131124 936476980 /nfs/dbraw/zinc/47/69/80/936476980.db2.gz RBXAZOUYHXKKRJ-CYBMUJFWSA-N -1 3 291.326 1.495 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CCC(CO)CC1 ZINC001139680728 936635342 /nfs/dbraw/zinc/63/53/42/936635342.db2.gz ARYUTSNZMVPVAC-UHFFFAOYSA-N -1 3 257.280 1.875 20 10 CDCDHM CN(CCN1CCN(C)CC1)Cc1c(F)ccc(F)c1[O-] ZINC001139686070 936635516 /nfs/dbraw/zinc/63/55/16/936635516.db2.gz MGULLVWQUAXHAP-UHFFFAOYSA-N -1 3 299.365 1.350 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1C[C@H](F)C[C@H]1CO ZINC001140337863 936703094 /nfs/dbraw/zinc/70/30/94/936703094.db2.gz JWXKMEZORMBHNH-BDAKNGLRSA-N -1 3 259.708 1.950 20 10 CDCDHM CS(=O)(=O)[C@H]1CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140466949 936712402 /nfs/dbraw/zinc/71/24/02/936712402.db2.gz NIRLFRHHOZDVHB-NSHDSACASA-N -1 3 289.784 1.665 20 10 CDCDHM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCN2CC[C@H]2C1 ZINC001193613055 923806324 /nfs/dbraw/zinc/80/63/24/923806324.db2.gz YQAPXSQVHRQAJV-VIFPVBQESA-N -1 3 282.727 1.281 20 10 CDCDHM CC(=O)N(C)[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530964 937028702 /nfs/dbraw/zinc/02/87/02/937028702.db2.gz MTDVTVVUKMWKPZ-NSHDSACASA-N -1 3 284.306 1.723 20 10 CDCDHM CNC(=O)CN(C)Cc1ccc(Br)cc1[O-] ZINC000691781245 937221019 /nfs/dbraw/zinc/22/10/19/937221019.db2.gz UNTVDFYZUBNQGK-UHFFFAOYSA-N -1 3 287.157 1.333 20 10 CDCDHM Cc1ccc([C@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)nc1 ZINC001148589631 932753548 /nfs/dbraw/zinc/75/35/48/932753548.db2.gz FHRBCHFUJNZENV-VIFPVBQESA-N -1 3 288.303 1.998 20 10 CDCDHM C[C@H]1OCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000235619553 932756571 /nfs/dbraw/zinc/75/65/71/932756571.db2.gz OEQCRSJSAWDZNR-BDAKNGLRSA-N -1 3 251.282 1.253 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CC(N2CCOCC2)C1 ZINC001203657036 939699833 /nfs/dbraw/zinc/69/98/33/939699833.db2.gz CCCHZKCYPZHDLW-UHFFFAOYSA-N -1 3 282.771 1.562 20 10 CDCDHM C[C@@H]1COCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445842 942892000 /nfs/dbraw/zinc/89/20/00/942892000.db2.gz BLKWHKOCCSQGOS-JTQLQIEISA-N -1 3 265.309 1.559 20 10 CDCDHM C[C@@H]1COCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445842 942892005 /nfs/dbraw/zinc/89/20/05/942892005.db2.gz BLKWHKOCCSQGOS-JTQLQIEISA-N -1 3 265.309 1.559 20 10 CDCDHM COC(=O)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231450855 942894395 /nfs/dbraw/zinc/89/43/95/942894395.db2.gz WGMQDQQNYFURHF-UHFFFAOYSA-N -1 3 293.319 1.475 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c([O-])c1 ZINC001231452938 942895801 /nfs/dbraw/zinc/89/58/01/942895801.db2.gz HWMYNKVVLUXYTB-YPMHNXCESA-N -1 3 289.331 1.891 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c([O-])c1 ZINC001231452938 942895804 /nfs/dbraw/zinc/89/58/04/942895804.db2.gz HWMYNKVVLUXYTB-YPMHNXCESA-N -1 3 289.331 1.891 20 10 CDCDHM COc1cc([O-])c(CN2CC(F)(CO)C2)cc1Cl ZINC001232263830 943194752 /nfs/dbraw/zinc/19/47/52/943194752.db2.gz ATQOZVSVYVUFBV-UHFFFAOYSA-N -1 3 275.707 1.570 20 10 CDCDHM NC(=O)NC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331627 943545591 /nfs/dbraw/zinc/54/55/91/943545591.db2.gz DPIVTVKCFJRUGH-UHFFFAOYSA-N -1 3 285.294 1.303 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001233331986 943546864 /nfs/dbraw/zinc/54/68/64/943546864.db2.gz SMBJMBOQJSXNKX-KCJUWKMLSA-N -1 3 261.243 1.575 20 10 CDCDHM Cc1nnc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])n1C ZINC001337785464 961421862 /nfs/dbraw/zinc/42/18/62/961421862.db2.gz NJGCXDBKFKWIJM-ZETCQYMHSA-N -1 3 282.294 1.958 20 10 CDCDHM CC(C)c1ccc(O)c(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001591973609 976578970 /nfs/dbraw/zinc/57/89/70/976578970.db2.gz DIKQIMNPADNBOY-CHWSQXEVSA-N -1 3 279.336 1.535 20 10 CDCDHM CN(C)c1ccc(/C=C\CN[C@@H](CF)C(=O)[O-])cc1 ZINC001598314575 991299949 /nfs/dbraw/zinc/29/99/49/991299949.db2.gz YJENBJFHRMSTHI-SCOBNMCVSA-N -1 3 266.316 1.778 20 10 CDCDHM CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001598640426 994310466 /nfs/dbraw/zinc/31/04/66/994310466.db2.gz XULYLCCBJHQQKS-RKDXNWHRSA-N -1 3 280.324 1.266 20 10 CDCDHM CN(Cc1ccccc1[O-])c1cnn(C)c(=O)c1Cl ZINC000089635620 342391228 /nfs/dbraw/zinc/39/12/28/342391228.db2.gz FAKXDOWJSYUBLC-UHFFFAOYSA-N -1 3 279.727 1.776 20 10 CDCDHM CC(C)[C@]1(CO)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000294730556 199156021 /nfs/dbraw/zinc/15/60/21/199156021.db2.gz LPCVLAWEINCXKG-MRXNPFEDSA-N -1 3 293.363 1.969 20 10 CDCDHM O=C1C[C@@H](NCc2c([O-])cccc2Cl)CN1C1CC1 ZINC000267751969 363890599 /nfs/dbraw/zinc/89/05/99/363890599.db2.gz MNCZZNIFBUPZGU-SECBINFHSA-N -1 3 280.755 1.899 20 10 CDCDHM CO[C@H]1COC[C@@H]1NCc1cc(Cl)c(F)cc1[O-] ZINC000293857242 370827727 /nfs/dbraw/zinc/82/77/27/370827727.db2.gz ICYYIBOSHVYWOS-JQWIXIFHSA-N -1 3 275.707 1.688 20 10 CDCDHM CCOC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCO1 ZINC000529899940 368096977 /nfs/dbraw/zinc/09/69/77/368096977.db2.gz WQUMXYFCZZEFGG-NSHDSACASA-N -1 3 295.335 1.284 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@](F)(CO)C1 ZINC000286610976 368905268 /nfs/dbraw/zinc/90/52/68/368905268.db2.gz BJLQHEYLBJKQMD-CYBMUJFWSA-N -1 3 269.272 1.034 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@](O)(C3CC3)C2)c([O-])c1O ZINC000373344055 391116580 /nfs/dbraw/zinc/11/65/80/391116580.db2.gz LRBKRIDLAYGUQG-OAHLLOKOSA-N -1 3 277.320 1.393 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCCOCC2)c([O-])c1O ZINC000182995131 391247812 /nfs/dbraw/zinc/24/78/12/391247812.db2.gz SDDNNOMRDWEWCB-SNVBAGLBSA-N -1 3 265.309 1.705 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000363926643 262036710 /nfs/dbraw/zinc/03/67/10/262036710.db2.gz KHIGWCBZEZBHBZ-OLZOCXBDSA-N -1 3 293.319 1.118 20 10 CDCDHM CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591323934 1173608840 /nfs/dbraw/zinc/60/88/40/1173608840.db2.gz GMKMCCCSFZLUIB-GUBZILKMSA-N -1 3 291.355 1.646 20 10 CDCDHM COC(=O)C[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000377833429 329031153 /nfs/dbraw/zinc/03/11/53/329031153.db2.gz DPQBICMILMCFQE-LBPRGKRZSA-N -1 3 283.299 1.295 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCN3C(=O)OC[C@H]3C2)c1[O-] ZINC000378440826 329050371 /nfs/dbraw/zinc/05/03/71/329050371.db2.gz CPGBKSAVYIUDEB-GFCCVEGCSA-N -1 3 296.754 1.990 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(CCOC2)C1 ZINC000187632403 329359967 /nfs/dbraw/zinc/35/99/67/329359967.db2.gz IVFFMCIAAACMOS-CQSZACIVSA-N -1 3 263.293 1.350 20 10 CDCDHM [O-]c1c(F)cccc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000166375186 331307081 /nfs/dbraw/zinc/30/70/81/331307081.db2.gz IUIVJIVCBHJSRU-CYBMUJFWSA-N -1 3 280.343 1.438 20 10 CDCDHM CCOC(=O)CS(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000148633795 1159217528 /nfs/dbraw/zinc/21/75/28/1159217528.db2.gz GJGATPCDGCJCEU-UHFFFAOYSA-N -1 3 273.310 1.005 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN(C)CCO)c1[O-] ZINC000050134645 518278608 /nfs/dbraw/zinc/27/86/08/518278608.db2.gz SNXMNBVYPRKJBJ-UHFFFAOYSA-N -1 3 257.717 1.672 20 10 CDCDHM O=C(N[C@@H](CCO)c1ccco1)c1cc([O-])cs1 ZINC000769653267 575367549 /nfs/dbraw/zinc/36/75/49/575367549.db2.gz KWKIGHDEBVJYGQ-VIFPVBQESA-N -1 3 267.306 1.900 20 10 CDCDHM CC(C)[C@H](C)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731909160 575070045 /nfs/dbraw/zinc/07/00/45/575070045.db2.gz BNDLTLFJZTYIIK-QMMMGPOBSA-N -1 3 271.338 1.771 20 10 CDCDHM CN(Cc1ccccc1[O-])Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000732203273 575083557 /nfs/dbraw/zinc/08/35/57/575083557.db2.gz UMTISQMNILPTBD-UHFFFAOYSA-N -1 3 299.334 1.407 20 10 CDCDHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000734179182 575160296 /nfs/dbraw/zinc/16/02/96/575160296.db2.gz UWAOSUAOZMPHIA-ZJUUUORDSA-N -1 3 296.392 1.831 20 10 CDCDHM CC(C)CN(CC(N)=O)C(=O)c1cc([O-])cs1 ZINC000765182465 575995582 /nfs/dbraw/zinc/99/55/82/575995582.db2.gz LZEIWKMCJZYTHY-UHFFFAOYSA-N -1 3 256.327 1.037 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000757422794 577040054 /nfs/dbraw/zinc/04/00/54/577040054.db2.gz ACQJIFUWDXYAPW-QWRGUYRKSA-N -1 3 283.349 1.474 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC000840975617 617968272 /nfs/dbraw/zinc/96/82/72/617968272.db2.gz PMCOQUXYTNTMIQ-BXKDBHETSA-N -1 3 289.734 1.360 20 10 CDCDHM O=C1OCCN1[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895250995 619496059 /nfs/dbraw/zinc/49/60/59/619496059.db2.gz FJBUUAUNCJNELJ-LLVKDONJSA-N -1 3 298.289 1.697 20 10 CDCDHM Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000910068759 628858617 /nfs/dbraw/zinc/85/86/17/628858617.db2.gz JHOUEGNREJGEEW-SSDOTTSWSA-N -1 3 275.308 1.929 20 10 CDCDHM CC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790589970 1162162315 /nfs/dbraw/zinc/16/23/15/1162162315.db2.gz LUTOUKCVRYWOMG-NSHDSACASA-N -1 3 292.335 1.086 20 10 CDCDHM C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780695 1165078251 /nfs/dbraw/zinc/07/82/51/1165078251.db2.gz VFWLVRJPWAWINH-WMFXKJRFSA-N -1 3 295.335 1.281 20 10 CDCDHM C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780699 1165079335 /nfs/dbraw/zinc/07/93/35/1165079335.db2.gz VFWLVRJPWAWINH-YHAQOWFVSA-N -1 3 295.335 1.281 20 10 CDCDHM C[C@H]([NH2+]CCOCCF)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964105 1173213328 /nfs/dbraw/zinc/21/33/28/1173213328.db2.gz QRBNUHYIXXBKTD-VIFPVBQESA-N -1 3 295.318 1.209 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589973606 1173219693 /nfs/dbraw/zinc/21/96/93/1173219693.db2.gz HVMIMSFZJXPPBV-RKDXNWHRSA-N -1 3 275.312 1.012 20 10 CDCDHM CC[C@H]([NH2+][C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467696 1173419302 /nfs/dbraw/zinc/41/93/02/1173419302.db2.gz SPZNRLRTMHBKIJ-SKDRFNHKSA-N -1 3 289.339 1.402 20 10 CDCDHM NC(=O)[C@H]1CCCN1Cc1c([O-])cccc1Br ZINC000862387738 790607879 /nfs/dbraw/zinc/60/78/79/790607879.db2.gz PMVPPVQGWIFKNW-SNVBAGLBSA-N -1 3 299.168 1.604 20 10 CDCDHM O=C(N[C@H]1CCCC2(C1)OCCO2)c1cccc(O)c1[O-] ZINC000715587001 790775398 /nfs/dbraw/zinc/77/53/98/790775398.db2.gz BSJNRPZFPXXKMU-JTQLQIEISA-N -1 3 293.319 1.513 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1CCc2n[nH]nc2C1 ZINC000827884473 789885524 /nfs/dbraw/zinc/88/55/24/789885524.db2.gz CJTMLFAEXJUTJB-UHFFFAOYSA-N -1 3 282.706 1.861 20 10 CDCDHM CNC(=O)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000776349029 789893167 /nfs/dbraw/zinc/89/31/67/789893167.db2.gz UJSWKKGLCADKGJ-UHFFFAOYSA-N -1 3 292.335 1.086 20 10 CDCDHM CC(=O)NCCN(C)Cc1c([O-])ccc(Cl)c1F ZINC000843428403 792052713 /nfs/dbraw/zinc/05/27/13/792052713.db2.gz WAAHVCLDFNFTLJ-UHFFFAOYSA-N -1 3 274.723 1.753 20 10 CDCDHM Cc1nnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000177667841 792465915 /nfs/dbraw/zinc/46/59/15/792465915.db2.gz HEPSWASLTPKHSF-UHFFFAOYSA-N -1 3 265.294 1.818 20 10 CDCDHM C[C@H]1CCN(S(=O)(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000830185150 792861308 /nfs/dbraw/zinc/86/13/08/792861308.db2.gz VPUVJDNJAVHKOW-ZETCQYMHSA-N -1 3 292.307 1.669 20 10 CDCDHM O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cccc(O)c1[O-] ZINC000715587003 793071549 /nfs/dbraw/zinc/07/15/49/793071549.db2.gz BSJNRPZFPXXKMU-SNVBAGLBSA-N -1 3 293.319 1.513 20 10 CDCDHM O=C(NCc1cccc2c1OCO2)c1cccc(O)c1[O-] ZINC000776338460 793220085 /nfs/dbraw/zinc/22/00/85/793220085.db2.gz IYJNRSBQTYPMBI-UHFFFAOYSA-N -1 3 287.271 1.757 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@@]2(C)CO)c1[O-] ZINC000878983748 793486775 /nfs/dbraw/zinc/48/67/75/793486775.db2.gz QFASGOHJJRSPPA-DOMZBBRYSA-N -1 3 297.326 1.052 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000093082253 793823276 /nfs/dbraw/zinc/82/32/76/793823276.db2.gz GWYXMEHIXTYIAY-LBPRGKRZSA-N -1 3 285.727 1.419 20 10 CDCDHM CC(C)(CO)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000775702460 793847163 /nfs/dbraw/zinc/84/71/63/793847163.db2.gz AGXRLSPUHKGZSB-UHFFFAOYSA-N -1 3 298.814 1.934 20 10 CDCDHM O=C(N[C@H]1CCn2cncc2C1)c1cccc(O)c1[O-] ZINC000857947135 794191306 /nfs/dbraw/zinc/19/13/06/794191306.db2.gz LETRIXSJHMLLTB-VIFPVBQESA-N -1 3 273.292 1.039 20 10 CDCDHM COCCCOCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000790918054 794304039 /nfs/dbraw/zinc/30/40/39/794304039.db2.gz MIWIZOYGPIPKJS-UHFFFAOYSA-N -1 3 283.324 1.223 20 10 CDCDHM CCN1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708423284 794354629 /nfs/dbraw/zinc/35/46/29/794354629.db2.gz RGAVGEMPJMMMFD-UHFFFAOYSA-N -1 3 256.296 1.808 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)C(F)(F)F ZINC000819566869 794602304 /nfs/dbraw/zinc/60/23/04/794602304.db2.gz SUFMTZSGQDYJFG-CDUCUWFYSA-N -1 3 279.214 1.139 20 10 CDCDHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])c2nccn21 ZINC000836960088 794850693 /nfs/dbraw/zinc/85/06/93/794850693.db2.gz OZORRPHMXPCUBN-SCZZXKLOSA-N -1 3 273.292 1.730 20 10 CDCDHM C[C@@H](CS(C)(=O)=O)N(C)Cc1c([O-])cccc1Cl ZINC000125946504 795585088 /nfs/dbraw/zinc/58/50/88/795585088.db2.gz LUOHNFHTLPXXBG-VIFPVBQESA-N -1 3 291.800 1.911 20 10 CDCDHM CCC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000189541186 795843946 /nfs/dbraw/zinc/84/39/46/795843946.db2.gz VMLIODNNSFAJJC-SNVBAGLBSA-N -1 3 265.309 1.739 20 10 CDCDHM Cc1ccc([C@H](O)CNC(=O)c2cccc(O)c2[O-])o1 ZINC000790769743 796215373 /nfs/dbraw/zinc/21/53/73/796215373.db2.gz XXKIPWMBXQWDIU-LLVKDONJSA-N -1 3 277.276 1.463 20 10 CDCDHM CN1CC2(C1)CN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139690218 936636449 /nfs/dbraw/zinc/63/64/49/936636449.db2.gz SWLIRXZAJWRECY-UHFFFAOYSA-N -1 3 254.280 1.418 20 10 CDCDHM COC(=O)[C@]1(C)COCCN1Cc1cc(F)ccc1[O-] ZINC001140056424 936674998 /nfs/dbraw/zinc/67/49/98/936674998.db2.gz WNYVCJKGYGUAHL-AWEZNQCLSA-N -1 3 283.299 1.295 20 10 CDCDHM Oc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1O ZINC001169995264 928901930 /nfs/dbraw/zinc/90/19/30/928901930.db2.gz WPJUIYXANWYEBD-UHFFFAOYSA-N -1 3 284.279 1.285 20 10 CDCDHM Oc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1O ZINC001169995264 928901936 /nfs/dbraw/zinc/90/19/36/928901936.db2.gz WPJUIYXANWYEBD-UHFFFAOYSA-N -1 3 284.279 1.285 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCc2cnccc2C1 ZINC001148212924 932668014 /nfs/dbraw/zinc/66/80/14/932668014.db2.gz OVHVLGILXMYVNE-UHFFFAOYSA-N -1 3 270.288 1.691 20 10 CDCDHM COC(=O)c1n[nH]c(C)c1NC(=O)c1cccc(O)c1[O-] ZINC001148212404 932668566 /nfs/dbraw/zinc/66/85/66/932668566.db2.gz YRTWOBLKEHSRFV-UHFFFAOYSA-N -1 3 291.263 1.168 20 10 CDCDHM O=C(Nc1cn(CCF)cn1)c1cccc(O)c1[O-] ZINC001148212111 932668884 /nfs/dbraw/zinc/66/88/84/932668884.db2.gz MQUCBIFZFZJZNF-UHFFFAOYSA-N -1 3 265.244 1.516 20 10 CDCDHM Cn1ncc2c1cccc2CNC(=O)c1cccc(O)c1[O-] ZINC001148225510 932673593 /nfs/dbraw/zinc/67/35/93/932673593.db2.gz MVYOZZFNCBTTHX-UHFFFAOYSA-N -1 3 297.314 1.915 20 10 CDCDHM CC1(C)CN(C(=O)c2cc(O)c([O-])c(O)c2)[C@](C)(CO)C1 ZINC001148582849 932751499 /nfs/dbraw/zinc/75/14/99/932751499.db2.gz NLCPMPLGIUXYQI-HNNXBMFYSA-N -1 3 295.335 1.427 20 10 CDCDHM CC(C)(C)CC[C@H](NC(=O)c1cccc(O)c1[O-])C(N)=O ZINC001155937767 937690507 /nfs/dbraw/zinc/69/05/07/937690507.db2.gz FTMAVPDOGKOCBU-JTQLQIEISA-N -1 3 294.351 1.508 20 10 CDCDHM C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1CO ZINC001231447463 942893499 /nfs/dbraw/zinc/89/34/99/942893499.db2.gz UXLQJTPJFFGGDA-GWCFXTLKSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1CO ZINC001231447463 942893504 /nfs/dbraw/zinc/89/35/04/942893504.db2.gz UXLQJTPJFFGGDA-GWCFXTLKSA-N -1 3 279.336 1.683 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001231453295 942897297 /nfs/dbraw/zinc/89/72/97/942897297.db2.gz GAGFBPWKMQGFIP-WCQYABFASA-N -1 3 263.293 1.311 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001231453295 942897300 /nfs/dbraw/zinc/89/73/00/942897300.db2.gz GAGFBPWKMQGFIP-WCQYABFASA-N -1 3 263.293 1.311 20 10 CDCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CCO1 ZINC001231883658 943041852 /nfs/dbraw/zinc/04/18/52/943041852.db2.gz SRNQNZWIDXUZSC-UHFFFAOYSA-N -1 3 257.289 1.904 20 10 CDCDHM CNC(=O)N[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231914159 943054409 /nfs/dbraw/zinc/05/44/09/943054409.db2.gz ZISCBYRDDGIVAH-NSHDSACASA-N -1 3 297.786 1.939 20 10 CDCDHM NC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000722179639 943968734 /nfs/dbraw/zinc/96/87/34/943968734.db2.gz JKJFCPARFFRNIF-UHFFFAOYSA-N -1 3 269.732 1.242 20 10 CDCDHM COc1ccc(CN2CC[C@H](F)[C@H](O)C2)c([O-])c1Cl ZINC001236801190 944572623 /nfs/dbraw/zinc/57/26/23/944572623.db2.gz HEUBWIYBIVEGGB-VHSXEESVSA-N -1 3 289.734 1.959 20 10 CDCDHM CN(Cc1c([O-])ccc(Cl)c1Cl)C[C@H](O)CO ZINC001237081583 944651741 /nfs/dbraw/zinc/65/17/41/944651741.db2.gz YRYJGJYLBBXFCM-ZETCQYMHSA-N -1 3 280.151 1.484 20 10 CDCDHM Cn1cccc(NC(=O)NCc2c([O-])cccc2F)c1=O ZINC001310339084 956683911 /nfs/dbraw/zinc/68/39/11/956683911.db2.gz LOKAWIVMFQPQDQ-UHFFFAOYSA-N -1 3 291.282 1.552 20 10 CDCDHM COc1cc(C)c(C[NH2+]C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC001604695361 973893853 /nfs/dbraw/zinc/89/38/53/973893853.db2.gz PJUQHHDOFMHHGL-SECBINFHSA-N -1 3 253.298 1.520 20 10 CDCDHM C[C@H](CCO)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592529380 978386045 /nfs/dbraw/zinc/38/60/45/978386045.db2.gz QDAYWGXEOPSKBQ-RKDXNWHRSA-N -1 3 253.298 1.512 20 10 CDCDHM C[C@H]([NH2+]CCCCO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265196 994570868 /nfs/dbraw/zinc/57/08/68/994570868.db2.gz QUMLHKGQLWTXDN-VIFPVBQESA-N -1 3 253.298 1.514 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1CCOCC1 ZINC000082318499 357068831 /nfs/dbraw/zinc/06/88/31/357068831.db2.gz JBUKGAGQXRBQIW-UHFFFAOYSA-N -1 3 272.142 1.987 20 10 CDCDHM CC1(C)CCC[C@@]1(O)CNC(=O)c1cccc(O)c1[O-] ZINC000294476295 199054869 /nfs/dbraw/zinc/05/48/69/199054869.db2.gz RFGLMRQIEHKCMP-OAHLLOKOSA-N -1 3 279.336 1.769 20 10 CDCDHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(O)c1[O-] ZINC000193134325 358268765 /nfs/dbraw/zinc/26/87/65/358268765.db2.gz OSZQJQOKOGLODY-XWIASGKRSA-N -1 3 277.320 1.785 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)CC(C)(C)O)c([O-])c1O ZINC000297114757 200088323 /nfs/dbraw/zinc/08/83/23/200088323.db2.gz GNMGLEOIERYSBJ-SECBINFHSA-N -1 3 267.325 1.686 20 10 CDCDHM CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000529970877 368099465 /nfs/dbraw/zinc/09/94/65/368099465.db2.gz VURMZYUGZGJXKF-RISCZKNCSA-N -1 3 265.309 1.784 20 10 CDCDHM CC[C@@H](NCC(=O)NCC(F)F)c1ccc(F)cc1[O-] ZINC000286375242 368806185 /nfs/dbraw/zinc/80/61/85/368806185.db2.gz AJTDCVYMMHDXNL-SNVBAGLBSA-N -1 3 290.285 1.953 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)[S@@]1=O ZINC000287211154 369123298 /nfs/dbraw/zinc/12/32/98/369123298.db2.gz IITIWSCIFICKPH-ZLMDCXFVSA-N -1 3 297.376 1.469 20 10 CDCDHM C[C@H](C(=O)NC(=O)NC1CC1)N(C)Cc1ccccc1[O-] ZINC000109773073 390648361 /nfs/dbraw/zinc/64/83/61/390648361.db2.gz HUEKRBXAMFCSLX-SNVBAGLBSA-N -1 3 291.351 1.201 20 10 CDCDHM CC[C@H](CSC)NC(=O)c1cccc(O)c1[O-] ZINC000126555532 390921087 /nfs/dbraw/zinc/92/10/87/390921087.db2.gz HTGXMYJMVJOZFN-MRVPVSSYSA-N -1 3 255.339 1.969 20 10 CDCDHM Cc1ccc(C(=O)NCCCn2cccn2)c([O-])c1O ZINC000177670792 391173997 /nfs/dbraw/zinc/17/39/97/391173997.db2.gz DWIWCCMHPAVOKL-UHFFFAOYSA-N -1 3 275.308 1.423 20 10 CDCDHM CC(C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179389260 391203873 /nfs/dbraw/zinc/20/38/73/391203873.db2.gz AUODIKFNZGXGAT-UHFFFAOYSA-N -1 3 286.353 1.244 20 10 CDCDHM C[C@@H]1CS(=O)(=O)CCN1Cc1ccccc1[O-] ZINC000179577162 391212902 /nfs/dbraw/zinc/21/29/02/391212902.db2.gz QUQRVHHCUJVGJZ-SNVBAGLBSA-N -1 3 255.339 1.011 20 10 CDCDHM CS(=O)(=O)[C@H]1CCN(Cc2ccccc2[O-])C1 ZINC000281921989 391427240 /nfs/dbraw/zinc/42/72/40/391427240.db2.gz AFHACKXZZSBVRU-NSHDSACASA-N -1 3 255.339 1.011 20 10 CDCDHM COC(=O)CN(C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184679942 262026123 /nfs/dbraw/zinc/02/61/23/262026123.db2.gz LTWASQHPAMHKMU-UHFFFAOYSA-N -1 3 273.716 1.659 20 10 CDCDHM CCC(O)(CC)CCNC(=O)c1cccc(O)c1[O-] ZINC000276483015 263036904 /nfs/dbraw/zinc/03/69/04/263036904.db2.gz QXUWAHGNUUXVFQ-UHFFFAOYSA-N -1 3 267.325 1.769 20 10 CDCDHM COCCN(CCOC)Cc1cccc(F)c1[O-] ZINC000160221494 264236843 /nfs/dbraw/zinc/23/68/43/264236843.db2.gz JEZUQOZRRQGKJD-UHFFFAOYSA-N -1 3 257.305 1.626 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)C[C@@H]2C)c1[O-] ZINC000378326733 329045989 /nfs/dbraw/zinc/04/59/89/329045989.db2.gz OZUPTRSIYOSPCR-VIFPVBQESA-N -1 3 294.326 1.444 20 10 CDCDHM O=C(/C=C\c1cncc([O-])c1)N1CCCn2nccc21 ZINC000492402936 332395802 /nfs/dbraw/zinc/39/58/02/332395802.db2.gz XWPXSVSSHNLFGV-IHWYPQMZSA-N -1 3 270.292 1.434 20 10 CDCDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](C)CO ZINC000292339180 521292894 /nfs/dbraw/zinc/29/28/94/521292894.db2.gz WXAZPFGEXGESCD-SECBINFHSA-N -1 3 269.316 1.937 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000062745936 521743764 /nfs/dbraw/zinc/74/37/64/521743764.db2.gz IQPZNEMIJJTMKQ-DTWKUNHWSA-N -1 3 254.305 1.707 20 10 CDCDHM COC(=O)[C@@H](CC(F)(F)F)NCc1ccccc1[O-] ZINC000276508821 523569251 /nfs/dbraw/zinc/56/92/51/523569251.db2.gz STMZPAIMDCILDK-SECBINFHSA-N -1 3 277.242 1.976 20 10 CDCDHM CO[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000234889381 523996402 /nfs/dbraw/zinc/99/64/02/523996402.db2.gz QGYBPHFVXDDFOJ-LBPRGKRZSA-N -1 3 267.300 1.955 20 10 CDCDHM Cc1cccc([O-])c1C[N@@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001600543414 1174500320 /nfs/dbraw/zinc/50/03/20/1174500320.db2.gz VKHVYLXIJSOMJW-LLVKDONJSA-N -1 3 281.377 1.950 20 10 CDCDHM Cc1cccc([O-])c1C[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001600543414 1174500326 /nfs/dbraw/zinc/50/03/26/1174500326.db2.gz VKHVYLXIJSOMJW-LLVKDONJSA-N -1 3 281.377 1.950 20 10 CDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CC[S@@](=O)C1 ZINC000762924160 575015706 /nfs/dbraw/zinc/01/57/06/575015706.db2.gz YKLFCJRGATUDFD-WNWIJWBNSA-N -1 3 273.379 1.294 20 10 CDCDHM NC(=O)[C@@H](OC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731909633 575070371 /nfs/dbraw/zinc/07/03/71/575070371.db2.gz GXJDDOQCFZWOCV-NSHDSACASA-N -1 3 277.301 1.837 20 10 CDCDHM CNC(=O)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732262864 575084531 /nfs/dbraw/zinc/08/45/31/575084531.db2.gz HGSSZUGIBXDGHR-UHFFFAOYSA-N -1 3 268.338 1.052 20 10 CDCDHM O=C(CCNC(=O)c1cc([O-])cs1)Nc1ccccn1 ZINC000732271035 575085356 /nfs/dbraw/zinc/08/53/56/575085356.db2.gz NROFQEIMGBXXML-UHFFFAOYSA-N -1 3 291.332 1.607 20 10 CDCDHM Cn1c(Cl)cnc1CNC(=O)c1cc([O-])cs1 ZINC000732282053 575086548 /nfs/dbraw/zinc/08/65/48/575086548.db2.gz IPSDYLZPUMVYPG-UHFFFAOYSA-N -1 3 271.729 1.771 20 10 CDCDHM CCOC(=O)[C@@H](C)NCc1ccc(OCC)cc1[O-] ZINC000763269012 576727942 /nfs/dbraw/zinc/72/79/42/576727942.db2.gz KZIBFSWORSOMCP-SNVBAGLBSA-N -1 3 267.325 1.832 20 10 CDCDHM COCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774838369 575245490 /nfs/dbraw/zinc/24/54/90/575245490.db2.gz SSRHONYONIGGDV-UHFFFAOYSA-N -1 3 270.285 1.387 20 10 CDCDHM CCC[C@@H]1C(=O)NCCN1Cc1ccc(OCC)cc1[O-] ZINC000769514929 575354789 /nfs/dbraw/zinc/35/47/89/575354789.db2.gz MKFXMKOJSVQFIE-CQSZACIVSA-N -1 3 292.379 1.891 20 10 CDCDHM COc1cccc([O-])c1CNCc1nnnn1CC1CC1 ZINC000769936508 575398666 /nfs/dbraw/zinc/39/86/66/575398666.db2.gz LHVGFBLMMGCGKU-UHFFFAOYSA-N -1 3 289.339 1.087 20 10 CDCDHM O=C(Nc1ccnc2ccnn21)c1cc([O-])cs1 ZINC000735332134 575456612 /nfs/dbraw/zinc/45/66/12/575456612.db2.gz VXDAWNSULABZOC-UHFFFAOYSA-N -1 3 260.278 1.749 20 10 CDCDHM C[C@H](NC(=O)c1c[n-]nn1)c1ccc(N(C)C)cc1 ZINC000773022711 575774755 /nfs/dbraw/zinc/77/47/55/575774755.db2.gz WGHTZGUQLNKQQH-VIFPVBQESA-N -1 3 259.313 1.362 20 10 CDCDHM C[C@H](NC(=O)c1cnn[n-]1)c1ccc(N(C)C)cc1 ZINC000773022711 575774758 /nfs/dbraw/zinc/77/47/58/575774758.db2.gz WGHTZGUQLNKQQH-VIFPVBQESA-N -1 3 259.313 1.362 20 10 CDCDHM C[C@H](NC(=O)c1cn[n-]n1)c1ccc(N(C)C)cc1 ZINC000773022711 575774761 /nfs/dbraw/zinc/77/47/61/575774761.db2.gz WGHTZGUQLNKQQH-VIFPVBQESA-N -1 3 259.313 1.362 20 10 CDCDHM COC1(CO)CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000773254232 575795476 /nfs/dbraw/zinc/79/54/76/575795476.db2.gz JCGBIJSPQXSUOY-UHFFFAOYSA-N -1 3 295.335 1.020 20 10 CDCDHM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000764486019 575914884 /nfs/dbraw/zinc/91/48/84/575914884.db2.gz ZMTYOXODQAUCKR-SECBINFHSA-N -1 3 289.378 1.103 20 10 CDCDHM COCC1(NCc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000765268661 576003169 /nfs/dbraw/zinc/00/31/69/576003169.db2.gz ALXWUYKSVOBYGV-UHFFFAOYSA-N -1 3 252.270 1.569 20 10 CDCDHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N1CC[C@H](C)C1 ZINC000766048624 576074262 /nfs/dbraw/zinc/07/42/62/576074262.db2.gz UTMDGCBWNARZFX-VIFPVBQESA-N -1 3 298.364 1.593 20 10 CDCDHM CCC(=O)N1CCCN(Cc2c([O-])cccc2OC)CC1 ZINC000768925351 576317548 /nfs/dbraw/zinc/31/75/48/576317548.db2.gz GIJXRIZFCJVVGG-UHFFFAOYSA-N -1 3 292.379 1.845 20 10 CDCDHM CCOc1ccc(CN2CCO[C@@H](COC)C2)c([O-])c1 ZINC000769460478 576355725 /nfs/dbraw/zinc/35/57/25/576355725.db2.gz JRXWRXKISDMXPI-CQSZACIVSA-N -1 3 281.352 1.638 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000760178886 576464525 /nfs/dbraw/zinc/46/45/25/576464525.db2.gz YAPMSCNGZLZZQN-VXNVDRBHSA-N -1 3 295.282 1.982 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC(Cn2ccnn2)CC1 ZINC000753845670 576862164 /nfs/dbraw/zinc/86/21/64/576862164.db2.gz GNSCNXPAEGMAIQ-UHFFFAOYSA-N -1 3 292.364 1.598 20 10 CDCDHM Cn1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000748098748 576895753 /nfs/dbraw/zinc/89/57/53/576895753.db2.gz MJAOBPSYZQYTML-UHFFFAOYSA-N -1 3 261.281 1.929 20 10 CDCDHM Cc1nc(C)c(CC(=O)NCc2ccccc2O)c(=O)[n-]1 ZINC000748345983 576906561 /nfs/dbraw/zinc/90/65/61/576906561.db2.gz TZYZERCGLBPUEU-UHFFFAOYSA-N -1 3 287.319 1.364 20 10 CDCDHM O=C(NC[C@@H](O)C(F)(F)F)c1cc([O-])cs1 ZINC000748412037 576911347 /nfs/dbraw/zinc/91/13/47/576911347.db2.gz IHNABNSAUFVHGF-ZCFIWIBFSA-N -1 3 255.217 1.107 20 10 CDCDHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(F)cc(F)c1[O-] ZINC000894536530 618954821 /nfs/dbraw/zinc/95/48/21/618954821.db2.gz AFIPUCDRUGJVKE-KDDOJWQBSA-N -1 3 296.317 1.756 20 10 CDCDHM O=C([O-])c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1[O-] ZINC000905792619 626976336 /nfs/dbraw/zinc/97/63/36/626976336.db2.gz CZHQNPSWFKVVLU-LLVKDONJSA-N -1 3 287.319 1.912 20 10 CDCDHM O=S(=O)([N-]Cc1ccccc1O)c1cnccc1Cl ZINC000228409959 1165411146 /nfs/dbraw/zinc/41/11/46/1165411146.db2.gz JQDBJVSEDIXZSG-UHFFFAOYSA-N -1 3 298.751 1.919 20 10 CDCDHM CN(Cc1cn[nH]n1)Cc1cc(F)c(F)cc1[O-] ZINC001576863711 1171539780 /nfs/dbraw/zinc/53/97/80/1171539780.db2.gz ZAMNWGCVAALDDX-UHFFFAOYSA-N -1 3 254.240 1.421 20 10 CDCDHM CN(Cc1c[nH]nn1)Cc1cc(F)c(F)cc1[O-] ZINC001576863711 1171539790 /nfs/dbraw/zinc/53/97/90/1171539790.db2.gz ZAMNWGCVAALDDX-UHFFFAOYSA-N -1 3 254.240 1.421 20 10 CDCDHM O=C([O-])[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601640801 1174923152 /nfs/dbraw/zinc/92/31/52/1174923152.db2.gz FMQQAHHGDASHPN-NWDGAFQWSA-N -1 3 283.299 1.643 20 10 CDCDHM Cc1nocc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000866424210 1164779895 /nfs/dbraw/zinc/77/98/95/1164779895.db2.gz GOMJSRLMBJEIID-UHFFFAOYSA-N -1 3 295.364 1.528 20 10 CDCDHM COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@@H]21 ZINC000877547513 1166055732 /nfs/dbraw/zinc/05/57/32/1166055732.db2.gz ZGCSPLADNLGXDH-JZYVYDRUSA-N -1 3 283.274 1.521 20 10 CDCDHM Cc1cc([O-])c(CNCc2cn(C)nn2)cc1Cl ZINC000825484010 796505173 /nfs/dbraw/zinc/50/51/73/796505173.db2.gz GULPTHNQQGPLPL-UHFFFAOYSA-N -1 3 266.732 1.772 20 10 CDCDHM Cn1cnnc1CNCc1c([O-])cccc1Br ZINC000706829856 796606263 /nfs/dbraw/zinc/60/62/63/796606263.db2.gz BTHCYOVOGXNVJE-UHFFFAOYSA-N -1 3 297.156 1.573 20 10 CDCDHM O=C(N[C@H]1CCCC12OCCO2)c1cccc(O)c1[O-] ZINC000716058379 797030659 /nfs/dbraw/zinc/03/06/59/797030659.db2.gz RIONRJQHEMKMBJ-NSHDSACASA-N -1 3 279.292 1.123 20 10 CDCDHM CCO[N-]C(=O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858184928 797597573 /nfs/dbraw/zinc/59/75/73/797597573.db2.gz XMGCMZSVSZGYQC-UHFFFAOYSA-N -1 3 287.310 1.188 20 10 CDCDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])CC(C)C ZINC000841444040 797774455 /nfs/dbraw/zinc/77/44/55/797774455.db2.gz BOIXAISGFIHJQU-SNVBAGLBSA-N -1 3 267.325 1.889 20 10 CDCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)CC2)cc1Cl ZINC000824710541 797895460 /nfs/dbraw/zinc/89/54/60/797895460.db2.gz VYYXCPHZGBOXKT-UHFFFAOYSA-N -1 3 289.784 1.584 20 10 CDCDHM CCNC(=O)CN(CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050155096 797976788 /nfs/dbraw/zinc/97/67/88/797976788.db2.gz CEWDSLXZBDCWFJ-UHFFFAOYSA-N -1 3 296.342 1.692 20 10 CDCDHM CN1CCN(C2CN(Cc3ccc(F)c(F)c3[O-])C2)CC1 ZINC001233078768 912713893 /nfs/dbraw/zinc/71/38/93/912713893.db2.gz JFRQIIQBYFXNFT-UHFFFAOYSA-N -1 3 297.349 1.102 20 10 CDCDHM CCN(Cc1cc(F)c(F)cc1[O-])C1CN(C)C1 ZINC001142530335 908876344 /nfs/dbraw/zinc/87/63/44/908876344.db2.gz DVFVWJOVRJLVMB-UHFFFAOYSA-N -1 3 256.296 1.806 20 10 CDCDHM O=C(/C=C/c1ccc(O)c(O)c1)Nc1cncc([O-])c1 ZINC001179683782 915943820 /nfs/dbraw/zinc/94/38/20/915943820.db2.gz XDHTVZUNSKFTEU-DUXPYHPUSA-N -1 3 272.260 1.850 20 10 CDCDHM COCC(=O)N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1 ZINC001137841843 936420115 /nfs/dbraw/zinc/42/01/15/936420115.db2.gz XIENNEZRDOEIJF-LLVKDONJSA-N -1 3 296.342 1.258 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2c([O-])c(F)ccc2F)C1 ZINC001139685733 936635505 /nfs/dbraw/zinc/63/55/05/936635505.db2.gz VJOITGBLMWEFFN-CYBMUJFWSA-N -1 3 257.280 1.875 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CCN2CC[C@@H]2C1 ZINC001139689758 936636235 /nfs/dbraw/zinc/63/62/35/936636235.db2.gz LTPABTXZBLUAGZ-SECBINFHSA-N -1 3 254.280 1.560 20 10 CDCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CC(=O)N1 ZINC001140461642 936712317 /nfs/dbraw/zinc/71/23/17/936712317.db2.gz OQMNJUBFVBTGKL-MRVPVSSYSA-N -1 3 254.717 1.366 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CCOC[C@H](O)C1 ZINC001140463322 936712439 /nfs/dbraw/zinc/71/24/39/936712439.db2.gz ZYBJJPRKRSPZRP-LLVKDONJSA-N -1 3 257.717 1.239 20 10 CDCDHM COc1ncccc1CNC(=O)c1cccc(O)c1[O-] ZINC000186884867 922022233 /nfs/dbraw/zinc/02/22/33/922022233.db2.gz YVWRFGVCDRNOSC-UHFFFAOYSA-N -1 3 274.276 1.431 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@H](O)[C@@H](F)CC1 ZINC001140582980 936727094 /nfs/dbraw/zinc/72/70/94/936727094.db2.gz RQUMPGIDFWNAEL-JQWIXIFHSA-N -1 3 275.270 1.965 20 10 CDCDHM O=C(Nc1nc2n(n1)CCCC2)c1cccc(O)c1[O-] ZINC000837194825 936832136 /nfs/dbraw/zinc/83/21/36/936832136.db2.gz BKMWRXLZZZHHJN-UHFFFAOYSA-N -1 3 274.280 1.278 20 10 CDCDHM O=C(c1ccc(O)c([O-])c1Cl)N1CCN2CC[C@@H]2C1 ZINC001193232701 923554735 /nfs/dbraw/zinc/55/47/35/923554735.db2.gz NPLHBIRJCFPZGI-MRVPVSSYSA-N -1 3 282.727 1.281 20 10 CDCDHM CN(Cc1cccc(Cl)c1[O-])[C@H]1CCNC1=O ZINC000775745224 924995874 /nfs/dbraw/zinc/99/58/74/924995874.db2.gz RVTZPZMMAJFMGP-JTQLQIEISA-N -1 3 254.717 1.366 20 10 CDCDHM COC(=O)C(C)(C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000841454705 937003959 /nfs/dbraw/zinc/00/39/59/937003959.db2.gz PMAKORJLWLINGS-UHFFFAOYSA-N -1 3 267.281 1.121 20 10 CDCDHM CC(C)(C)OC[C@H](O)CNCC(=O)c1ccc([O-])c(O)c1 ZINC001253476064 930789616 /nfs/dbraw/zinc/78/96/16/930789616.db2.gz DINAETUQBZSXHD-LLVKDONJSA-N -1 3 297.351 1.046 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](CO)CC(F)(F)C1 ZINC001148212332 932668782 /nfs/dbraw/zinc/66/87/82/932668782.db2.gz XTZRBHQKUNGMQY-MRVPVSSYSA-N -1 3 287.262 1.188 20 10 CDCDHM COc1ccc(CO)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148218918 932670514 /nfs/dbraw/zinc/67/05/14/932670514.db2.gz OBILPVUERGLEFF-UHFFFAOYSA-N -1 3 289.287 1.851 20 10 CDCDHM COC(=O)[C@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001148223937 932671596 /nfs/dbraw/zinc/67/15/96/932671596.db2.gz AHDDNSPUCLMVHC-IUCAKERBSA-N -1 3 279.292 1.169 20 10 CDCDHM Cc1cnc(NC(=O)c2cc(O)c([O-])c(O)c2)nc1C ZINC001148580497 932749542 /nfs/dbraw/zinc/74/95/42/932749542.db2.gz GNMWGAJRJRHYAL-UHFFFAOYSA-N -1 3 275.264 1.463 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCc2ncccc2C1 ZINC001148583839 932751317 /nfs/dbraw/zinc/75/13/17/932751317.db2.gz DEHITLIBMBTHBH-UHFFFAOYSA-N -1 3 286.287 1.397 20 10 CDCDHM COC(C)(C)[C@H]1CCCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584625 932752984 /nfs/dbraw/zinc/75/29/84/932752984.db2.gz WLAQRCJMPFKLOC-GFCCVEGCSA-N -1 3 295.335 1.833 20 10 CDCDHM C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cnccn1 ZINC001148589983 932754717 /nfs/dbraw/zinc/75/47/17/932754717.db2.gz UKRZHVZPYUMULJ-SSDOTTSWSA-N -1 3 275.264 1.084 20 10 CDCDHM COC(=O)CC1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232267547 943197303 /nfs/dbraw/zinc/19/73/03/943197303.db2.gz IVKIXBDXDPMXFS-UHFFFAOYSA-N -1 3 285.727 1.746 20 10 CDCDHM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CN2CCC1CC2 ZINC001234473589 943858791 /nfs/dbraw/zinc/85/87/91/943858791.db2.gz IKLKCHYJMUIPQT-HNNXBMFYSA-N -1 3 277.320 1.773 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)c1ccnc2ccnn21 ZINC001303875947 945817953 /nfs/dbraw/zinc/81/79/53/945817953.db2.gz RVCRRYUMVOJUGC-UHFFFAOYSA-N -1 3 286.266 1.504 20 10 CDCDHM CCOC(=O)CC[C@@H](C)NCC(=O)c1ccc([O-])c(O)c1 ZINC001258480492 948873010 /nfs/dbraw/zinc/87/30/10/948873010.db2.gz BQCQBGDKHIIPGL-SNVBAGLBSA-N -1 3 295.335 1.602 20 10 CDCDHM NC(=O)c1cc(C(=O)NCc2c([O-])cccc2F)co1 ZINC001303875174 956126711 /nfs/dbraw/zinc/12/67/11/956126711.db2.gz BWUZJLRPQZCWQG-UHFFFAOYSA-N -1 3 278.239 1.153 20 10 CDCDHM COCCO[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001308688585 956565175 /nfs/dbraw/zinc/56/51/75/956565175.db2.gz JTXFYCUQOIGTHG-LLVKDONJSA-N -1 3 287.306 1.908 20 10 CDCDHM CCOc1ccc(C[NH2+]C[C@H](C)C(=O)[O-])c([O-])c1 ZINC000848637721 969211997 /nfs/dbraw/zinc/21/19/97/969211997.db2.gz LHSUGNBPVFUOLO-VIFPVBQESA-N -1 3 253.298 1.601 20 10 CDCDHM CN(C)c1ccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1F ZINC001598317733 991307679 /nfs/dbraw/zinc/30/76/79/991307679.db2.gz KQTPAIXFPKWNIZ-VXGBXAGGSA-N -1 3 296.342 1.159 20 10 CDCDHM C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218551 994287540 /nfs/dbraw/zinc/28/75/40/994287540.db2.gz GUHWJLWFEADPGU-HJIKLVIJSA-N -1 3 279.336 1.900 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)CC(C)(CO)CO)c1[O-] ZINC000135931369 361773139 /nfs/dbraw/zinc/77/31/39/361773139.db2.gz XMZUZHYBPLAVDC-UHFFFAOYSA-N -1 3 299.342 1.157 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCN(C)C2=O)c1[O-] ZINC000079443297 342344649 /nfs/dbraw/zinc/34/46/49/342344649.db2.gz QSLFRBBKLKZMSX-CYBMUJFWSA-N -1 3 294.326 1.396 20 10 CDCDHM CNS(=O)(=O)CCN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000187175512 290757413 /nfs/dbraw/zinc/75/74/13/290757413.db2.gz FXJXIKFEDOAVRF-QMMMGPOBSA-N -1 3 292.788 1.245 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCS[C@@H]2COCC[C@@H]21 ZINC000275078665 365913915 /nfs/dbraw/zinc/91/39/15/365913915.db2.gz DBRSQXKEYPQYFC-CMPLNLGQSA-N -1 3 295.360 1.444 20 10 CDCDHM Cc1ccc(C(=O)N2CCN(C3CCC3)CC2)c([O-])c1O ZINC000272763916 365386050 /nfs/dbraw/zinc/38/60/50/365386050.db2.gz QUXHTRIHVCTTTL-UHFFFAOYSA-N -1 3 290.363 1.717 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273433951 365494842 /nfs/dbraw/zinc/49/48/42/365494842.db2.gz WMVBLMSQFMATJV-RKDXNWHRSA-N -1 3 281.312 1.476 20 10 CDCDHM CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276698376 284302670 /nfs/dbraw/zinc/30/26/70/284302670.db2.gz VLCVFWWEPMFIGB-NXEZZACHSA-N -1 3 295.339 1.818 20 10 CDCDHM O=C(N[C@H]1CCc2n[nH]cc2C1)c1cccc(O)c1[O-] ZINC000193069222 373670652 /nfs/dbraw/zinc/67/06/52/373670652.db2.gz YYBHMFMEVCGKRH-VIFPVBQESA-N -1 3 273.292 1.108 20 10 CDCDHM CCOC(=O)[C@@H](F)C1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000294144325 378617277 /nfs/dbraw/zinc/61/72/77/378617277.db2.gz LTIXIOIMCUGCCU-NSHDSACASA-N -1 3 297.282 1.071 20 10 CDCDHM O=C(NC[C@@H]1CSCCS1)c1cccc(O)c1[O-] ZINC000126552283 390921109 /nfs/dbraw/zinc/92/11/09/390921109.db2.gz UAJVHLQAPNFGJG-MRVPVSSYSA-N -1 3 285.390 1.676 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ncc[nH]1 ZINC000365695502 391125339 /nfs/dbraw/zinc/12/53/39/391125339.db2.gz OSNXVWZTPPJPPS-SNVBAGLBSA-N -1 3 273.292 1.798 20 10 CDCDHM CCN(CCS(C)(=O)=O)Cc1c([O-])cccc1Cl ZINC000271165016 391289574 /nfs/dbraw/zinc/28/95/74/391289574.db2.gz BJXLVMJQHPMLJY-UHFFFAOYSA-N -1 3 291.800 1.912 20 10 CDCDHM CC[C@H]1CO[C@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000126283942 260349492 /nfs/dbraw/zinc/34/94/92/260349492.db2.gz KAMSWSGQRUHKMZ-ZJUUUORDSA-N -1 3 265.309 1.737 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](C2OCCO2)C1 ZINC000280758013 263064271 /nfs/dbraw/zinc/06/42/71/263064271.db2.gz XUCXRCBGCAMNSC-SNVBAGLBSA-N -1 3 293.319 1.323 20 10 CDCDHM CC[C@@H](C)[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000185855184 327848243 /nfs/dbraw/zinc/84/82/43/327848243.db2.gz LHPIZKHRAALBJK-LDYMZIIASA-N -1 3 253.298 1.235 20 10 CDCDHM Cc1ccc(C(=O)N2CCCOCC2)c([O-])c1O ZINC000378566429 329055054 /nfs/dbraw/zinc/05/50/54/329055054.db2.gz RYUPDTINRIDJSY-UHFFFAOYSA-N -1 3 251.282 1.269 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOCC2(CCC2)C1 ZINC000369140055 328943165 /nfs/dbraw/zinc/94/31/65/328943165.db2.gz OCTVCBHRTVOKCM-UHFFFAOYSA-N -1 3 277.320 1.741 20 10 CDCDHM Cc1ccc(C(=O)N2CCOCC23CCC3)c([O-])c1O ZINC000182882650 329245738 /nfs/dbraw/zinc/24/57/38/329245738.db2.gz FEMCLWFINCVMDG-UHFFFAOYSA-N -1 3 277.320 1.801 20 10 CDCDHM O=C(NC[C@@H](CO)Cc1ccco1)c1cccc(O)c1[O-] ZINC000790528327 1162159389 /nfs/dbraw/zinc/15/93/89/1162159389.db2.gz RJVJUXVPOUPOMM-JTQLQIEISA-N -1 3 291.303 1.272 20 10 CDCDHM CC(=O)C[C@@H]1COCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000274796357 519434400 /nfs/dbraw/zinc/43/44/00/519434400.db2.gz NVXFKLSCZKPKRL-LLVKDONJSA-N -1 3 293.319 1.226 20 10 CDCDHM CC(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048923536 519741438 /nfs/dbraw/zinc/74/14/38/519741438.db2.gz PDRQSZFBOIVEFO-UHFFFAOYSA-N -1 3 286.353 1.150 20 10 CDCDHM CC(C)c1nnc([C@H](C)NC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000280043501 519867053 /nfs/dbraw/zinc/86/70/53/519867053.db2.gz ZMXQSDHBAWPRBO-QMMMGPOBSA-N -1 3 290.323 1.830 20 10 CDCDHM Cc1ccc(C(=O)NCCC(C)(C)O)c([O-])c1O ZINC000274833353 526160055 /nfs/dbraw/zinc/16/00/55/526160055.db2.gz KDPMLTGBWVVXHZ-UHFFFAOYSA-N -1 3 253.298 1.297 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H](C)c2nncn2C)c([O-])c1O ZINC000280648320 526178383 /nfs/dbraw/zinc/17/83/83/526178383.db2.gz DEPXEHQYWBRIDZ-VIFPVBQESA-N -1 3 290.323 1.068 20 10 CDCDHM O=C(CNCc1c([O-])cccc1Cl)NCC(F)F ZINC000280206903 526882963 /nfs/dbraw/zinc/88/29/63/526882963.db2.gz FIZGOQGBHZMZQJ-UHFFFAOYSA-N -1 3 278.686 1.517 20 10 CDCDHM Cc1cc(Cl)cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)c1[O-] ZINC001600218911 1174415421 /nfs/dbraw/zinc/41/54/21/1174415421.db2.gz GATQFXKWIGTTMJ-PWSUYJOCSA-N -1 3 299.754 1.621 20 10 CDCDHM Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)c1[O-] ZINC001600218911 1174415425 /nfs/dbraw/zinc/41/54/25/1174415425.db2.gz GATQFXKWIGTTMJ-PWSUYJOCSA-N -1 3 299.754 1.621 20 10 CDCDHM CCC[C@@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000774393952 575202537 /nfs/dbraw/zinc/20/25/37/575202537.db2.gz NASUVZAEMUMYDU-MRVPVSSYSA-N -1 3 257.311 1.525 20 10 CDCDHM Cc1ccc([C@@H](C)NCc2nnnn2CC2CC2)c([O-])c1 ZINC000769989857 575406922 /nfs/dbraw/zinc/40/69/22/575406922.db2.gz RFUOKPUSNHCFRV-LLVKDONJSA-N -1 3 287.367 1.948 20 10 CDCDHM COCCN(CCOC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000770466813 575453662 /nfs/dbraw/zinc/45/36/62/575453662.db2.gz ZKBIMGXSCAGJRR-UHFFFAOYSA-N -1 3 283.324 1.141 20 10 CDCDHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N(C)C(C)C ZINC000766049079 576074373 /nfs/dbraw/zinc/07/43/73/576074373.db2.gz ZHSSJGUQMIDWDZ-UHFFFAOYSA-N -1 3 286.353 1.592 20 10 CDCDHM O=C(NCCc1cn2c(n1)SCC2)c1cc([O-])cs1 ZINC000768737065 576305117 /nfs/dbraw/zinc/30/51/17/576305117.db2.gz HOMFCCYHGSJWKA-UHFFFAOYSA-N -1 3 295.389 1.728 20 10 CDCDHM O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001601807980 1175016609 /nfs/dbraw/zinc/01/66/09/1175016609.db2.gz JPLXZSCGAPGRBT-WDEREUQCSA-N -1 3 253.273 1.874 20 10 CDCDHM NC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775632831 617546725 /nfs/dbraw/zinc/54/67/25/617546725.db2.gz ABMQTJKTAJQOBO-QMMMGPOBSA-N -1 3 286.734 1.882 20 10 CDCDHM O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(F)cc(F)c1[O-] ZINC000893954906 618221106 /nfs/dbraw/zinc/22/11/06/618221106.db2.gz QKZPCWLEPQQUKW-ZDUSSCGKSA-N -1 3 296.317 1.913 20 10 CDCDHM COC(=O)CC1(NC(=O)c2cccc(O)c2[O-])CCC1 ZINC000897951242 621242686 /nfs/dbraw/zinc/24/26/86/621242686.db2.gz HYTLIGRNTUTPRR-UHFFFAOYSA-N -1 3 279.292 1.313 20 10 CDCDHM O=C(Nc1cccc2c1CNC2=O)c1cccc(O)c1[O-] ZINC000805243048 1162547447 /nfs/dbraw/zinc/54/74/47/1162547447.db2.gz PKXGWBRCVJOSNP-UHFFFAOYSA-N -1 3 284.271 1.594 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(Oc2ccncc2)C1 ZINC000790634508 1162164488 /nfs/dbraw/zinc/16/44/88/1162164488.db2.gz LPQCSARGCDUCLZ-UHFFFAOYSA-N -1 3 286.287 1.396 20 10 CDCDHM O=C(NCCOC[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000790721850 1162169446 /nfs/dbraw/zinc/16/94/46/1162169446.db2.gz ZXGITARUWRQCHF-JTQLQIEISA-N -1 3 281.308 1.023 20 10 CDCDHM CC[C@H](C[C@H](C)CO)NC(=O)c1cccc(O)c1[O-] ZINC000790911656 1162176760 /nfs/dbraw/zinc/17/67/60/1162176760.db2.gz TUNKHNYHXJUCET-VHSXEESVSA-N -1 3 267.325 1.625 20 10 CDCDHM C[C@@H]([NH2+]CC1(CO)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780084 1165079373 /nfs/dbraw/zinc/07/93/73/1165079373.db2.gz SLCGVTGKADRKKR-SNVBAGLBSA-N -1 3 279.336 1.904 20 10 CDCDHM C[C@@H]([NH2+]CCN1CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609782311 1165080082 /nfs/dbraw/zinc/08/00/82/1165080082.db2.gz ZKYGZHZXIWFKEP-SNVBAGLBSA-N -1 3 264.325 1.447 20 10 CDCDHM O=C([O-])C[C@@]1([NH2+]Cc2cc(F)ccc2[O-])CCCOC1 ZINC001601936505 1175075026 /nfs/dbraw/zinc/07/50/26/1175075026.db2.gz VOBSBYPHLFNSSO-AWEZNQCLSA-N -1 3 283.299 1.645 20 10 CDCDHM CON(C)C(=O)[C@@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000862542635 811885133 /nfs/dbraw/zinc/88/51/33/811885133.db2.gz WBQZKCTWIDBENB-SSDOTTSWSA-N -1 3 290.722 1.683 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000126734096 805084253 /nfs/dbraw/zinc/08/42/53/805084253.db2.gz FLDXPSGSBWQXRM-QMMMGPOBSA-N -1 3 281.308 1.558 20 10 CDCDHM [O-]c1ccc2ccncc2c1CN1CCO[C@@H]2C[C@@H]21 ZINC000793609896 811863164 /nfs/dbraw/zinc/86/31/64/811863164.db2.gz BTDRRADCSKNLAE-DZGCQCFKSA-N -1 3 256.305 1.914 20 10 CDCDHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(O)cc1SC ZINC000800842570 811883017 /nfs/dbraw/zinc/88/30/17/811883017.db2.gz YZFUBLIUOOQLKT-QMMMGPOBSA-N -1 3 291.394 1.891 20 10 CDCDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000185777123 811911992 /nfs/dbraw/zinc/91/19/92/811911992.db2.gz HUMZHDHNRXMZLA-NSHDSACASA-N -1 3 267.325 1.889 20 10 CDCDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000185777102 812017524 /nfs/dbraw/zinc/01/75/24/812017524.db2.gz HUMZHDHNRXMZLA-LLVKDONJSA-N -1 3 267.325 1.889 20 10 CDCDHM CC(=O)NCCN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000308251732 812031783 /nfs/dbraw/zinc/03/17/83/812031783.db2.gz BOOVWSJXJLZSGS-UHFFFAOYSA-N -1 3 298.770 1.816 20 10 CDCDHM C[C@H](N[C@H](CO)c1ccnn1C)c1c([O-])cccc1F ZINC000886639421 812176255 /nfs/dbraw/zinc/17/62/55/812176255.db2.gz CZCCARMDQKSTKG-GXSJLCMTSA-N -1 3 279.315 1.649 20 10 CDCDHM NC(=O)C1(NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000792175488 812469437 /nfs/dbraw/zinc/46/94/37/812469437.db2.gz VANIJOPCCHSWSA-UHFFFAOYSA-N -1 3 275.135 1.807 20 10 CDCDHM CN1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1(C)C ZINC000857213213 812834360 /nfs/dbraw/zinc/83/43/60/812834360.db2.gz HSSQFYMQLDALAA-UHFFFAOYSA-N -1 3 282.315 1.403 20 10 CDCDHM O=C(NCCc1ccc2c[nH]nc2c1)c1cccc(O)c1[O-] ZINC000803562517 813822657 /nfs/dbraw/zinc/82/26/57/813822657.db2.gz MUNVRZNKQZOCEF-UHFFFAOYSA-N -1 3 297.314 1.947 20 10 CDCDHM CCO[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126329365 813827109 /nfs/dbraw/zinc/82/71/09/813827109.db2.gz CEZDTCOTDHADDU-SNVBAGLBSA-N -1 3 265.309 1.739 20 10 CDCDHM CC(C)n1ccc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000790761058 814208181 /nfs/dbraw/zinc/20/81/81/814208181.db2.gz KUVSJQGPIKYYRU-UHFFFAOYSA-N -1 3 275.308 1.805 20 10 CDCDHM C[C@@H](O)CN(CC(F)F)C(=O)c1cccc(O)c1[O-] ZINC000837007005 814718780 /nfs/dbraw/zinc/71/87/80/814718780.db2.gz DZSHSVPKDQDKLL-SSDOTTSWSA-N -1 3 275.251 1.186 20 10 CDCDHM O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cccc(O)c1[O-] ZINC000839895868 816932145 /nfs/dbraw/zinc/93/21/45/816932145.db2.gz WGRHBIYSFWTIQL-GZMMTYOYSA-N -1 3 287.262 1.376 20 10 CDCDHM Cc1nnc([C@H](C)NC(=O)c2cccc(O)c2[O-])o1 ZINC000790881912 817300385 /nfs/dbraw/zinc/30/03/85/817300385.db2.gz HHHPKJDUOSUBFG-LURJTMIESA-N -1 3 263.253 1.280 20 10 CDCDHM COc1ccc(O)c(CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000780985231 817656501 /nfs/dbraw/zinc/65/65/01/817656501.db2.gz PZBDGGQQTFPHHP-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM CCC[C@H](CCO)NC(=O)c1cccc(O)c1[O-] ZINC000716949792 817680091 /nfs/dbraw/zinc/68/00/91/817680091.db2.gz UYJZOKYKZZZHJX-SECBINFHSA-N -1 3 253.298 1.379 20 10 CDCDHM CSc1nsc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790511748 817758906 /nfs/dbraw/zinc/75/89/06/817758906.db2.gz JCWRSLRUHKJSOQ-UHFFFAOYSA-N -1 3 283.334 1.924 20 10 CDCDHM Nc1cncc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC001176415901 914113185 /nfs/dbraw/zinc/11/31/85/914113185.db2.gz ZCFJCXMARKVOQU-UHFFFAOYSA-N -1 3 283.284 1.309 20 10 CDCDHM COC(=O)CCN(C)Cc1c(F)ccc(F)c1[O-] ZINC001139687859 936635933 /nfs/dbraw/zinc/63/59/33/936635933.db2.gz SDTMGHPSJSDTGS-UHFFFAOYSA-N -1 3 259.252 1.665 20 10 CDCDHM O=C1CCN(Cc2c([O-])cccc2Br)C1 ZINC001140101046 936679122 /nfs/dbraw/zinc/67/91/22/936679122.db2.gz HSULAFSMUNEJKX-UHFFFAOYSA-N -1 3 270.126 1.930 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140461233 936711945 /nfs/dbraw/zinc/71/19/45/936711945.db2.gz HQTGYYCSVDJKNV-GFCCVEGCSA-N -1 3 285.727 1.419 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CC[C@@H](O)[C@H](F)C1 ZINC001140461375 936712460 /nfs/dbraw/zinc/71/24/60/936712460.db2.gz JUJUXDGNPKLQBZ-GHMZBOCLSA-N -1 3 259.708 1.950 20 10 CDCDHM CN1CC2(CN(Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001273108513 922012377 /nfs/dbraw/zinc/01/23/77/922012377.db2.gz SPJDGVFOOTVPIJ-UHFFFAOYSA-N -1 3 296.754 1.089 20 10 CDCDHM CN(CCN1CCOCC1)Cc1c([O-])cccc1F ZINC001137831730 922457344 /nfs/dbraw/zinc/45/73/44/922457344.db2.gz LIXGYKATFOWILL-UHFFFAOYSA-N -1 3 268.332 1.295 20 10 CDCDHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(F)c(O)c(F)c1 ZINC001193265515 923576994 /nfs/dbraw/zinc/57/69/94/923576994.db2.gz XASXOLPBIOWGMM-MRVPVSSYSA-N -1 3 293.291 1.591 20 10 CDCDHM CC(C)(C)c1nnc(CNC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000837941759 936861881 /nfs/dbraw/zinc/86/18/81/936861881.db2.gz TYZYVTMZQWCGHF-UHFFFAOYSA-N -1 3 290.323 1.443 20 10 CDCDHM O=C(NCc1nnc(C2CC2)s1)c1cccc(O)c1[O-] ZINC000839906263 936928928 /nfs/dbraw/zinc/92/89/28/936928928.db2.gz JJMGGCOKRWUIQB-UHFFFAOYSA-N -1 3 291.332 1.757 20 10 CDCDHM C[C@@]1(CO)CN(Cc2cc(F)c(F)cc2[O-])CC[C@H]1O ZINC001142508869 937024609 /nfs/dbraw/zinc/02/46/09/937024609.db2.gz OLULNTWXSYMYSA-KGLIPLIRSA-N -1 3 287.306 1.236 20 10 CDCDHM Cc1ccc(C(=O)Nc2c3c(nn2C)CCC3)c([O-])c1O ZINC000780908619 937206607 /nfs/dbraw/zinc/20/66/07/937206607.db2.gz GCITWXITADSSCM-UHFFFAOYSA-N -1 3 287.319 1.881 20 10 CDCDHM CN1CC[C@]2(CCCN2Cc2c([O-])ccc(F)c2F)C1=O ZINC001274149079 931201028 /nfs/dbraw/zinc/20/10/28/931201028.db2.gz JBFZQUSBMUEJFE-OAHLLOKOSA-N -1 3 296.317 1.867 20 10 CDCDHM Cc1cc([O-])c(CN2C[C@H](CO)OC[C@@H]2C)cc1Cl ZINC000824934032 931486865 /nfs/dbraw/zinc/48/68/65/931486865.db2.gz OEVYFTBVTHBKEW-CMPLNLGQSA-N -1 3 285.771 1.936 20 10 CDCDHM CSc1nccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001148213179 932668371 /nfs/dbraw/zinc/66/83/71/932668371.db2.gz ZMNJFSLTZAHNKV-UHFFFAOYSA-N -1 3 277.305 1.862 20 10 CDCDHM CCN(CCn1cccn1)C(=O)c1cccc(O)c1[O-] ZINC001148219048 932669904 /nfs/dbraw/zinc/66/99/04/932669904.db2.gz SWYSNYLZJGQSAG-UHFFFAOYSA-N -1 3 275.308 1.457 20 10 CDCDHM CC(C)(C)c1nnc(NC(=O)c2cc(O)c([O-])c(O)c2)o1 ZINC001148582207 932751128 /nfs/dbraw/zinc/75/11/28/932751128.db2.gz ZZEXDSSXLAUEKE-UHFFFAOYSA-N -1 3 293.279 1.736 20 10 CDCDHM COc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)c(C)cn1 ZINC001148583269 932751293 /nfs/dbraw/zinc/75/12/93/932751293.db2.gz WEIKPFUNWLVQIY-UHFFFAOYSA-N -1 3 290.275 1.768 20 10 CDCDHM O=C(NCCOc1ccncc1)c1cc(O)c([O-])c(O)c1 ZINC001148590230 932754406 /nfs/dbraw/zinc/75/44/06/932754406.db2.gz FGTGPFXVTKTZPB-UHFFFAOYSA-N -1 3 290.275 1.007 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1CC(CO)C1 ZINC001203642100 939699452 /nfs/dbraw/zinc/69/94/52/939699452.db2.gz FOXBRVYEGNZUSM-UHFFFAOYSA-N -1 3 272.142 1.579 20 10 CDCDHM O=C(NCCC[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000401402821 940868963 /nfs/dbraw/zinc/86/89/63/940868963.db2.gz PBWBDNQGCMPZQU-SNVBAGLBSA-N -1 3 265.309 1.644 20 10 CDCDHM CCOC(=O)c1cc(NC(=O)Cc2ccc(N)cc2)[n-]n1 ZINC001218509291 941226816 /nfs/dbraw/zinc/22/68/16/941226816.db2.gz KKFYSWIWPLCPKE-UHFFFAOYSA-N -1 3 288.307 1.350 20 10 CDCDHM CCOC(=O)c1cc(NC(=O)Cc2ccc(N)cc2)n[n-]1 ZINC001218509291 941226818 /nfs/dbraw/zinc/22/68/18/941226818.db2.gz KKFYSWIWPLCPKE-UHFFFAOYSA-N -1 3 288.307 1.350 20 10 CDCDHM C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1[O-] ZINC001231883157 943039079 /nfs/dbraw/zinc/03/90/79/943039079.db2.gz ZXXISALCDIHHJD-NSHDSACASA-N -1 3 270.332 1.866 20 10 CDCDHM COc1cc([O-])c(CN2CCN(C(C)=O)CC2)c(Cl)c1 ZINC001236795494 944570712 /nfs/dbraw/zinc/57/07/12/944570712.db2.gz MUDBPRACNUNIPY-UHFFFAOYSA-N -1 3 298.770 1.718 20 10 CDCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@H](O)[C@H](CO)C1 ZINC001237119734 944661392 /nfs/dbraw/zinc/66/13/92/944661392.db2.gz FEDNSYGZTNYBAU-KWQFWETISA-N -1 3 289.734 1.360 20 10 CDCDHM CN1CCC2(CN(Cc3cc(F)c(Cl)cc3[O-])C2)C1=O ZINC001237943908 945009802 /nfs/dbraw/zinc/00/98/02/945009802.db2.gz QPMACEYSUISIOJ-UHFFFAOYSA-N -1 3 298.745 1.849 20 10 CDCDHM C[C@@H]([NH2+]CC1(CO)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248723 994473489 /nfs/dbraw/zinc/47/34/89/994473489.db2.gz LIWKDAGBMVCXDL-SECBINFHSA-N -1 3 265.309 1.514 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001599680291 994968655 /nfs/dbraw/zinc/96/86/55/994968655.db2.gz KAGDXFIIROBCDT-VHSXEESVSA-N -1 3 265.309 1.696 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001599680291 994968664 /nfs/dbraw/zinc/96/86/64/994968664.db2.gz KAGDXFIIROBCDT-VHSXEESVSA-N -1 3 265.309 1.696 20 10 CDCDHM C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593360527 995024125 /nfs/dbraw/zinc/02/41/25/995024125.db2.gz SURDIQCBWLYLGC-QNSHHTMESA-N -1 3 251.282 1.264 20 10 CDCDHM COc1cc(C)c(CN2CC[C@@](F)(C(=O)[O-])C2)c(O)c1 ZINC001599391331 997043084 /nfs/dbraw/zinc/04/30/84/997043084.db2.gz REIVTCHFKWIDML-AWEZNQCLSA-N -1 3 283.299 1.708 20 10 CDCDHM CC1(C)COCCN1C(=O)c1cccc(O)c1[O-] ZINC000126285043 260349535 /nfs/dbraw/zinc/34/95/35/260349535.db2.gz MUJABJNVVVKFJI-UHFFFAOYSA-N -1 3 251.282 1.349 20 10 CDCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)O1 ZINC000193063079 358261495 /nfs/dbraw/zinc/26/14/95/358261495.db2.gz QRWKVVRUYLIGCD-ZJUUUORDSA-N -1 3 265.309 1.737 20 10 CDCDHM C[C@H]1[C@@H](NCc2cccc(F)c2[O-])CCS1(=O)=O ZINC000294003128 358555686 /nfs/dbraw/zinc/55/56/86/358555686.db2.gz SWAFGMYNCCATAM-KWQFWETISA-N -1 3 273.329 1.197 20 10 CDCDHM Cc1nnc(NC(=O)c2ccc(C)c(O)c2[O-])n1C ZINC000273237750 365481787 /nfs/dbraw/zinc/48/17/87/365481787.db2.gz WGXSQYYBTPEBGK-UHFFFAOYSA-N -1 3 262.269 1.095 20 10 CDCDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCCF ZINC000282864646 368075302 /nfs/dbraw/zinc/07/53/02/368075302.db2.gz UUQFQUXTZLIHBW-RKDXNWHRSA-N -1 3 299.302 1.425 20 10 CDCDHM CCOC1CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000294748930 371088224 /nfs/dbraw/zinc/08/82/24/371088224.db2.gz INMXTJFTAOPIMJ-UHFFFAOYSA-N -1 3 251.282 1.267 20 10 CDCDHM Cc1ccc(C(=O)N(C)CCn2cccn2)c([O-])c1O ZINC000182424567 391234717 /nfs/dbraw/zinc/23/47/17/391234717.db2.gz MBMOCJNCANLWAV-UHFFFAOYSA-N -1 3 275.308 1.375 20 10 CDCDHM CCN(Cc1cc(F)ccc1[O-])[C@H]1CCNC1=O ZINC000281905232 391422682 /nfs/dbraw/zinc/42/26/82/391422682.db2.gz ZMFUMJBOZDXVHP-NSHDSACASA-N -1 3 252.289 1.242 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c([O-])c1O ZINC000368084684 267145671 /nfs/dbraw/zinc/14/56/71/267145671.db2.gz HMFNBTGAPHZEDT-NWDGAFQWSA-N -1 3 291.347 1.905 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1c1ncon1 ZINC000369841352 267270596 /nfs/dbraw/zinc/27/05/96/267270596.db2.gz QHRBPQBFISYZEA-NSHDSACASA-N -1 3 279.271 1.488 20 10 CDCDHM COC(=O)C[C@H]1COCCN1Cc1ccccc1[O-] ZINC000377831695 329031281 /nfs/dbraw/zinc/03/12/81/329031281.db2.gz APLPYXOERZSJGP-LBPRGKRZSA-N -1 3 265.309 1.156 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1COCCN1 ZINC000530246864 333529725 /nfs/dbraw/zinc/52/97/25/333529725.db2.gz LMBWXKARMLDSOL-MRVPVSSYSA-N -1 3 274.723 1.263 20 10 CDCDHM CCOC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](C)CC ZINC000279361970 521266165 /nfs/dbraw/zinc/26/61/65/521266165.db2.gz SUOVJPCQXYYWPI-JOYOIKCWSA-N -1 3 295.335 1.805 20 10 CDCDHM CCN1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276512647 521655793 /nfs/dbraw/zinc/65/57/93/521655793.db2.gz DYOFCGLOLQKXSI-VIFPVBQESA-N -1 3 282.315 1.451 20 10 CDCDHM COc1c([O-])c(CN2CCOC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000364857216 521869768 /nfs/dbraw/zinc/86/97/68/521869768.db2.gz KFMQMPVRBKXUIE-SNVBAGLBSA-N -1 3 296.323 1.777 20 10 CDCDHM COc1c([O-])c(CN2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278194998 521871436 /nfs/dbraw/zinc/87/14/36/521871436.db2.gz IMSFCEJQARYUSB-SNVBAGLBSA-N -1 3 296.323 1.920 20 10 CDCDHM COc1c([O-])c(CN(CCO)C2CC2)ccc1[N+](=O)[O-] ZINC000278161746 521871980 /nfs/dbraw/zinc/87/19/80/521871980.db2.gz DOOBRTFEWRJYQV-UHFFFAOYSA-N -1 3 282.296 1.266 20 10 CDCDHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCO1 ZINC000279460516 522340810 /nfs/dbraw/zinc/34/08/10/522340810.db2.gz MQDHWIRWFYENPF-PWSUYJOCSA-N -1 3 281.308 1.022 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCSC1 ZINC000126248423 523944478 /nfs/dbraw/zinc/94/44/78/523944478.db2.gz MUSYAPBGESDPRD-QMMMGPOBSA-N -1 3 253.323 1.675 20 10 CDCDHM CO[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187217999 523971522 /nfs/dbraw/zinc/97/15/22/523971522.db2.gz MSZVQDOURUVULK-VIFPVBQESA-N -1 3 251.282 1.349 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@H](OCCO)C2)c([O-])c1O ZINC000272806059 526104695 /nfs/dbraw/zinc/10/46/95/526104695.db2.gz ZKKIXYHTNUBLAT-NSHDSACASA-N -1 3 295.335 1.020 20 10 CDCDHM O=C(N[C@@H](CO)C1CCCC1)c1cccc(O)c1[O-] ZINC000291364306 526857572 /nfs/dbraw/zinc/85/75/72/526857572.db2.gz VQHVUJKFPQCGLX-NSHDSACASA-N -1 3 265.309 1.379 20 10 CDCDHM CC(C)(C)OC(=O)COC(=O)c1cc([O-])cs1 ZINC000731909797 575070504 /nfs/dbraw/zinc/07/05/04/575070504.db2.gz KPSYEYQHKLHBCI-UHFFFAOYSA-N -1 3 258.295 1.952 20 10 CDCDHM COCCCN(CCOC)C(=O)c1cc([O-])cs1 ZINC000732275052 575085641 /nfs/dbraw/zinc/08/56/41/575085641.db2.gz QYVUCAQUUCRMNC-UHFFFAOYSA-N -1 3 273.354 1.579 20 10 CDCDHM CC1(C)CN(CCNC(=O)c2cc([O-])cs2)CCO1 ZINC000732283744 575086754 /nfs/dbraw/zinc/08/67/54/575086754.db2.gz VDHRYLJRZZDCPT-UHFFFAOYSA-N -1 3 284.381 1.294 20 10 CDCDHM CC(C)(C)[S@@](=O)CCNC(=O)c1cc([O-])cs1 ZINC000732830416 575097568 /nfs/dbraw/zinc/09/75/68/575097568.db2.gz IZGBVPFHQXHZHW-KRWDZBQOSA-N -1 3 275.395 1.731 20 10 CDCDHM CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000733368907 575117389 /nfs/dbraw/zinc/11/73/89/575117389.db2.gz DHGUGYQVHARMGZ-SSDOTTSWSA-N -1 3 277.367 1.007 20 10 CDCDHM COC(=O)[C@H]1CC12CCN(C(=O)c1cc([O-])cs1)CC2 ZINC000733813584 575139187 /nfs/dbraw/zinc/13/91/87/575139187.db2.gz WLVRWNXAYCZYJE-SNVBAGLBSA-N -1 3 295.360 1.869 20 10 CDCDHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000743482149 576642109 /nfs/dbraw/zinc/64/21/09/576642109.db2.gz OOWBCPRAAIDJHK-PELKAZGASA-N -1 3 257.355 1.981 20 10 CDCDHM COc1ccc(O)c(CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737107275 575825454 /nfs/dbraw/zinc/82/54/54/575825454.db2.gz AFERCHJHVNEJIO-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1ccc(O)c(CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737107275 575825458 /nfs/dbraw/zinc/82/54/58/575825458.db2.gz AFERCHJHVNEJIO-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM CSC[C@@H](CCO)NC(=O)c1cc([O-])cs1 ZINC000765257624 576001948 /nfs/dbraw/zinc/00/19/48/576001948.db2.gz OYPXWAGIOJPYEW-SSDOTTSWSA-N -1 3 261.368 1.298 20 10 CDCDHM CCOc1ccc(CN2CCNC(=O)[C@@H]2C(C)C)c([O-])c1 ZINC000769326822 576345989 /nfs/dbraw/zinc/34/59/89/576345989.db2.gz HUKUIBPUTHTDGQ-HNNXBMFYSA-N -1 3 292.379 1.747 20 10 CDCDHM CCOc1ccc(CN2CCO[C@H](COC)C2)c([O-])c1 ZINC000769460477 576355878 /nfs/dbraw/zinc/35/58/78/576355878.db2.gz JRXWRXKISDMXPI-AWEZNQCLSA-N -1 3 281.352 1.638 20 10 CDCDHM CN1CCO[C@H]2CN(Cc3cc(Cl)ccc3[O-])C[C@H]21 ZINC000769484165 576358179 /nfs/dbraw/zinc/35/81/79/576358179.db2.gz SMAHRYVYNGUWAL-OCCSQVGLSA-N -1 3 282.771 1.560 20 10 CDCDHM CN1C(=O)C2(CCCC2)N[C@H]1c1cc2c(cc1[O-])OCO2 ZINC000742439115 576603264 /nfs/dbraw/zinc/60/32/64/576603264.db2.gz IIJPPZZVFXLIDU-CYBMUJFWSA-N -1 3 290.319 1.494 20 10 CDCDHM CC(C)[C@H](NC(=O)c1cc([O-])cs1)C(=O)N1CCCC1 ZINC000743594101 576646310 /nfs/dbraw/zinc/64/63/10/576646310.db2.gz NNKDQKCZLAUDGO-LBPRGKRZSA-N -1 3 296.392 1.831 20 10 CDCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])CC(=O)N1 ZINC000826064530 630648441 /nfs/dbraw/zinc/64/84/41/630648441.db2.gz LBFUXUNOVYWSTM-QMMMGPOBSA-N -1 3 299.168 1.475 20 10 CDCDHM C[C@H]([NH2+]CC1(C)COC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589976457 1173219800 /nfs/dbraw/zinc/21/98/00/1173219800.db2.gz FUZXRINAXKWHRO-VIFPVBQESA-N -1 3 289.339 1.259 20 10 CDCDHM Cc1cccc(O)c1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001607858266 1164314236 /nfs/dbraw/zinc/31/42/36/1164314236.db2.gz LUXRWCJAVWZBFU-MFKMUULPSA-N -1 3 265.309 1.375 20 10 CDCDHM O=S(=O)(Nc1ccc(O)cc1)c1ccc([O-])cc1 ZINC000049050281 1166526721 /nfs/dbraw/zinc/52/67/21/1166526721.db2.gz BCWUBVCTPGTFQT-UHFFFAOYSA-N -1 3 265.290 1.899 20 10 CDCDHM O=C(NCCN1Cc2ccccc2C1)c1cccc(O)c1[O-] ZINC000790590798 818329998 /nfs/dbraw/zinc/32/99/98/818329998.db2.gz SUMYPPVEBSIHDK-UHFFFAOYSA-N -1 3 298.342 1.843 20 10 CDCDHM CCNC(=O)CN(C)Cc1c([O-])cccc1Cl ZINC000133182220 819134566 /nfs/dbraw/zinc/13/45/66/819134566.db2.gz LQSYBLMZAATPCL-UHFFFAOYSA-N -1 3 256.733 1.614 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCc2nn[nH]c2C1 ZINC000827884795 819191843 /nfs/dbraw/zinc/19/18/43/819191843.db2.gz IGLYGPQSWPQIRR-UHFFFAOYSA-N -1 3 264.716 1.722 20 10 CDCDHM C[C@@H](N[C@@H](CO)c1ccnn1C)c1c([O-])cccc1F ZINC000886639422 819671268 /nfs/dbraw/zinc/67/12/68/819671268.db2.gz CZCCARMDQKSTKG-KOLCDFICSA-N -1 3 279.315 1.649 20 10 CDCDHM CCOCCONC(=O)c1ccc(C)c(O)c1[O-] ZINC000775234555 819873614 /nfs/dbraw/zinc/87/36/14/819873614.db2.gz LTRKLTLXQMLBNP-UHFFFAOYSA-N -1 3 255.270 1.104 20 10 CDCDHM COC(=O)N1CC(NCc2cc(F)cc(F)c2[O-])C1 ZINC000883051390 820063733 /nfs/dbraw/zinc/06/37/33/820063733.db2.gz ZPIVHJMLRFHDJE-UHFFFAOYSA-N -1 3 272.251 1.211 20 10 CDCDHM CCn1ncnc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000794843738 820547505 /nfs/dbraw/zinc/54/75/05/820547505.db2.gz XRBQHGGVRLKLQV-SECBINFHSA-N -1 3 264.304 1.994 20 10 CDCDHM O=C(N[C@@H](CO)c1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000790916695 821399202 /nfs/dbraw/zinc/39/92/02/821399202.db2.gz MZACUBMESGZHGJ-LBPRGKRZSA-N -1 3 291.278 1.700 20 10 CDCDHM O=C1[C@@H](NCc2cc(F)cc(F)c2[O-])CCN1C1CCC1 ZINC000883191704 821854078 /nfs/dbraw/zinc/85/40/78/821854078.db2.gz HNIJOJNQSZLJCC-ZDUSSCGKSA-N -1 3 296.317 1.913 20 10 CDCDHM Cn1nncc1CNCc1cccc(Br)c1[O-] ZINC000394869721 821879339 /nfs/dbraw/zinc/87/93/39/821879339.db2.gz BDJUTKXJQCSNTL-UHFFFAOYSA-N -1 3 297.156 1.573 20 10 CDCDHM CCn1nccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780919966 822538800 /nfs/dbraw/zinc/53/88/00/822538800.db2.gz ZPOTVDSHQQTVHT-UHFFFAOYSA-N -1 3 261.281 1.875 20 10 CDCDHM CN(CC1=CCCOC1)C(=O)c1cccc(O)c1[O-] ZINC000696901411 906441735 /nfs/dbraw/zinc/44/17/35/906441735.db2.gz FBULXVVTUDANDN-UHFFFAOYSA-N -1 3 263.293 1.517 20 10 CDCDHM CN(CCC1OCCO1)Cc1c(F)ccc(F)c1[O-] ZINC001139686377 936634594 /nfs/dbraw/zinc/63/45/94/936634594.db2.gz WWCRAFJLBCJSQW-UHFFFAOYSA-N -1 3 273.279 1.865 20 10 CDCDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])cc(F)cc1F ZINC001140581244 936727238 /nfs/dbraw/zinc/72/72/38/936727238.db2.gz SKHYOYDAFNZPAP-CHWSQXEVSA-N -1 3 296.317 1.866 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC001137837503 922978110 /nfs/dbraw/zinc/97/81/10/922978110.db2.gz JLHGHDWRJXEHHJ-ZDUSSCGKSA-N -1 3 294.370 1.828 20 10 CDCDHM Cc1nccn1CCNC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193625375 923815604 /nfs/dbraw/zinc/81/56/04/923815604.db2.gz HPRZQSLWVJGUCT-UHFFFAOYSA-N -1 3 295.726 1.686 20 10 CDCDHM CC(=O)N(C)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000776341295 926751071 /nfs/dbraw/zinc/75/10/71/926751071.db2.gz IHFHFTLMMDVADM-UHFFFAOYSA-N -1 3 292.335 1.181 20 10 CDCDHM CN1C(=O)CS/C1=C\C(=O)NCc1c([O-])cccc1F ZINC001156170486 927347321 /nfs/dbraw/zinc/34/73/21/927347321.db2.gz OCRQRHXDTRSBTE-ACAGNQJTSA-N -1 3 296.323 1.194 20 10 CDCDHM O=C(Nc1nnc(-c2ccco2)o1)c1cccc(O)c1[O-] ZINC001148213118 932668797 /nfs/dbraw/zinc/66/87/97/932668797.db2.gz WHWZELJVROKTTH-UHFFFAOYSA-N -1 3 287.231 1.993 20 10 CDCDHM CC(=O)CC(C)(C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590349 932754640 /nfs/dbraw/zinc/75/46/40/932754640.db2.gz IHOMEJPKXXLDRO-UHFFFAOYSA-N -1 3 267.281 1.291 20 10 CDCDHM COCC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231447292 942894119 /nfs/dbraw/zinc/89/41/19/942894119.db2.gz RJADIDNNKILYLW-UHFFFAOYSA-N -1 3 279.336 1.949 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c([O-])c1 ZINC001231455945 942899098 /nfs/dbraw/zinc/89/90/98/942899098.db2.gz YUHXGRKKPJZBFT-GXTWGEPZSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c([O-])c1 ZINC001231455945 942899102 /nfs/dbraw/zinc/89/91/02/942899102.db2.gz YUHXGRKKPJZBFT-GXTWGEPZSA-N -1 3 277.320 1.701 20 10 CDCDHM CCC[N@H+](CCOC)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561278 942928016 /nfs/dbraw/zinc/92/80/16/942928016.db2.gz UBAPSYURPRRHCN-UHFFFAOYSA-N -1 3 267.325 1.949 20 10 CDCDHM CCC[N@@H+](CCOC)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561278 942928024 /nfs/dbraw/zinc/92/80/24/942928024.db2.gz UBAPSYURPRRHCN-UHFFFAOYSA-N -1 3 267.325 1.949 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCCC[C@H](O)C2)c1 ZINC001231561793 942928344 /nfs/dbraw/zinc/92/83/44/942928344.db2.gz ZSEKZCLCJOOPKD-LBPRGKRZSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCCC[C@H](O)C2)c1 ZINC001231561793 942928346 /nfs/dbraw/zinc/92/83/46/942928346.db2.gz ZSEKZCLCJOOPKD-LBPRGKRZSA-N -1 3 265.309 1.437 20 10 CDCDHM CCN(Cc1cc(C(=O)[O-])ccc1O)C1CN(C)C1 ZINC001231566919 942932937 /nfs/dbraw/zinc/93/29/37/942932937.db2.gz UCTPYIGMTKFLAX-UHFFFAOYSA-N -1 3 264.325 1.226 20 10 CDCDHM CCN1C(=O)CN(Cc2c([O-])ccc3ccccc32)CC1=O ZINC001231586727 942935732 /nfs/dbraw/zinc/93/57/32/942935732.db2.gz LCMSOQXULFECIE-UHFFFAOYSA-N -1 3 298.342 1.736 20 10 CDCDHM Cc1cc([O-])c(CN2CCN(C#N)CC2)cc1Cl ZINC001231870901 943035802 /nfs/dbraw/zinc/03/58/02/943035802.db2.gz DBHPHOQZCALBDZ-UHFFFAOYSA-N -1 3 265.744 1.953 20 10 CDCDHM CCN(CC(=O)OC)Cc1cc(Cl)c([O-])cc1O ZINC001232265000 943195567 /nfs/dbraw/zinc/19/55/67/943195567.db2.gz MYPIAFWXBYQDDP-UHFFFAOYSA-N -1 3 273.716 1.746 20 10 CDCDHM COC(=O)[C@@H](C)N(C)Cc1cc(Cl)c([O-])cc1O ZINC001232269126 943196182 /nfs/dbraw/zinc/19/61/82/943196182.db2.gz WJMQMXIUONCQSO-SSDOTTSWSA-N -1 3 273.716 1.745 20 10 CDCDHM CC(=O)N(C)C1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232266947 943196576 /nfs/dbraw/zinc/19/65/76/943196576.db2.gz GGGQHTTXKBVSDT-UHFFFAOYSA-N -1 3 284.743 1.414 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CNCc1nnc(C2CC2)[nH]1 ZINC001308783988 956576959 /nfs/dbraw/zinc/57/69/59/956576959.db2.gz BTMMFGPVQRPNGR-UHFFFAOYSA-N -1 3 280.278 1.956 20 10 CDCDHM C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246015 994444643 /nfs/dbraw/zinc/44/46/43/994444643.db2.gz FZTLAOSVYUCUPZ-FZZIBODNSA-N -1 3 295.335 1.281 20 10 CDCDHM C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256440 994521847 /nfs/dbraw/zinc/52/18/47/994521847.db2.gz HRGMCHYRIOBDRH-MWLCHTKSSA-N -1 3 265.309 1.920 20 10 CDCDHM C[C@H]([NH2+]CCc1cn[nH]c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593276126 994631059 /nfs/dbraw/zinc/63/10/59/994631059.db2.gz WXXPNXLEUNFTMT-VIFPVBQESA-N -1 3 275.308 1.707 20 10 CDCDHM COCCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599226611 997770435 /nfs/dbraw/zinc/77/04/35/997770435.db2.gz CKBRADYYSDFIIR-SECBINFHSA-N -1 3 253.298 1.778 20 10 CDCDHM Cc1ccc2c(n1)OCCN2C(=O)/C=C\c1cncc([O-])c1 ZINC000492992412 366188438 /nfs/dbraw/zinc/18/84/38/366188438.db2.gz IJDDFLQDOSENLA-HYXAFXHYSA-N -1 3 297.314 1.929 20 10 CDCDHM CS(=O)(=O)CCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000037740532 356921883 /nfs/dbraw/zinc/92/18/83/356921883.db2.gz OMXFKQZWTZLLGS-UHFFFAOYSA-N -1 3 298.191 1.833 20 10 CDCDHM COCCN(CC(=O)OC)Cc1cc(F)ccc1[O-] ZINC000180157628 357247416 /nfs/dbraw/zinc/24/74/16/357247416.db2.gz VXLACCYOERGDJM-UHFFFAOYSA-N -1 3 271.288 1.153 20 10 CDCDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(F)ccc1[O-] ZINC000180157965 357247433 /nfs/dbraw/zinc/24/74/33/357247433.db2.gz QTTUROQKOSBFIS-JTQLQIEISA-N -1 3 289.372 1.786 20 10 CDCDHM CNC(=O)C1CN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000297290656 200136965 /nfs/dbraw/zinc/13/69/65/200136965.db2.gz AWBXDRPCYOGBQT-UHFFFAOYSA-N -1 3 284.743 1.232 20 10 CDCDHM CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000026479546 367740622 /nfs/dbraw/zinc/74/06/22/367740622.db2.gz YUUKDPQTAYRLMH-UHFFFAOYSA-N -1 3 286.353 1.292 20 10 CDCDHM CC(C)NC(=O)OC1CN(Cc2cc(F)ccc2[O-])C1 ZINC000297485145 371995685 /nfs/dbraw/zinc/99/56/85/371995685.db2.gz UOKUJPPBLHBCKE-UHFFFAOYSA-N -1 3 282.315 1.850 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@]3(CCOC3)C2)c([O-])c1O ZINC000179543350 372993873 /nfs/dbraw/zinc/99/38/73/372993873.db2.gz PILJWHRSMNBRRA-HNNXBMFYSA-N -1 3 277.320 1.659 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nc[nH]n2)c1[O-] ZINC000177147745 391165036 /nfs/dbraw/zinc/16/50/36/391165036.db2.gz FDOUNTMWCMLBRU-UHFFFAOYSA-N -1 3 278.287 1.484 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nnc[nH]2)c1[O-] ZINC000177147745 391165039 /nfs/dbraw/zinc/16/50/39/391165039.db2.gz FDOUNTMWCMLBRU-UHFFFAOYSA-N -1 3 278.287 1.484 20 10 CDCDHM Cc1ccc(C(=O)N2CCO[C@H](C)C2)c([O-])c1O ZINC000177665586 391174164 /nfs/dbraw/zinc/17/41/64/391174164.db2.gz QVAUXUOWZGTGOW-SECBINFHSA-N -1 3 251.282 1.267 20 10 CDCDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCCC[C@@H]1O ZINC000185794728 262071610 /nfs/dbraw/zinc/07/16/10/262071610.db2.gz XDYACQMHRYIXNN-WFASDCNBSA-N -1 3 279.336 1.769 20 10 CDCDHM COC[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272546871 263006674 /nfs/dbraw/zinc/00/66/74/263006674.db2.gz AFNQIEOQQNYSIH-SNVBAGLBSA-N -1 3 265.309 1.515 20 10 CDCDHM CC[C@@H]1C(=O)NCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000106361393 276540761 /nfs/dbraw/zinc/54/07/61/276540761.db2.gz QHAWWGNKRWLJCM-CYBMUJFWSA-N -1 3 294.326 1.444 20 10 CDCDHM CC(C)CN1CC(=O)N[C@@H]1c1cc2c(cc1[O-])OCO2 ZINC000299212174 277382388 /nfs/dbraw/zinc/38/23/88/277382388.db2.gz DRJYHAQBMJSDJU-AWEZNQCLSA-N -1 3 278.308 1.207 20 10 CDCDHM C[C@]1(CO)CN(Cc2cc(Cl)ccc2[O-])C[C@@]1(C)CO ZINC000529668955 281351790 /nfs/dbraw/zinc/35/17/90/281351790.db2.gz QQSAVJZXAONNOB-GASCZTMLSA-N -1 3 299.798 1.858 20 10 CDCDHM CCOCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590813293 1173520020 /nfs/dbraw/zinc/52/00/20/1173520020.db2.gz LGYGXLBVZBXKDH-SECBINFHSA-N -1 3 277.328 1.259 20 10 CDCDHM COC(=O)C(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000275101554 330109185 /nfs/dbraw/zinc/10/91/85/330109185.db2.gz IVWUHMRTLFBNBC-UHFFFAOYSA-N -1 3 267.281 1.027 20 10 CDCDHM COC(=O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000279882091 523287255 /nfs/dbraw/zinc/28/72/55/523287255.db2.gz RUZJPYZUGKRPRV-VIFPVBQESA-N -1 3 279.292 1.266 20 10 CDCDHM COC(=O)C[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000127213535 523353444 /nfs/dbraw/zinc/35/34/44/523353444.db2.gz JVBYRAZONWMEDA-JTQLQIEISA-N -1 3 299.754 1.810 20 10 CDCDHM COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000126350542 523894693 /nfs/dbraw/zinc/89/46/93/523894693.db2.gz WNSMPZQDXDDTLZ-JTQLQIEISA-N -1 3 281.308 1.415 20 10 CDCDHM CS(=O)(=O)[C@@H]1CCCCN(Cc2ccccc2[O-])C1 ZINC000278620390 525232242 /nfs/dbraw/zinc/23/22/42/525232242.db2.gz HISGZBMLUUIQED-CYBMUJFWSA-N -1 3 283.393 1.791 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H](C)[S@@](=O)CC2)c([O-])c1O ZINC000277458628 526127232 /nfs/dbraw/zinc/12/72/32/526127232.db2.gz GIHURRNAGABGGL-FVINQWEUSA-N -1 3 297.376 1.389 20 10 CDCDHM O=C(NCCN1CCCCCC1)c1c(F)ccc(O)c1[O-] ZINC000276614047 526309986 /nfs/dbraw/zinc/30/99/86/526309986.db2.gz TUTLEGZRTXUEOO-UHFFFAOYSA-N -1 3 296.342 1.843 20 10 CDCDHM O=C1CN(Cc2cc3c(cc2[O-])OCO3)CN1CC1CC1 ZINC000279513481 527003091 /nfs/dbraw/zinc/00/30/91/527003091.db2.gz XPBNUIDZEGJNRH-UHFFFAOYSA-N -1 3 290.319 1.133 20 10 CDCDHM O=C(N[C@H]1CCc2c[nH]nc2C1)c1cccc(O)c1[O-] ZINC000365760073 527069670 /nfs/dbraw/zinc/06/96/70/527069670.db2.gz XHLUPUIGWBIXKF-VIFPVBQESA-N -1 3 273.292 1.108 20 10 CDCDHM O=C(NCC1(CCO)CCCC1)c1cccc(O)c1[O-] ZINC000279277597 527566477 /nfs/dbraw/zinc/56/64/77/527566477.db2.gz LDSSVKMOVUYVCB-UHFFFAOYSA-N -1 3 279.336 1.770 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000752630922 574715936 /nfs/dbraw/zinc/71/59/36/574715936.db2.gz OYJFXKCDGGBRGS-SNVBAGLBSA-N -1 3 292.364 1.598 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000732300932 575085963 /nfs/dbraw/zinc/08/59/63/575085963.db2.gz YEHRIPDMMLSMCQ-SNVBAGLBSA-N -1 3 294.376 1.681 20 10 CDCDHM COC(=O)CCSCCNC(=O)c1cc([O-])cs1 ZINC000733809520 575139067 /nfs/dbraw/zinc/13/90/67/575139067.db2.gz TUWPMMQQYSUVFA-UHFFFAOYSA-N -1 3 289.378 1.480 20 10 CDCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC[C@@H]1CCCO1 ZINC000734190406 575161756 /nfs/dbraw/zinc/16/17/56/575161756.db2.gz WJPBSIGINMNUON-SCZZXKLOSA-N -1 3 299.348 1.294 20 10 CDCDHM CC1N=NC(=S)N1CCNC(=O)c1cc([O-])cs1 ZINC000743500895 576643061 /nfs/dbraw/zinc/64/30/61/576643061.db2.gz YWVOHFGHROPIAF-UHFFFAOYSA-N -1 3 284.366 1.072 20 10 CDCDHM COc1cccc([O-])c1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000770303710 575437552 /nfs/dbraw/zinc/43/75/52/575437552.db2.gz IUCGKXKYANEMED-HOTGVXAUSA-N -1 3 293.363 1.781 20 10 CDCDHM CC(C)[N@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OCO2 ZINC000736467751 575671138 /nfs/dbraw/zinc/67/11/38/575671138.db2.gz FBQZRXPHYHTZPD-UHFFFAOYSA-N -1 3 281.308 1.806 20 10 CDCDHM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OCO2 ZINC000736467751 575671140 /nfs/dbraw/zinc/67/11/40/575671140.db2.gz FBQZRXPHYHTZPD-UHFFFAOYSA-N -1 3 281.308 1.806 20 10 CDCDHM COCC[C@@]1(NC(=O)c2ccc(C)c(O)c2[O-])CCOC1 ZINC000773329927 575802194 /nfs/dbraw/zinc/80/21/94/575802194.db2.gz BIXZYUKPFGKCFS-OAHLLOKOSA-N -1 3 295.335 1.332 20 10 CDCDHM CCOc1ccc(CN(C)[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000768138540 576259972 /nfs/dbraw/zinc/25/99/72/576259972.db2.gz OJSLYWNGWFVYQN-GFCCVEGCSA-N -1 3 299.392 1.410 20 10 CDCDHM C[C@@H](N[C@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760041248 576453946 /nfs/dbraw/zinc/45/39/46/576453946.db2.gz XIETWLFTAWTHJL-SFYZADRCSA-N -1 3 290.266 1.967 20 10 CDCDHM CC(C)OC[C@H](CO)N(C)C(=O)c1cc([O-])cs1 ZINC000762920987 576692636 /nfs/dbraw/zinc/69/26/36/576692636.db2.gz OELYVNZNJYADLM-VIFPVBQESA-N -1 3 273.354 1.312 20 10 CDCDHM CNC(=O)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000746409387 576775328 /nfs/dbraw/zinc/77/53/28/576775328.db2.gz AGKZLQWVDCENLB-UHFFFAOYSA-N -1 3 282.365 1.442 20 10 CDCDHM O=C(NC[C@H]1CCCC[C@@H]1O)c1cc([O-])cs1 ZINC000754907132 576921564 /nfs/dbraw/zinc/92/15/64/576921564.db2.gz NTRCSALRYVKFML-SCZZXKLOSA-N -1 3 255.339 1.735 20 10 CDCDHM O=C(NCc1ncccc1F)c1cc([O-])cs1 ZINC000752626405 577116013 /nfs/dbraw/zinc/11/60/13/577116013.db2.gz BVAGHICGGWPESU-UHFFFAOYSA-N -1 3 252.270 1.918 20 10 CDCDHM CO[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C1(C)C ZINC000753341866 577162147 /nfs/dbraw/zinc/16/21/47/577162147.db2.gz NJCXMJQFJVLLMS-NXEZZACHSA-N -1 3 255.339 1.997 20 10 CDCDHM COCCN(CCO)Cc1cc(F)cc(F)c1[O-] ZINC000893995243 618236436 /nfs/dbraw/zinc/23/64/36/618236436.db2.gz INQUQZKKMFOUMJ-UHFFFAOYSA-N -1 3 261.268 1.111 20 10 CDCDHM O=C([O-])[C@@H]1CSCC[N@H+](Cc2ccccc2[O-])C1 ZINC000901892684 618321213 /nfs/dbraw/zinc/32/12/13/618321213.db2.gz VKUNJQGHSPWBHG-NSHDSACASA-N -1 3 267.350 1.642 20 10 CDCDHM O=C([O-])[C@@H]1CSCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000901892684 618321221 /nfs/dbraw/zinc/32/12/21/618321221.db2.gz VKUNJQGHSPWBHG-NSHDSACASA-N -1 3 267.350 1.642 20 10 CDCDHM COc1ccc(N2CC[C@@H](Nc3cc(=O)[n-]cn3)C2)cc1 ZINC000894484321 618912816 /nfs/dbraw/zinc/91/28/16/618912816.db2.gz FNKLCZHZOOBYTE-LLVKDONJSA-N -1 3 286.335 1.882 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@@H]1O ZINC000894497751 618917905 /nfs/dbraw/zinc/91/79/05/618917905.db2.gz PXGURUNVHIQPHX-PELKAZGASA-N -1 3 257.280 1.873 20 10 CDCDHM C[C@@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000895328907 619567651 /nfs/dbraw/zinc/56/76/51/619567651.db2.gz HLFXFETWLAVVRW-MFKMUULPSA-N -1 3 289.734 1.502 20 10 CDCDHM CC[C@@H]([NH2+][C@@H](CC)CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590472273 1173425893 /nfs/dbraw/zinc/42/58/93/1173425893.db2.gz RFRORQAZZKMDEK-JOYOIKCWSA-N -1 3 291.355 1.384 20 10 CDCDHM Oc1cccc(F)c1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001593540707 1174111336 /nfs/dbraw/zinc/11/13/36/1174111336.db2.gz ZQLMRPVNOYIIJB-UHFFFAOYSA-N -1 3 286.270 1.140 20 10 CDCDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000132272354 824203846 /nfs/dbraw/zinc/20/38/46/824203846.db2.gz KNSACBVPZDNZMF-UHFFFAOYSA-N -1 3 275.757 1.276 20 10 CDCDHM COC(=O)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000856449221 824214034 /nfs/dbraw/zinc/21/40/34/824214034.db2.gz HKZNNNAIGPWOAV-UHFFFAOYSA-N -1 3 294.307 1.058 20 10 CDCDHM C[C@H](NCc1nnn(C)n1)c1ccc(Cl)cc1[O-] ZINC000841752177 825174151 /nfs/dbraw/zinc/17/41/51/825174151.db2.gz MUUCANXESWLMIL-ZETCQYMHSA-N -1 3 267.720 1.420 20 10 CDCDHM C[C@@H]1CO[C@H](CO)CN1Cc1cc(F)ccc1[O-] ZINC000779034167 825180098 /nfs/dbraw/zinc/18/00/98/825180098.db2.gz PLBNUSKYTILRCJ-SKDRFNHKSA-N -1 3 255.289 1.113 20 10 CDCDHM Cc1cc([O-])c(CN2CCC[C@@H]2C(N)=O)cc1Cl ZINC000826064459 826174763 /nfs/dbraw/zinc/17/47/63/826174763.db2.gz KLEAVXCLBCBYOA-LLVKDONJSA-N -1 3 268.744 1.804 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCC2(C1)OCCO2 ZINC000093013210 826471106 /nfs/dbraw/zinc/47/11/06/826471106.db2.gz KRLZDPPXPDRWGQ-UHFFFAOYSA-N -1 3 269.728 1.994 20 10 CDCDHM CC(C)[C@@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000193100101 826628453 /nfs/dbraw/zinc/62/84/53/826628453.db2.gz PPNIZZMJLORJKU-ZDUSSCGKSA-N -1 3 253.298 1.235 20 10 CDCDHM O=C(NC[C@@H]1CCC[C@H](O)C1)c1cccc(O)c1[O-] ZINC000187124194 826807149 /nfs/dbraw/zinc/80/71/49/826807149.db2.gz YANBWGITWTXVMJ-ZJUUUORDSA-N -1 3 265.309 1.379 20 10 CDCDHM Cn1cc([C@H](CO)NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000790980828 826851529 /nfs/dbraw/zinc/85/15/29/826851529.db2.gz PZTXOBKSBDPCGL-NSHDSACASA-N -1 3 299.733 1.741 20 10 CDCDHM CC(C)OC(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000837027133 826869284 /nfs/dbraw/zinc/86/92/84/826869284.db2.gz IKOPRPQMQSXMEU-QMMMGPOBSA-N -1 3 267.281 1.168 20 10 CDCDHM Cn1c(=O)[nH]c2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC000799824410 826898553 /nfs/dbraw/zinc/89/85/53/826898553.db2.gz WPHPIOISIUWNRC-UHFFFAOYSA-N -1 3 299.286 1.942 20 10 CDCDHM O=C(NCCOC(F)(F)F)c1cccc(O)c1[O-] ZINC000398175981 827313382 /nfs/dbraw/zinc/31/33/82/827313382.db2.gz JXPFAQXIFWQVTE-UHFFFAOYSA-N -1 3 265.187 1.364 20 10 CDCDHM Cc1ccc(C(=O)Nc2ccc3nncn3c2)c([O-])c1O ZINC000182975077 827357577 /nfs/dbraw/zinc/35/75/77/827357577.db2.gz KURGLWIPLZRAFW-UHFFFAOYSA-N -1 3 284.275 1.701 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cc[nH]c(=O)c1 ZINC000818026736 827377424 /nfs/dbraw/zinc/37/74/24/827377424.db2.gz JJFJZWDGRIXRME-MRVPVSSYSA-N -1 3 274.276 1.689 20 10 CDCDHM CCOC(=O)C[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000790911193 828021785 /nfs/dbraw/zinc/02/17/85/828021785.db2.gz ORWPKCFWKOZVPO-SECBINFHSA-N -1 3 281.308 1.417 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]2COC[C@@H]21 ZINC000690758904 897206395 /nfs/dbraw/zinc/20/63/95/897206395.db2.gz UJJTUTLGBZIRGA-KOLCDFICSA-N -1 3 263.293 1.349 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2cccc(F)c2[O-])CCCO1 ZINC001138129571 936475919 /nfs/dbraw/zinc/47/59/19/936475919.db2.gz KTCFDVTVQFEVEU-GFCCVEGCSA-N -1 3 283.299 1.295 20 10 CDCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC2(COC2)C1 ZINC001139126241 936599560 /nfs/dbraw/zinc/59/95/60/936599560.db2.gz CIRWJEGEKLONMX-UHFFFAOYSA-N -1 3 287.315 1.639 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])c(F)ccc2F)CC[C@H]1O ZINC001139685852 936635813 /nfs/dbraw/zinc/63/58/13/936635813.db2.gz ZBCLVQZLDJDLTE-PRHODGIISA-N -1 3 257.280 1.873 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1C ZINC001203664731 920594472 /nfs/dbraw/zinc/59/44/72/920594472.db2.gz SNQKYOSMOXLISC-LBPRGKRZSA-N -1 3 298.770 1.335 20 10 CDCDHM COC(=O)C[C@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001140464740 936712806 /nfs/dbraw/zinc/71/28/06/936712806.db2.gz BRORBTYKSBDADY-LBPRGKRZSA-N -1 3 299.754 1.810 20 10 CDCDHM C[C@]1(CO)CN(Cc2c([O-])c(F)ccc2F)CC[C@@H]1O ZINC001139684698 937421761 /nfs/dbraw/zinc/42/17/61/937421761.db2.gz KKVLCJGFIJXZMF-GXTWGEPZSA-N -1 3 287.306 1.236 20 10 CDCDHM O=C(Nc1ccnn1-c1ccncc1)c1cccc(O)c1[O-] ZINC001148211986 932666819 /nfs/dbraw/zinc/66/68/19/932666819.db2.gz GNDZZNQIXOYGEZ-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(C[C@H](F)CO2)CC1 ZINC001148219113 932670362 /nfs/dbraw/zinc/67/03/62/932670362.db2.gz TYSDRUIUFRIWNC-JTQLQIEISA-N -1 3 295.310 1.831 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)[C@@H](O)c1ccccc1 ZINC001156171368 938327808 /nfs/dbraw/zinc/32/78/08/938327808.db2.gz ZYEFUKVSFKFCPX-AWEZNQCLSA-N -1 3 275.279 1.881 20 10 CDCDHM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCCO1 ZINC001231446327 942892346 /nfs/dbraw/zinc/89/23/46/942892346.db2.gz GXIVRVDOCTYILJ-JTQLQIEISA-N -1 3 265.309 1.701 20 10 CDCDHM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCCO1 ZINC001231446327 942892347 /nfs/dbraw/zinc/89/23/47/942892347.db2.gz GXIVRVDOCTYILJ-JTQLQIEISA-N -1 3 265.309 1.701 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@](F)(CO)CC2)c([O-])c1 ZINC001231447886 942895158 /nfs/dbraw/zinc/89/51/58/942895158.db2.gz XTDAOXRKOHOVCR-OAHLLOKOSA-N -1 3 297.326 1.777 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@](F)(CO)CC2)c([O-])c1 ZINC001231447886 942895159 /nfs/dbraw/zinc/89/51/59/942895159.db2.gz XTDAOXRKOHOVCR-OAHLLOKOSA-N -1 3 297.326 1.777 20 10 CDCDHM CO[C@@H]1CCN(CCOc2cc([O-])c(O)cc2C(C)=O)C1 ZINC001234478117 943860736 /nfs/dbraw/zinc/86/07/36/943860736.db2.gz XPVRPMVPMYIQLY-LLVKDONJSA-N -1 3 295.335 1.400 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCn2cnc(CO)c2C1 ZINC001235504178 944177523 /nfs/dbraw/zinc/17/75/23/944177523.db2.gz SOQXKYWVZSTDNW-UHFFFAOYSA-N -1 3 277.299 1.236 20 10 CDCDHM CN(Cc1c([O-])ccc(Cl)c1Cl)C[C@@H](O)CO ZINC001237081581 944653058 /nfs/dbraw/zinc/65/30/58/944653058.db2.gz YRYJGJYLBBXFCM-SSDOTTSWSA-N -1 3 280.151 1.484 20 10 CDCDHM C[C@H]([N-]S(=O)(=O)C(F)F)c1ccc(N(C)C)cc1 ZINC001259961928 945751618 /nfs/dbraw/zinc/75/16/18/945751618.db2.gz XZPCKIVRNJHATJ-QMMMGPOBSA-N -1 3 278.324 1.956 20 10 CDCDHM CC(C)c1n[nH]c(NC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC001261258901 946021194 /nfs/dbraw/zinc/02/11/94/946021194.db2.gz QFIWDWDUUMSCPW-UHFFFAOYSA-N -1 3 280.259 1.731 20 10 CDCDHM COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001347396702 965508933 /nfs/dbraw/zinc/50/89/33/965508933.db2.gz ZTGHCLMSCIUIDI-PWSUYJOCSA-N -1 3 299.754 1.462 20 10 CDCDHM C[C@H]([NH2+]C/C=C\CO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256483 994522849 /nfs/dbraw/zinc/52/28/49/994522849.db2.gz IIFSHYGVEVUPEX-XADBCAIWSA-N -1 3 251.282 1.290 20 10 CDCDHM CC[C@]1(CO)CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000189248034 357987934 /nfs/dbraw/zinc/98/79/34/357987934.db2.gz ZEUGQMGGUKVWIF-OAHLLOKOSA-N -1 3 279.336 1.783 20 10 CDCDHM COc1cc(Cl)cc(CN2CCOC[C@H](O)C2)c1[O-] ZINC000294835999 199205500 /nfs/dbraw/zinc/20/55/00/199205500.db2.gz QMSYRQLFWFWKAT-LLVKDONJSA-N -1 3 287.743 1.247 20 10 CDCDHM CSC[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000271296308 364979185 /nfs/dbraw/zinc/97/91/85/364979185.db2.gz RJCFAOSBEUCULX-ZDUSSCGKSA-N -1 3 285.365 1.250 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H](C)C(=O)OC(C)C)c([O-])c1O ZINC000271288629 364980022 /nfs/dbraw/zinc/98/00/22/364980022.db2.gz PQZURIOHBPQDLN-SNVBAGLBSA-N -1 3 295.335 1.724 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN(c2cccnn2)CC1 ZINC000272257884 365157788 /nfs/dbraw/zinc/15/77/88/365157788.db2.gz JNTNIXKYPFXQSH-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM CCC[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272765023 365387430 /nfs/dbraw/zinc/38/74/30/365387430.db2.gz QZFCSMOREAHOCG-CQSZACIVSA-N -1 3 267.325 1.687 20 10 CDCDHM CCN1CCN(Cc2cc(F)ccc2[O-])CC1=O ZINC000273554040 365506627 /nfs/dbraw/zinc/50/66/27/365506627.db2.gz ZFUPMAOKJRMKRM-UHFFFAOYSA-N -1 3 252.289 1.195 20 10 CDCDHM CC[C@@H](COC)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182485298 391235738 /nfs/dbraw/zinc/23/57/38/391235738.db2.gz JGZQAYDLMIAMMU-VIFPVBQESA-N -1 3 253.298 1.561 20 10 CDCDHM Cc1ccc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c([O-])c1O ZINC000179477428 391207324 /nfs/dbraw/zinc/20/73/24/391207324.db2.gz ZZDDWPXXRBGOIE-LLVKDONJSA-N -1 3 292.335 1.003 20 10 CDCDHM CCN(CC)C(=O)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126294132 264202213 /nfs/dbraw/zinc/20/22/13/264202213.db2.gz RDXMHJVOCAJQJC-UHFFFAOYSA-N -1 3 280.324 1.038 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000062745938 521743656 /nfs/dbraw/zinc/74/36/56/521743656.db2.gz IQPZNEMIJJTMKQ-RKDXNWHRSA-N -1 3 254.305 1.707 20 10 CDCDHM CC[C@H](C)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000272894958 521971510 /nfs/dbraw/zinc/97/15/10/521971510.db2.gz ZUFMWYIKEVHQLX-KWQFWETISA-N -1 3 295.335 1.724 20 10 CDCDHM COC(=O)[C@@]1(C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279074260 523833380 /nfs/dbraw/zinc/83/33/80/523833380.db2.gz DHSOJXCHKNDOPE-AWEZNQCLSA-N -1 3 279.292 1.123 20 10 CDCDHM Cc1ccc(C(=O)N(CCO)C2CCC2)c([O-])c1O ZINC000275951430 526075065 /nfs/dbraw/zinc/07/50/65/526075065.db2.gz ZMGVJSPRILXOGR-UHFFFAOYSA-N -1 3 265.309 1.393 20 10 CDCDHM NC(=O)[N-]C(=O)OCCCSc1nccs1 ZINC000265003300 526927960 /nfs/dbraw/zinc/92/79/60/526927960.db2.gz MTXOPLPZSAAWCN-UHFFFAOYSA-N -1 3 261.328 1.430 20 10 CDCDHM NC(=O)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000157068454 526971394 /nfs/dbraw/zinc/97/13/94/526971394.db2.gz BWEMDRHTWNYTQM-MRVPVSSYSA-N -1 3 299.168 1.462 20 10 CDCDHM CCCN(Cc1nnnn1C)Cc1ccccc1[O-] ZINC000727830675 574600551 /nfs/dbraw/zinc/60/05/51/574600551.db2.gz GPIKPPZBYNPBOP-UHFFFAOYSA-N -1 3 261.329 1.328 20 10 CDCDHM COC(=O)N1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732283041 575086846 /nfs/dbraw/zinc/08/68/46/575086846.db2.gz WCAVZMUYIKUPBI-MRVPVSSYSA-N -1 3 284.337 1.414 20 10 CDCDHM CCN1C(=S)N=NC1CNC(=O)c1cc([O-])cs1 ZINC000732287175 575086903 /nfs/dbraw/zinc/08/69/03/575086903.db2.gz OJJYRTYRRCLYEX-UHFFFAOYSA-N -1 3 284.366 1.284 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC2(C1)OCCO2 ZINC000732286645 575086911 /nfs/dbraw/zinc/08/69/11/575086911.db2.gz IZYNSNKVMQDRSR-UHFFFAOYSA-N -1 3 255.295 1.043 20 10 CDCDHM CN(CC1CCOCC1)C(=O)c1cc([O-])cs1 ZINC000768520922 575131590 /nfs/dbraw/zinc/13/15/90/575131590.db2.gz HRUBSGHDBXIKQL-UHFFFAOYSA-N -1 3 255.339 1.952 20 10 CDCDHM Cc1ccc(C(=O)N(C)c2ccn(C)n2)c([O-])c1O ZINC000774157601 575185540 /nfs/dbraw/zinc/18/55/40/575185540.db2.gz LUOLDWUFSINWGT-UHFFFAOYSA-N -1 3 261.281 1.416 20 10 CDCDHM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C1CC1 ZINC000766048986 576074528 /nfs/dbraw/zinc/07/45/28/576074528.db2.gz YKONHFKFQOFSRF-UHFFFAOYSA-N -1 3 255.295 1.499 20 10 CDCDHM CCOc1ccc(CN2CCCC[C@@H]2C(=O)NC)c([O-])c1 ZINC000768346476 576273968 /nfs/dbraw/zinc/27/39/68/576273968.db2.gz OKHKYCTZRDMRRK-CQSZACIVSA-N -1 3 292.379 1.891 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)C2CC(O)C2)c1[O-] ZINC000759874880 576439863 /nfs/dbraw/zinc/43/98/63/576439863.db2.gz QDKUVTQORTWZNG-UHFFFAOYSA-N -1 3 267.300 1.689 20 10 CDCDHM CN(CCCNC(=O)C1CCC1)C(=O)c1cc([O-])cs1 ZINC000760919870 576525005 /nfs/dbraw/zinc/52/50/05/576525005.db2.gz LTYASIVFKPVNEM-UHFFFAOYSA-N -1 3 296.392 1.832 20 10 CDCDHM O=C(NC[C@@H](O)c1ccncc1)c1cc([O-])cs1 ZINC000750540386 576994859 /nfs/dbraw/zinc/99/48/59/576994859.db2.gz ZEHMUJIWFXQMII-SNVBAGLBSA-N -1 3 264.306 1.312 20 10 CDCDHM C[C@H](N[C@@H]1CCCN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756639102 576998368 /nfs/dbraw/zinc/99/83/68/576998368.db2.gz WUSJWYUKTVJSSW-QPUJVOFHSA-N -1 3 284.306 1.942 20 10 CDCDHM O=C([O-])[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000086805220 599956321 /nfs/dbraw/zinc/95/63/21/599956321.db2.gz BOAVLWAMHOOUJC-HNNXBMFYSA-N -1 3 287.315 1.831 20 10 CDCDHM O=C([O-])[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000086805220 599956322 /nfs/dbraw/zinc/95/63/22/599956322.db2.gz BOAVLWAMHOOUJC-HNNXBMFYSA-N -1 3 287.315 1.831 20 10 CDCDHM O=C([O-])[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000086805220 599956323 /nfs/dbraw/zinc/95/63/23/599956323.db2.gz BOAVLWAMHOOUJC-HNNXBMFYSA-N -1 3 287.315 1.831 20 10 CDCDHM COC(=O)[C@@](C)(CO)NCc1cc(Cl)c(C)cc1[O-] ZINC000894971574 619168461 /nfs/dbraw/zinc/16/84/61/619168461.db2.gz DRWCRKMIMISLCG-CYBMUJFWSA-N -1 3 287.743 1.368 20 10 CDCDHM CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605005316 1163412113 /nfs/dbraw/zinc/41/21/13/1163412113.db2.gz GMKMCCCSFZLUIB-KXUCPTDWSA-N -1 3 291.355 1.646 20 10 CDCDHM C[C@H]([NH2+]CCC(C)(C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960875 1173213863 /nfs/dbraw/zinc/21/38/63/1173213863.db2.gz HUFCYNYLPIMKRE-VIFPVBQESA-N -1 3 291.355 1.384 20 10 CDCDHM Cn1cc(CNCc2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC001600954287 1174678890 /nfs/dbraw/zinc/67/88/90/1174678890.db2.gz HFJQRAHPHOZIFU-UHFFFAOYSA-N -1 3 286.331 1.948 20 10 CDCDHM C[C@H]([NH2+]Cc1cncn1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603670350 1175592426 /nfs/dbraw/zinc/59/24/26/1175592426.db2.gz FICYKYLEEBQKBW-VIFPVBQESA-N -1 3 299.338 1.157 20 10 CDCDHM COCC[C@H](CO)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610252854 1165274877 /nfs/dbraw/zinc/27/48/77/1165274877.db2.gz IIBNWKMUDWAFCZ-MWLCHTKSSA-N -1 3 283.324 1.138 20 10 CDCDHM CCc1cc(NC(=O)c2ccc(C)c(O)c2[O-])nn1C ZINC000817691369 829371868 /nfs/dbraw/zinc/37/18/68/829371868.db2.gz XEGUCKOZWVQNCC-UHFFFAOYSA-N -1 3 275.308 1.954 20 10 CDCDHM CCN(C)C(=O)CN[C@@H](C)c1c([O-])cccc1F ZINC000886595011 829416358 /nfs/dbraw/zinc/41/63/58/829416358.db2.gz ZBIMBAGRNNXJPK-VIFPVBQESA-N -1 3 254.305 1.660 20 10 CDCDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1ncnn1C ZINC000883101705 830021540 /nfs/dbraw/zinc/02/15/40/830021540.db2.gz RKVCHXZUVHLXHO-ZETCQYMHSA-N -1 3 268.267 1.650 20 10 CDCDHM O=C(N[C@H](CO)c1cccc(F)c1)c1cccc(O)c1[O-] ZINC000790916973 833859887 /nfs/dbraw/zinc/85/98/87/833859887.db2.gz OWAXMBZPDZDDGL-GFCCVEGCSA-N -1 3 291.278 1.700 20 10 CDCDHM COC(=O)N1CC(N[C@@H](C)c2c([O-])cccc2F)C1 ZINC000886553547 834845872 /nfs/dbraw/zinc/84/58/72/834845872.db2.gz PPGIIXDTQDSJDQ-QMMMGPOBSA-N -1 3 268.288 1.633 20 10 CDCDHM Cc1ccc(CCNC(=O)c2cccc(O)c2[O-])o1 ZINC000689795874 899748759 /nfs/dbraw/zinc/74/87/59/899748759.db2.gz PLBFXNZJWJEGST-UHFFFAOYSA-N -1 3 261.277 1.972 20 10 CDCDHM COc1cc([O-])c(CN2CCCNC(=O)C2)c(Cl)c1 ZINC001236800554 916475385 /nfs/dbraw/zinc/47/53/85/916475385.db2.gz ZYWPGMNJMMZGNI-UHFFFAOYSA-N -1 3 284.743 1.376 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CC[C@@](F)(CO)C1 ZINC001140461933 936712255 /nfs/dbraw/zinc/71/22/55/936712255.db2.gz YZTWGUOHRCQMKO-LBPRGKRZSA-N -1 3 259.708 1.952 20 10 CDCDHM CCN1CCN(Cc2ccc(Cl)cc2[O-])CC1=O ZINC001140465379 936712383 /nfs/dbraw/zinc/71/23/83/936712383.db2.gz KZBNZAJWNDWBKF-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193220338 923541069 /nfs/dbraw/zinc/54/10/69/923541069.db2.gz SMQFNDKFDXVCPH-DTWKUNHWSA-N -1 3 298.770 1.916 20 10 CDCDHM CO[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H]1OC ZINC000234881015 932626870 /nfs/dbraw/zinc/62/68/70/932626870.db2.gz CHXIJKMBJCINFP-TXEJJXNPSA-N -1 3 271.744 1.891 20 10 CDCDHM Cc1cc2n(n1)c(=O)cc(C)n2C(=O)c1cccc(O)c1[O-] ZINC001148213548 932668129 /nfs/dbraw/zinc/66/81/29/932668129.db2.gz GOFDRBGYSRUFKM-UHFFFAOYSA-N -1 3 299.286 1.213 20 10 CDCDHM O=C(Nc1ncccc1[O-])c1cc(O)c(O)c(O)c1 ZINC001148581708 932750477 /nfs/dbraw/zinc/75/04/77/932750477.db2.gz RUQQIQRNHLZRFC-UHFFFAOYSA-N -1 3 262.221 1.156 20 10 CDCDHM C[C@]1(CO)CCCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148582866 932751097 /nfs/dbraw/zinc/75/10/97/932751097.db2.gz OJGJZTVLUFLLJX-HNNXBMFYSA-N -1 3 295.335 1.428 20 10 CDCDHM CN(C)C(=O)[C@@]12C[C@@H]1CCN2Cc1c([O-])cccc1F ZINC001277488854 942792957 /nfs/dbraw/zinc/79/29/57/942792957.db2.gz KUQKKXUELPUFFQ-ZUZCIYMTSA-N -1 3 278.327 1.584 20 10 CDCDHM CO[C@@H](C)C1C[NH+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453086 942895762 /nfs/dbraw/zinc/89/57/62/942895762.db2.gz BSSPOVKRPVKFBN-VIFPVBQESA-N -1 3 265.309 1.557 20 10 CDCDHM COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231569391 942933102 /nfs/dbraw/zinc/93/31/02/942933102.db2.gz XQPCFXFAGRDXRZ-HNNXBMFYSA-N -1 3 293.319 1.475 20 10 CDCDHM COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231569391 942933104 /nfs/dbraw/zinc/93/31/04/942933104.db2.gz XQPCFXFAGRDXRZ-HNNXBMFYSA-N -1 3 293.319 1.475 20 10 CDCDHM COc1cc([O-])c(CN2CCO[C@H](C(C)=O)C2)cc1Cl ZINC001232270525 943196375 /nfs/dbraw/zinc/19/63/75/943196375.db2.gz CZHXECZDNFHTTN-AWEZNQCLSA-N -1 3 299.754 1.844 20 10 CDCDHM CN(C)C(=O)CCN(C)Cc1c([O-])ccc(F)c1F ZINC001233335005 943549047 /nfs/dbraw/zinc/54/90/47/943549047.db2.gz CYMJFKZEGMZLSE-UHFFFAOYSA-N -1 3 272.295 1.581 20 10 CDCDHM COc1cc([O-])c(CN2CC(=O)C2)c(Br)c1 ZINC001237073801 944651886 /nfs/dbraw/zinc/65/18/86/944651886.db2.gz VHOUPXYNPCDLAT-UHFFFAOYSA-N -1 3 286.125 1.548 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H]1O ZINC001237934196 945008121 /nfs/dbraw/zinc/00/81/21/945008121.db2.gz IWXAQVIEUWEAFZ-MADCSZMMSA-N -1 3 259.708 1.997 20 10 CDCDHM CCc1noc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC001310785600 956709065 /nfs/dbraw/zinc/70/90/65/956709065.db2.gz HOWQSASNNWIGPH-UHFFFAOYSA-N -1 3 280.259 1.798 20 10 CDCDHM COC(=O)NC1CN(Cc2c([O-])cccc2Cl)C1 ZINC001348075195 965810759 /nfs/dbraw/zinc/81/07/59/965810759.db2.gz NPHSROSDHWLNMH-UHFFFAOYSA-N -1 3 270.716 1.586 20 10 CDCDHM COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC001350611089 966711133 /nfs/dbraw/zinc/71/11/33/966711133.db2.gz OJHHPCPGEDXBPT-CYBMUJFWSA-N -1 3 253.298 1.362 20 10 CDCDHM C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239262 994422356 /nfs/dbraw/zinc/42/23/56/994422356.db2.gz CYMKYASSZBDGKU-PSLIRLAXSA-N -1 3 279.336 1.902 20 10 CDCDHM C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239935 994425833 /nfs/dbraw/zinc/42/58/33/994425833.db2.gz IMZIXUKQKXFULI-VHSXEESVSA-N -1 3 266.341 1.691 20 10 CDCDHM C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247208 994461745 /nfs/dbraw/zinc/46/17/45/994461745.db2.gz FGZOHADBHOLWNX-LXGOIASLSA-N -1 3 297.376 1.652 20 10 CDCDHM COc1cc(C)c(CN2CC[C@](F)(C(=O)[O-])C2)c(O)c1 ZINC001599391332 997042908 /nfs/dbraw/zinc/04/29/08/997042908.db2.gz REIVTCHFKWIDML-CQSZACIVSA-N -1 3 283.299 1.708 20 10 CDCDHM CCCC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000273922899 365528206 /nfs/dbraw/zinc/52/82/06/365528206.db2.gz DPDSJIYZLBCJDF-LLVKDONJSA-N -1 3 295.335 1.868 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000158029082 362188613 /nfs/dbraw/zinc/18/86/13/362188613.db2.gz TZMNXZJXBRXODI-CYBMUJFWSA-N -1 3 296.798 1.952 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN(c2cnccn2)CC1 ZINC000272246386 365150447 /nfs/dbraw/zinc/15/04/47/365150447.db2.gz HOFZPPTWVFXVRR-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM COc1cc(Cl)cc(CN2CCO[C@H](CO)C2)c1[O-] ZINC000273739697 365520381 /nfs/dbraw/zinc/52/03/81/365520381.db2.gz LSMSWHNOXKSKBQ-NSHDSACASA-N -1 3 287.743 1.247 20 10 CDCDHM CON(CC1CCOCC1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000282330484 367833776 /nfs/dbraw/zinc/83/37/76/367833776.db2.gz AZVIRPADQLNJNJ-UHFFFAOYSA-N -1 3 295.335 1.836 20 10 CDCDHM CS(=O)(=O)[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000282667124 367981994 /nfs/dbraw/zinc/98/19/94/367981994.db2.gz HGGAJTSTFWFBSX-NSHDSACASA-N -1 3 273.329 1.150 20 10 CDCDHM CN1CCCN(Cc2cc(F)ccc2[O-])CC1=O ZINC000191663695 373507147 /nfs/dbraw/zinc/50/71/47/373507147.db2.gz LMQYQYXRWAOPOK-UHFFFAOYSA-N -1 3 252.289 1.195 20 10 CDCDHM CCS(=O)(=O)CCN(C)Cc1ccccc1[O-] ZINC000118399015 390832473 /nfs/dbraw/zinc/83/24/73/390832473.db2.gz VHPPCNJIUWNMKA-UHFFFAOYSA-N -1 3 257.355 1.259 20 10 CDCDHM CCCOc1ccc(CN2CCNC(=O)CC2)c([O-])c1 ZINC000093101820 390899836 /nfs/dbraw/zinc/89/98/36/390899836.db2.gz CADPAGXWLOFIFK-UHFFFAOYSA-N -1 3 278.352 1.503 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCOCC2)c1[O-] ZINC000037322542 260159818 /nfs/dbraw/zinc/15/98/18/260159818.db2.gz AVJRAXHNBCYWAP-UHFFFAOYSA-N -1 3 253.273 1.566 20 10 CDCDHM CCOC(=O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126239621 260346579 /nfs/dbraw/zinc/34/65/79/260346579.db2.gz XBCMQNFLESJOCA-UHFFFAOYSA-N -1 3 293.319 1.513 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)O)C2)c([O-])c1O ZINC000272954013 328201941 /nfs/dbraw/zinc/20/19/41/328201941.db2.gz IRKVCCCWXVXYDK-VHSXEESVSA-N -1 3 265.309 1.249 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(C1)CCOCC2 ZINC000279251674 327546519 /nfs/dbraw/zinc/54/65/19/327546519.db2.gz IGUVQLHFCJPKHW-UHFFFAOYSA-N -1 3 277.320 1.741 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccco2)C1 ZINC000193130546 329437861 /nfs/dbraw/zinc/43/78/61/329437861.db2.gz MPODYHZNVPDYHI-ZDUSSCGKSA-N -1 3 289.287 1.905 20 10 CDCDHM COc1c([O-])c(CN2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278178643 521868625 /nfs/dbraw/zinc/86/86/25/521868625.db2.gz GQNKDOFZLXGSQF-JTQLQIEISA-N -1 3 282.296 1.266 20 10 CDCDHM COc1c([O-])c(CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278223540 521870181 /nfs/dbraw/zinc/87/01/81/521870181.db2.gz LXWNROMDKVWBQT-UHFFFAOYSA-N -1 3 281.312 1.056 20 10 CDCDHM COC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])[C@H]1CCCO1 ZINC000279341457 522340909 /nfs/dbraw/zinc/34/09/09/522340909.db2.gz DUXGCXKYUXSPMX-VXGBXAGGSA-N -1 3 295.335 1.330 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@]2(CCOC2)O1 ZINC000280507372 524538996 /nfs/dbraw/zinc/53/89/96/524538996.db2.gz LGPDCMZXNLMZME-BONVTDFDSA-N -1 3 293.319 1.118 20 10 CDCDHM O=C1NC[C@@]2(CCCN(Cc3cc(F)ccc3[O-])C2)O1 ZINC000364895814 527076404 /nfs/dbraw/zinc/07/64/04/527076404.db2.gz WEBPZRHPHKGQKM-CQSZACIVSA-N -1 3 280.299 1.606 20 10 CDCDHM CC(C)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731868543 575068712 /nfs/dbraw/zinc/06/87/12/575068712.db2.gz JBSXJQRQEVIXFI-UHFFFAOYSA-N -1 3 254.355 1.620 20 10 CDCDHM COC(=O)CCCN(C)C(=O)c1cc([O-])cs1 ZINC000732270742 575085314 /nfs/dbraw/zinc/08/53/14/575085314.db2.gz HWUWEHOMDJWGOM-UHFFFAOYSA-N -1 3 257.311 1.479 20 10 CDCDHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(N(C)C)cc1 ZINC000772299791 575682937 /nfs/dbraw/zinc/68/29/37/575682937.db2.gz HRYCFCDVYJVTDF-SNVBAGLBSA-N -1 3 282.351 1.966 20 10 CDCDHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000766249280 576088666 /nfs/dbraw/zinc/08/86/66/576088666.db2.gz IJFIRSCJCONUPE-BDAKNGLRSA-N -1 3 268.338 1.098 20 10 CDCDHM CCOc1ccc(CN2CCCNC(=O)C2)c([O-])c1 ZINC000769116864 576331954 /nfs/dbraw/zinc/33/19/54/576331954.db2.gz WJHNTGCZFGPMEE-UHFFFAOYSA-N -1 3 264.325 1.113 20 10 CDCDHM CC(C)(CO)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769445352 576354369 /nfs/dbraw/zinc/35/43/69/576354369.db2.gz GSQJQIJSMJDPHJ-UHFFFAOYSA-N -1 3 298.814 1.934 20 10 CDCDHM O=C(NCCCOC1CCOCC1)c1cc([O-])cs1 ZINC000743569411 576644981 /nfs/dbraw/zinc/64/49/81/576644981.db2.gz BCSOXAJOUZJGHE-UHFFFAOYSA-N -1 3 285.365 1.769 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756354756 576987022 /nfs/dbraw/zinc/98/70/22/576987022.db2.gz COUXQMLLJNZGBC-JGVFFNPUSA-N -1 3 272.295 1.846 20 10 CDCDHM COC(=O)c1cc(NC(=O)c2cc([O-])cs2)cn1C ZINC000752818523 577129427 /nfs/dbraw/zinc/12/94/27/577129427.db2.gz AFSIACGHUMDROB-UHFFFAOYSA-N -1 3 280.305 1.831 20 10 CDCDHM Oc1ccc(CCNc2ccc(-c3nnn[n-]3)cn2)cc1O ZINC000823727073 606482061 /nfs/dbraw/zinc/48/20/61/606482061.db2.gz MSOOYLQWHJJKSN-UHFFFAOYSA-N -1 3 298.306 1.328 20 10 CDCDHM Oc1ccc(CCNc2ccc(-c3nn[n-]n3)cn2)cc1O ZINC000823727073 606482062 /nfs/dbraw/zinc/48/20/62/606482062.db2.gz MSOOYLQWHJJKSN-UHFFFAOYSA-N -1 3 298.306 1.328 20 10 CDCDHM C[C@H](CCCO)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589821881 1173188793 /nfs/dbraw/zinc/18/87/93/1173188793.db2.gz YTRZJMQZHGQANS-NXEZZACHSA-N -1 3 291.355 1.384 20 10 CDCDHM Cc1ccc([C@H](C)[NH2+]CCC(=O)NCCC(=O)[O-])c([O-])c1 ZINC001600371887 1174456889 /nfs/dbraw/zinc/45/68/89/1174456889.db2.gz HRRIPUVDOYYYRC-NSHDSACASA-N -1 3 294.351 1.332 20 10 CDCDHM C[C@H](CCO)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603495180 1175558713 /nfs/dbraw/zinc/55/87/13/1175558713.db2.gz IJKJFOQDLSQTMI-NXEZZACHSA-N -1 3 291.355 1.241 20 10 CDCDHM O=C(CNCc1cc(F)cc(F)c1[O-])NC1CC1 ZINC000708548397 837388100 /nfs/dbraw/zinc/38/81/00/837388100.db2.gz DXJDDAGIOPWJRH-UHFFFAOYSA-N -1 3 256.252 1.039 20 10 CDCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000126397958 837427831 /nfs/dbraw/zinc/42/78/31/837427831.db2.gz WIFRSPAXZYLLRM-UHFFFAOYSA-N -1 3 258.277 1.731 20 10 CDCDHM C[C@@H](NCCS(=O)(=O)C1CC1)c1c([O-])cccc1F ZINC000886626652 835876056 /nfs/dbraw/zinc/87/60/56/835876056.db2.gz HVTXOQKOVYIWAG-SECBINFHSA-N -1 3 287.356 1.759 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1ccccc1 ZINC000811541332 838780299 /nfs/dbraw/zinc/78/02/99/838780299.db2.gz YLDSLMCSOXOZRW-HZMBPMFUSA-N -1 3 287.315 1.950 20 10 CDCDHM Cc1nnc([C@H](C)NCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000708389587 839303122 /nfs/dbraw/zinc/30/31/22/839303122.db2.gz MHWPQYWUPBVIAU-LURJTMIESA-N -1 3 268.267 1.948 20 10 CDCDHM CC[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000126267269 839773586 /nfs/dbraw/zinc/77/35/86/839773586.db2.gz CHSUUAOSJYOCHV-VIFPVBQESA-N -1 3 251.282 1.349 20 10 CDCDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1=CC(=O)CS1)C2 ZINC000825040387 840596130 /nfs/dbraw/zinc/59/61/30/840596130.db2.gz IGLMDXSFWWBNCH-UHFFFAOYSA-N -1 3 277.305 1.414 20 10 CDCDHM Cc1nc(CCNC(=O)c2cccc(O)c2[O-])cs1 ZINC000228736135 841103971 /nfs/dbraw/zinc/10/39/71/841103971.db2.gz AYELDVGWSWVWNB-UHFFFAOYSA-N -1 3 278.333 1.835 20 10 CDCDHM CNC(=O)C1CN(Cc2ccc(Br)cc2[O-])C1 ZINC000826112732 841347260 /nfs/dbraw/zinc/34/72/60/841347260.db2.gz ARJVZGVYZYRKSS-UHFFFAOYSA-N -1 3 299.168 1.333 20 10 CDCDHM O=C(NCCc1ccc(O)c(O)c1)c1cccc(O)c1[O-] ZINC000776353727 842060754 /nfs/dbraw/zinc/06/07/54/842060754.db2.gz BNIWMQAKGVMZCD-UHFFFAOYSA-N -1 3 289.287 1.482 20 10 CDCDHM Cc1nnc(CN(C)C(=O)c2cccc(O)c2[O-])o1 ZINC001347842886 895710721 /nfs/dbraw/zinc/71/07/21/895710721.db2.gz RHSORAQWXOSYFS-UHFFFAOYSA-N -1 3 263.253 1.061 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H](CO)C1 ZINC001140461854 896166538 /nfs/dbraw/zinc/16/65/38/896166538.db2.gz VVPRWOYJKMKDEH-LLVKDONJSA-N -1 3 257.717 1.239 20 10 CDCDHM C[C@H]1C(=O)N(C)CCN1Cc1c([O-])cccc1Cl ZINC001140341565 936703288 /nfs/dbraw/zinc/70/32/88/936703288.db2.gz WJMSIPWDLRARRY-VIFPVBQESA-N -1 3 268.744 1.708 20 10 CDCDHM Cc1nc(CNC(=O)c2cc(O)c([O-])c(Cl)c2)n[nH]1 ZINC001193634249 923824101 /nfs/dbraw/zinc/82/41/01/923824101.db2.gz BKZDRKQGSFTBIN-UHFFFAOYSA-N -1 3 282.687 1.108 20 10 CDCDHM O=S(=O)(NCc1cccc(O)c1O)c1ccc([O-])cc1 ZINC001195828807 924747960 /nfs/dbraw/zinc/74/79/60/924747960.db2.gz NNHXGDMBBWVUIF-UHFFFAOYSA-N -1 3 295.316 1.282 20 10 CDCDHM COc1cc(O)ccc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197464127 925143202 /nfs/dbraw/zinc/14/32/02/925143202.db2.gz JLNTVONGZGFUFU-UHFFFAOYSA-N -1 3 294.332 1.738 20 10 CDCDHM Cc1c[nH]c(=O)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148580708 932751007 /nfs/dbraw/zinc/75/10/07/932751007.db2.gz KLAJJNOXTFWBDF-UHFFFAOYSA-N -1 3 276.248 1.465 20 10 CDCDHM N[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCC1(F)F ZINC001206673998 938769316 /nfs/dbraw/zinc/76/93/16/938769316.db2.gz CFEZWZLLWVDMLP-LLVKDONJSA-N -1 3 292.713 1.920 20 10 CDCDHM N[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCC1(F)F ZINC001206673918 938769399 /nfs/dbraw/zinc/76/93/99/938769399.db2.gz AIQBTPOEXMCYFA-NSHDSACASA-N -1 3 278.249 1.839 20 10 CDCDHM Cc1ccc(C(=O)NOCc2ccccn2)c([O-])c1O ZINC001161224312 938880804 /nfs/dbraw/zinc/88/08/04/938880804.db2.gz XPHKYXDUXYZQBW-UHFFFAOYSA-N -1 3 274.276 1.663 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCN(C2COC2)CC1 ZINC001203648915 939699958 /nfs/dbraw/zinc/69/99/58/939699958.db2.gz ZKHSQJXDWNFJIZ-UHFFFAOYSA-N -1 3 282.771 1.562 20 10 CDCDHM O=C1O[C@H]2C[C@@H]1N(Cc1cc(Cl)ccc1[O-])C2 ZINC001203664741 939700051 /nfs/dbraw/zinc/70/00/51/939700051.db2.gz TXSCXYHIENUCGA-UWVGGRQHSA-N -1 3 253.685 1.545 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](O)[C@@H](CO)C2)c1[O-] ZINC000316455115 941486026 /nfs/dbraw/zinc/48/60/26/941486026.db2.gz OTAWPCURNPWMGP-MFKMUULPSA-N -1 3 299.754 1.033 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC001231565525 942930507 /nfs/dbraw/zinc/93/05/07/942930507.db2.gz ZTJSULKWLQOVMP-LLVKDONJSA-N -1 3 279.336 1.685 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC001231565525 942930515 /nfs/dbraw/zinc/93/05/15/942930515.db2.gz ZTJSULKWLQOVMP-LLVKDONJSA-N -1 3 279.336 1.685 20 10 CDCDHM COc1cc([O-])c(CN2CCN(C(C)=O)CC2)cc1Cl ZINC001232269029 943196626 /nfs/dbraw/zinc/19/66/26/943196626.db2.gz ZJGSIXDPQBDTGG-UHFFFAOYSA-N -1 3 298.770 1.718 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])ccc(F)c2F)CC[C@@H]1O ZINC001233332518 943547337 /nfs/dbraw/zinc/54/73/37/943547337.db2.gz NRJDJIYINXDNFC-KWQFWETISA-N -1 3 257.280 1.873 20 10 CDCDHM [O-]c1c(CN2C[C@H](O)[C@H](CO)C2)cccc1C(F)(F)F ZINC001233415706 943580096 /nfs/dbraw/zinc/58/00/96/943580096.db2.gz GDSLWVPVLSESET-ONGXEEELSA-N -1 3 291.269 1.196 20 10 CDCDHM COc1ccc(CN2CC[C@@H](F)[C@H](O)C2)c([O-])c1Cl ZINC001236801187 944572664 /nfs/dbraw/zinc/57/26/64/944572664.db2.gz HEUBWIYBIVEGGB-NXEZZACHSA-N -1 3 289.734 1.959 20 10 CDCDHM CN1CCO[C@H]2CN(Cc3cccc(Cl)c3[O-])C[C@H]21 ZINC000775717270 970101819 /nfs/dbraw/zinc/10/18/19/970101819.db2.gz NXROFECCCZTXOH-OLZOCXBDSA-N -1 3 282.771 1.560 20 10 CDCDHM C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593211225 994262630 /nfs/dbraw/zinc/26/26/30/994262630.db2.gz VWBNJLPXSSEPFJ-VXNVDRBHSA-N -1 3 289.278 1.757 20 10 CDCDHM COc1cc(C)c(C[NH+]2CC(C)(C(=O)[O-])C2)c([O-])c1 ZINC001599391333 997042278 /nfs/dbraw/zinc/04/22/78/997042278.db2.gz RFDXXGWQAXIBHH-UHFFFAOYSA-N -1 3 265.309 1.616 20 10 CDCDHM O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000179937762 357232641 /nfs/dbraw/zinc/23/26/41/357232641.db2.gz FLSYOMYGVWVCDY-ZDUSSCGKSA-N -1 3 278.327 1.774 20 10 CDCDHM COC(=O)[C@@H](C)NCc1cc(Cl)cc(OC)c1[O-] ZINC000193099286 358264433 /nfs/dbraw/zinc/26/44/33/358264433.db2.gz BKPIRZTZVDYSAF-SSDOTTSWSA-N -1 3 273.716 1.705 20 10 CDCDHM Cc1n[nH]c(C)c1NC(=O)CN(C)Cc1ccccc1[O-] ZINC000114721371 359494202 /nfs/dbraw/zinc/49/42/02/359494202.db2.gz RLDWYXJXZNGKJI-UHFFFAOYSA-N -1 3 288.351 1.803 20 10 CDCDHM CCCOc1ccc(CN2CCn3cnnc3C2)c([O-])c1 ZINC000156048109 361709147 /nfs/dbraw/zinc/70/91/47/361709147.db2.gz AZYNWOYUVUIFAK-UHFFFAOYSA-N -1 3 288.351 1.788 20 10 CDCDHM COC[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000271184369 364965674 /nfs/dbraw/zinc/96/56/74/364965674.db2.gz MMJWSQUZEBISNN-JTQLQIEISA-N -1 3 271.744 1.893 20 10 CDCDHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1O ZINC000270820440 367259893 /nfs/dbraw/zinc/25/98/93/367259893.db2.gz BEJBPDCUUKRDHQ-IINYFYTJSA-N -1 3 281.327 1.937 20 10 CDCDHM Cc1noc(C(C)(C)NC(=O)c2cccc(O)c2[O-])n1 ZINC000285800788 368659440 /nfs/dbraw/zinc/65/94/40/368659440.db2.gz VQGIXUJFPHZDAW-UHFFFAOYSA-N -1 3 277.280 1.454 20 10 CDCDHM C[C@@H](N[C@H]1CC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273596438 296160556 /nfs/dbraw/zinc/16/05/56/296160556.db2.gz QUWWAZKRBJKKTG-BDAKNGLRSA-N -1 3 279.296 1.182 20 10 CDCDHM O=C(CNCc1c([O-])cccc1Cl)NCC1CC1 ZINC000272655993 371118624 /nfs/dbraw/zinc/11/86/24/371118624.db2.gz QQPKUWQQSDFAHF-UHFFFAOYSA-N -1 3 268.744 1.661 20 10 CDCDHM CNC(=O)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC000297506720 371997145 /nfs/dbraw/zinc/99/71/45/371997145.db2.gz WSZVNKJEBPAIQB-UHFFFAOYSA-N -1 3 254.717 1.223 20 10 CDCDHM CCN(Cc1ccccc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000179575029 391211832 /nfs/dbraw/zinc/21/18/32/391211832.db2.gz UPFCGRGSHSPFIB-NSHDSACASA-N -1 3 271.382 1.647 20 10 CDCDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccccc1[O-] ZINC000179577991 391213052 /nfs/dbraw/zinc/21/30/52/391213052.db2.gz DZNCMRCKHZVIPK-GHMZBOCLSA-N -1 3 269.366 1.400 20 10 CDCDHM CC1(C)C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000126516378 260352626 /nfs/dbraw/zinc/35/26/26/260352626.db2.gz IVAJHNXMPLLYNM-SECBINFHSA-N -1 3 265.309 1.785 20 10 CDCDHM C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126643218 260355029 /nfs/dbraw/zinc/35/50/29/260355029.db2.gz LIXMVTLWSSZPFX-ZJUUUORDSA-N -1 3 265.309 1.473 20 10 CDCDHM CS(=O)(=O)C[C@@H]1CCN(Cc2ccccc2[O-])C1 ZINC000368352075 267164749 /nfs/dbraw/zinc/16/47/49/267164749.db2.gz NZXLNCLZQYEXGR-LLVKDONJSA-N -1 3 269.366 1.259 20 10 CDCDHM CCN(C)C(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276698393 279027548 /nfs/dbraw/zinc/02/75/48/279027548.db2.gz VLCVFWWEPMFIGB-ZJUUUORDSA-N -1 3 295.339 1.818 20 10 CDCDHM CCN(Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCNC1=O ZINC000281733290 279233750 /nfs/dbraw/zinc/23/37/50/279233750.db2.gz JJOSHEJGJUKPHR-NSHDSACASA-N -1 3 298.770 1.765 20 10 CDCDHM O=C(CNCc1c([O-])cccc1Cl)NC1CC1 ZINC000083551752 526881386 /nfs/dbraw/zinc/88/13/86/526881386.db2.gz HNFHESLNKSCOLQ-UHFFFAOYSA-N -1 3 254.717 1.414 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])CC[S@](=O)C1 ZINC000277636359 300269556 /nfs/dbraw/zinc/26/95/56/300269556.db2.gz YDUQVNRROUAJDB-YPMLDQLKSA-N -1 3 271.357 1.732 20 10 CDCDHM O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(O)c1[O-] ZINC000366150688 303884155 /nfs/dbraw/zinc/88/41/55/303884155.db2.gz FFEUFDUUNZQUHU-MEBBXXQBSA-N -1 3 293.319 1.166 20 10 CDCDHM CCOC[C@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000276902265 326976125 /nfs/dbraw/zinc/97/61/25/326976125.db2.gz PSKYSVPQWHDPFR-NSHDSACASA-N -1 3 267.325 1.889 20 10 CDCDHM CCOC(CCNC(=O)c1ccc(C)c(O)c1[O-])OCC ZINC000276215278 521628822 /nfs/dbraw/zinc/62/88/22/521628822.db2.gz LPIXZBXKMDSGEY-UHFFFAOYSA-N -1 3 297.351 1.925 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCCO1 ZINC000279753092 525344632 /nfs/dbraw/zinc/34/46/32/525344632.db2.gz CRYOPRWEZOKMKU-BXKDBHETSA-N -1 3 265.309 1.785 20 10 CDCDHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc([O-])cs1 ZINC000733366294 575116630 /nfs/dbraw/zinc/11/66/30/575116630.db2.gz PYCFSEMJEGZHAH-HTQZYQBOSA-N -1 3 291.394 1.347 20 10 CDCDHM CCOc1ccc(CN(C)CC(=O)NC(C)C)c([O-])c1 ZINC000768202803 575124341 /nfs/dbraw/zinc/12/43/41/575124341.db2.gz AEYXPOSYRAVTNI-UHFFFAOYSA-N -1 3 280.368 1.747 20 10 CDCDHM CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000760053887 576455377 /nfs/dbraw/zinc/45/53/77/576455377.db2.gz RSJURPMDDVSRBI-RYUDHWBXSA-N -1 3 295.335 1.330 20 10 CDCDHM CCOc1ccc(CN2CCO[C@]3(CCOC3)C2)c([O-])c1 ZINC000769555633 575358895 /nfs/dbraw/zinc/35/88/95/575358895.db2.gz HVURTILTFZRBRE-MRXNPFEDSA-N -1 3 293.363 1.782 20 10 CDCDHM O=C(N[C@@H]1CCCCC12OCCO2)c1cc([O-])cs1 ZINC000764919038 575964347 /nfs/dbraw/zinc/96/43/47/575964347.db2.gz LJDYCYLEIYYUBY-LLVKDONJSA-N -1 3 283.349 1.869 20 10 CDCDHM CCOc1ccc(CN2CCN(C[C@H](C)O)CC2)c([O-])c1 ZINC000769327619 576346338 /nfs/dbraw/zinc/34/63/38/576346338.db2.gz KFMAKUUATYSVGS-ZDUSSCGKSA-N -1 3 294.395 1.289 20 10 CDCDHM CCOc1ccc(CN(C)[C@@H]2CCN(C)C2=O)c([O-])c1 ZINC000769463730 576356310 /nfs/dbraw/zinc/35/63/10/576356310.db2.gz PKQUGGMFUKDWJN-CYBMUJFWSA-N -1 3 278.352 1.453 20 10 CDCDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756777167 577003546 /nfs/dbraw/zinc/00/35/46/577003546.db2.gz WJXCEEUBAQBOFZ-AMIZOPFISA-N -1 3 297.305 1.788 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](O)[C@H](CO)C1 ZINC000840975627 617969336 /nfs/dbraw/zinc/96/93/36/617969336.db2.gz PMCOQUXYTNTMIQ-JOYOIKCWSA-N -1 3 289.734 1.360 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn(C)cn2)c1 ZINC000903351540 625976508 /nfs/dbraw/zinc/97/65/08/625976508.db2.gz LTVZANKNVIDCHP-JTQLQIEISA-N -1 3 289.335 1.763 20 10 CDCDHM Cc1ccc(C(=O)NN2CCCC[C@H]2C)c([O-])c1O ZINC000912143383 629814889 /nfs/dbraw/zinc/81/48/89/629814889.db2.gz ATCKUVBBGIXCNS-SNVBAGLBSA-N -1 3 264.325 1.925 20 10 CDCDHM O=C([O-])C1=NO[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001608589414 1164559276 /nfs/dbraw/zinc/55/92/76/1164559276.db2.gz PEGLRQGIHLQQQK-CQSZACIVSA-N -1 3 276.292 1.198 20 10 CDCDHM O=C([O-])C1=NO[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001608589414 1164559282 /nfs/dbraw/zinc/55/92/82/1164559282.db2.gz PEGLRQGIHLQQQK-CQSZACIVSA-N -1 3 276.292 1.198 20 10 CDCDHM CCOCC[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590813523 1173520582 /nfs/dbraw/zinc/52/05/82/1173520582.db2.gz SCUHMPUITTZRHZ-GFCCVEGCSA-N -1 3 291.355 1.650 20 10 CDCDHM Cc1cccc(O)c1CN1CCO[C@H](CC(=O)[O-])C1 ZINC001600543433 1174501460 /nfs/dbraw/zinc/50/14/60/1174501460.db2.gz WKQDDHUVPSUVAX-LLVKDONJSA-N -1 3 265.309 1.376 20 10 CDCDHM COc1ccc(N2CCN(c3cc(=O)[n-]cn3)CC2)cc1 ZINC000162796594 843928280 /nfs/dbraw/zinc/92/82/80/843928280.db2.gz CXMSSKYUGLUPPQ-UHFFFAOYSA-N -1 3 286.335 1.105 20 10 CDCDHM COc1cccc(CNC(=O)c2ccc(O)cc2[O-])c1O ZINC000780985639 844667856 /nfs/dbraw/zinc/66/78/56/844667856.db2.gz TUIOQZWINAADKH-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM CCON(C)C(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000883158702 845145801 /nfs/dbraw/zinc/14/58/01/845145801.db2.gz PAVMGHYBCKOSDJ-UHFFFAOYSA-N -1 3 274.267 1.170 20 10 CDCDHM CN(C)C(=O)COC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000839138505 845232017 /nfs/dbraw/zinc/23/20/17/845232017.db2.gz QICVRLISPQNHOG-UHFFFAOYSA-N -1 3 298.770 1.335 20 10 CDCDHM C[C@@H]1CSC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000397945006 845305076 /nfs/dbraw/zinc/30/50/76/845305076.db2.gz SHAWOOHVMQAYJQ-VXNVDRBHSA-N -1 3 253.323 1.579 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000824710674 845876204 /nfs/dbraw/zinc/87/62/04/845876204.db2.gz XVDPOWJJYFZRJK-CYBMUJFWSA-N -1 3 299.754 1.728 20 10 CDCDHM O=C(N[C@@H](CO)C1CCCCC1)c1cccc(O)c1[O-] ZINC000386039318 846021192 /nfs/dbraw/zinc/02/11/92/846021192.db2.gz SJNWXQNXLBPRID-LBPRGKRZSA-N -1 3 279.336 1.769 20 10 CDCDHM CN1C(=O)C2(CCOCC2)N[C@H]1c1cc(F)ccc1[O-] ZINC000887336265 846224036 /nfs/dbraw/zinc/22/40/36/846224036.db2.gz ZNNYMNCDUNKFES-GFCCVEGCSA-N -1 3 280.299 1.141 20 10 CDCDHM CC[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)OC ZINC000817356447 847380742 /nfs/dbraw/zinc/38/07/42/847380742.db2.gz LNTPNWUFONOMRS-SECBINFHSA-N -1 3 277.317 1.698 20 10 CDCDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000790709828 847902293 /nfs/dbraw/zinc/90/22/93/847902293.db2.gz VSVMMGJJXDGGPA-MRVPVSSYSA-N -1 3 279.214 1.405 20 10 CDCDHM C[C@H]1COCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000804616878 847921478 /nfs/dbraw/zinc/92/14/78/847921478.db2.gz DDMFVYMDKHFRHD-UWVGGRQHSA-N -1 3 265.309 1.500 20 10 CDCDHM COC1C[C@@H]2COC[C@H](C1)N2Cc1cccc(F)c1[O-] ZINC001138127273 936475090 /nfs/dbraw/zinc/47/50/90/936475090.db2.gz VKAHHTLCYSLYSL-FUNVUKJBSA-N -1 3 281.327 1.910 20 10 CDCDHM CN1CC[C@@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001273265770 925670419 /nfs/dbraw/zinc/67/04/19/925670419.db2.gz KIJPJFLLMMOACI-HNNXBMFYSA-N -1 3 278.327 1.728 20 10 CDCDHM CCOC(=O)/C=C(/NC(=O)c1cccc(O)c1[O-])OCC ZINC001148224505 932671663 /nfs/dbraw/zinc/67/16/63/932671663.db2.gz NTEHXZRCOHHZEP-FLIBITNWSA-N -1 3 295.291 1.269 20 10 CDCDHM O=C(Nc1cnc2ccccc2n1)c1cc(O)c([O-])c(O)c1 ZINC001148582172 932751695 /nfs/dbraw/zinc/75/16/95/932751695.db2.gz ZFMITYWBSZCXGR-UHFFFAOYSA-N -1 3 297.270 1.999 20 10 CDCDHM O=C(NC1(CC2CC2)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148591258 932754381 /nfs/dbraw/zinc/75/43/81/932754381.db2.gz WFUAPZPDTLIIBP-UHFFFAOYSA-N -1 3 263.293 1.866 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1C ZINC001203664730 939700562 /nfs/dbraw/zinc/70/05/62/939700562.db2.gz SNQKYOSMOXLISC-GFCCVEGCSA-N -1 3 298.770 1.335 20 10 CDCDHM N[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1F ZINC001204842690 939797840 /nfs/dbraw/zinc/79/78/40/939797840.db2.gz ALMBAWTWWGNFJN-ZJUUUORDSA-N -1 3 262.687 1.666 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])c1 ZINC001231454627 942898489 /nfs/dbraw/zinc/89/84/89/942898489.db2.gz HEZNWPDMKNSJJB-CNDDSTCGSA-N -1 3 265.284 1.738 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])c1 ZINC001231454627 942898493 /nfs/dbraw/zinc/89/84/93/942898493.db2.gz HEZNWPDMKNSJJB-CNDDSTCGSA-N -1 3 265.284 1.738 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC001231565493 942930253 /nfs/dbraw/zinc/93/02/53/942930253.db2.gz YKTMRJNAGDCNMB-UHFFFAOYSA-N -1 3 277.320 1.845 20 10 CDCDHM CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566077 942933178 /nfs/dbraw/zinc/93/31/78/942933178.db2.gz PKMCPLQHISBDJR-CYBMUJFWSA-N -1 3 279.336 1.826 20 10 CDCDHM CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566077 942933180 /nfs/dbraw/zinc/93/31/80/942933180.db2.gz PKMCPLQHISBDJR-CYBMUJFWSA-N -1 3 279.336 1.826 20 10 CDCDHM C[C@@]1(O)COCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231910306 943039165 /nfs/dbraw/zinc/03/91/65/943039165.db2.gz LAMAAJYLCNRMPZ-ZDUSSCGKSA-N -1 3 271.744 1.629 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](O)[C@@H](F)CC1 ZINC001233332527 943544048 /nfs/dbraw/zinc/54/40/48/943544048.db2.gz ODDFPSLHBFCUEA-JOYOIKCWSA-N -1 3 275.270 1.965 20 10 CDCDHM O=C([O-])CN1CCC([NH2+]Cc2ccc(Cl)cc2[O-])CC1 ZINC001595079533 951667959 /nfs/dbraw/zinc/66/79/59/951667959.db2.gz NUBBKGAVXTWCCO-UHFFFAOYSA-N -1 3 298.770 1.684 20 10 CDCDHM COc1ccc(O)c(CNCc2cc(C(=O)[O-])nn2C)c1 ZINC000874039933 956098269 /nfs/dbraw/zinc/09/82/69/956098269.db2.gz AFHXGUDCUKIMQG-UHFFFAOYSA-N -1 3 291.307 1.122 20 10 CDCDHM O=C([O-])CN1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC001329776295 956108118 /nfs/dbraw/zinc/10/81/18/956108118.db2.gz XOBKZXURHFZTPV-UHFFFAOYSA-N -1 3 282.315 1.170 20 10 CDCDHM COc1cccc([O-])c1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC001594131839 958683624 /nfs/dbraw/zinc/68/36/24/958683624.db2.gz QEDYVKQBAVGLHJ-SECBINFHSA-N -1 3 253.298 1.553 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC001594131839 958683633 /nfs/dbraw/zinc/68/36/33/958683633.db2.gz QEDYVKQBAVGLHJ-SECBINFHSA-N -1 3 253.298 1.553 20 10 CDCDHM CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354619 994995436 /nfs/dbraw/zinc/99/54/36/994995436.db2.gz VBKDVFXVOYNFHY-JOYOIKCWSA-N -1 3 267.325 1.758 20 10 CDCDHM COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599157073 998390264 /nfs/dbraw/zinc/39/02/64/998390264.db2.gz VVYQQIGBAHBLLT-MEBBXXQBSA-N -1 3 297.351 1.529 20 10 CDCDHM COC(=O)[C@@H](NCc1cc(Cl)cc(C)c1[O-])[C@H](C)O ZINC000191958740 358164421 /nfs/dbraw/zinc/16/44/21/358164421.db2.gz ZXEMBPBUTSMDHW-KWQFWETISA-N -1 3 287.743 1.366 20 10 CDCDHM CC(C)CO[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193133423 358268365 /nfs/dbraw/zinc/26/83/65/358268365.db2.gz YRIKZDYPMOLDQY-NSHDSACASA-N -1 3 279.336 1.985 20 10 CDCDHM CO[C@H](C)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272723189 365366129 /nfs/dbraw/zinc/36/61/29/365366129.db2.gz FROGOZNGZCJWEG-SECBINFHSA-N -1 3 253.298 1.561 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CC(C)(C)OC2=O)c([O-])c1O ZINC000272770778 365389220 /nfs/dbraw/zinc/38/92/20/365389220.db2.gz SGTNUHCUZAFERX-VIFPVBQESA-N -1 3 279.292 1.230 20 10 CDCDHM C[C@@H](NCc1cnn(C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273362509 365488836 /nfs/dbraw/zinc/48/88/36/365488836.db2.gz DFBRNAAZUXCSLO-SECBINFHSA-N -1 3 276.296 1.885 20 10 CDCDHM Cc1ccc(C(=O)NCCC2(O)CCOCC2)c([O-])c1O ZINC000286191608 368722528 /nfs/dbraw/zinc/72/25/28/368722528.db2.gz QZBSTXJTYUKZKX-UHFFFAOYSA-N -1 3 295.335 1.068 20 10 CDCDHM CC[C@@H](NCC(=O)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000285973107 368680834 /nfs/dbraw/zinc/68/08/34/368680834.db2.gz GEKCDMGJPITIRG-CYBMUJFWSA-N -1 3 296.342 1.431 20 10 CDCDHM CC(C)c1nnc(CNC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000295785817 371454173 /nfs/dbraw/zinc/45/41/73/371454173.db2.gz QYVQMUIYOMBWHK-UHFFFAOYSA-N -1 3 276.296 1.269 20 10 CDCDHM COC(=O)CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000176890043 391160623 /nfs/dbraw/zinc/16/06/23/391160623.db2.gz CMLPHDHWVJEIAS-UHFFFAOYSA-N -1 3 269.272 1.339 20 10 CDCDHM O=C(c1cccnc1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000183290844 391260599 /nfs/dbraw/zinc/26/05/99/391260599.db2.gz QGIPQBBTFQVSSH-UHFFFAOYSA-N -1 3 297.358 1.745 20 10 CDCDHM Cc1ccc(C(=O)N(C)C[C@@H]2CCC[C@@H]2O)c([O-])c1O ZINC000182904223 391247139 /nfs/dbraw/zinc/24/71/39/391247139.db2.gz WSXIGBRQVAXNMM-JQWIXIFHSA-N -1 3 279.336 1.639 20 10 CDCDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1ccccc1[O-] ZINC000271440301 391294791 /nfs/dbraw/zinc/29/47/91/391294791.db2.gz RUVXVDAEBGLWBL-AGKHESDQSA-N -1 3 253.367 1.734 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276145045 285569568 /nfs/dbraw/zinc/56/95/68/285569568.db2.gz CXVJVJNPRVKORC-HTQZYQBOSA-N -1 3 272.295 1.846 20 10 CDCDHM C[C@H](O)C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126643461 260355488 /nfs/dbraw/zinc/35/54/88/260355488.db2.gz LIXMVTLWSSZPFX-VHSXEESVSA-N -1 3 265.309 1.473 20 10 CDCDHM C[C@@H]([NH2+][C@@H](C)CCCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589821887 1173186821 /nfs/dbraw/zinc/18/68/21/1173186821.db2.gz YTRZJMQZHGQANS-VHSXEESVSA-N -1 3 291.355 1.384 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]12CCOC2=O ZINC000368454975 267173808 /nfs/dbraw/zinc/17/38/08/267173808.db2.gz MXNKEHZLUWKFHN-CQSZACIVSA-N -1 3 277.276 1.020 20 10 CDCDHM CCn1cnnc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000230658828 333319875 /nfs/dbraw/zinc/31/98/75/333319875.db2.gz RECKMUOKLLKWKZ-SECBINFHSA-N -1 3 264.304 1.994 20 10 CDCDHM CCC[C@H](CNC(=O)c1cccc(O)c1[O-])C(=O)OCC ZINC000279420748 521101379 /nfs/dbraw/zinc/10/13/79/521101379.db2.gz IIEMPGSXHAMMDM-SNVBAGLBSA-N -1 3 295.335 1.807 20 10 CDCDHM COc1c([O-])c(CN2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278194994 521872029 /nfs/dbraw/zinc/87/20/29/521872029.db2.gz IMSFCEJQARYUSB-JTQLQIEISA-N -1 3 296.323 1.920 20 10 CDCDHM COc1c([O-])c(CNCC2(C)OCCO2)ccc1[N+](=O)[O-] ZINC000278465705 521874195 /nfs/dbraw/zinc/87/41/95/521874195.db2.gz GFSCYPQGDQYQSH-UHFFFAOYSA-N -1 3 298.295 1.162 20 10 CDCDHM Cc1ccc(C(=O)N[C@@]2(C)CCOC2)c([O-])c1O ZINC000272706029 526206137 /nfs/dbraw/zinc/20/61/37/526206137.db2.gz CJTPMKQGEBZGKW-ZDUSSCGKSA-N -1 3 251.282 1.315 20 10 CDCDHM C[C@H]1C[C@H](C)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000737745674 574435893 /nfs/dbraw/zinc/43/58/93/574435893.db2.gz WYRWYGDKWJZCRJ-IUCAKERBSA-N -1 3 290.323 1.363 20 10 CDCDHM C[C@@H]1[C@@H](C)N(C(=O)c2cc([O-])cs2)CCN1C ZINC000771418870 575578181 /nfs/dbraw/zinc/57/81/81/575578181.db2.gz OPWWZIPUYWZTDS-RKDXNWHRSA-N -1 3 254.355 1.618 20 10 CDCDHM CCOC(=O)N1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000731865256 575066517 /nfs/dbraw/zinc/06/65/17/575066517.db2.gz MLCALVALKDEBRI-UHFFFAOYSA-N -1 3 298.364 1.804 20 10 CDCDHM O=C(CNC(=O)c1cc([O-])cs1)NCc1ccccc1 ZINC000731869479 575069132 /nfs/dbraw/zinc/06/91/32/575069132.db2.gz IPWWPVJQQDEHHW-UHFFFAOYSA-N -1 3 290.344 1.500 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)C(=O)N1CCCC[C@H]1C ZINC000732282339 575086546 /nfs/dbraw/zinc/08/65/46/575086546.db2.gz MKANVABJCNHXFY-NXEZZACHSA-N -1 3 296.392 1.973 20 10 CDCDHM COC(=O)CSCCNC(=O)c1cc([O-])cs1 ZINC000732287741 575087042 /nfs/dbraw/zinc/08/70/42/575087042.db2.gz DYNJQXTWWZNSSP-UHFFFAOYSA-N -1 3 275.351 1.090 20 10 CDCDHM CNC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732293563 575087332 /nfs/dbraw/zinc/08/73/32/575087332.db2.gz MXIUFMKIBQUUNX-MRVPVSSYSA-N -1 3 268.338 1.052 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)NCC1CCC1 ZINC000732354342 575088118 /nfs/dbraw/zinc/08/81/18/575088118.db2.gz JVOKJTFATMASEZ-UHFFFAOYSA-N -1 3 269.322 1.527 20 10 CDCDHM Cc1ccc(C(=O)NOCc2cccnc2)c([O-])c1O ZINC000770501498 575457253 /nfs/dbraw/zinc/45/72/53/575457253.db2.gz NHHIPKNJUCFCET-UHFFFAOYSA-N -1 3 274.276 1.663 20 10 CDCDHM CCOc1ccc(CN2CCn3ncnc3C2)c([O-])c1 ZINC000770664592 575483666 /nfs/dbraw/zinc/48/36/66/575483666.db2.gz SYIOZFNYZMYHRL-UHFFFAOYSA-N -1 3 274.324 1.398 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](CCO)C1 ZINC000765227538 576000294 /nfs/dbraw/zinc/00/02/94/576000294.db2.gz BLNVDYDDVXSTGG-VIFPVBQESA-N -1 3 255.339 1.688 20 10 CDCDHM C[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CC(C)(C)O1 ZINC000768441524 576282483 /nfs/dbraw/zinc/28/24/83/576282483.db2.gz DBSYLOXVBRPXTE-HZMBPMFUSA-N -1 3 293.363 1.817 20 10 CDCDHM CC1(C)[C@H](NC(=O)c2cc([O-])cs2)[C@@H]2CCO[C@H]21 ZINC000741292641 576550208 /nfs/dbraw/zinc/55/02/08/576550208.db2.gz FHNAYOJQISQCCO-JMJZKYOTSA-N -1 3 267.350 1.997 20 10 CDCDHM COc1cccc([O-])c1CN1CCCC2(C1)OCCO2 ZINC000761216498 576560452 /nfs/dbraw/zinc/56/04/52/576560452.db2.gz ZGRLDMMVTADCCR-UHFFFAOYSA-N -1 3 279.336 1.740 20 10 CDCDHM C[C@@H](N[C@@H]1CCCCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000756395910 576988616 /nfs/dbraw/zinc/98/86/16/576988616.db2.gz KWWJOJRLCXIEJF-PRHODGIISA-N -1 3 284.306 1.990 20 10 CDCDHM COC(=O)[C@]1(F)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000752812376 577129083 /nfs/dbraw/zinc/12/90/83/577129083.db2.gz GNBZYBULXBVXHA-NSHDSACASA-N -1 3 273.285 1.181 20 10 CDCDHM CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](C)Cc2ccccc2[O-])O1 ZINC000833585793 605365429 /nfs/dbraw/zinc/36/54/29/605365429.db2.gz YRXFQYQJCIYMHG-LBPRGKRZSA-N -1 3 277.320 1.972 20 10 CDCDHM CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)Cc2ccccc2[O-])O1 ZINC000833585793 605365431 /nfs/dbraw/zinc/36/54/31/605365431.db2.gz YRXFQYQJCIYMHG-LBPRGKRZSA-N -1 3 277.320 1.972 20 10 CDCDHM C[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589965876 1173215979 /nfs/dbraw/zinc/21/59/79/1173215979.db2.gz RHNOSOBPHTUEEI-UWVGGRQHSA-N -1 3 289.339 1.402 20 10 CDCDHM COC(C)(C)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591314733 1173600998 /nfs/dbraw/zinc/60/09/98/1173600998.db2.gz REAJKJSWDVRIHT-SECBINFHSA-N -1 3 291.355 1.648 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1CO ZINC000126279155 1175449075 /nfs/dbraw/zinc/44/90/75/1175449075.db2.gz XAHCASWTWGAOCE-SECBINFHSA-N -1 3 251.282 1.085 20 10 CDCDHM O=C(NCCc1ccc(O)cc1)c1cccc(O)c1[O-] ZINC000126277671 698060453 /nfs/dbraw/zinc/06/04/53/698060453.db2.gz GJIYPMCTPZOLQU-UHFFFAOYSA-N -1 3 273.288 1.776 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](CO)CC1 ZINC000294565796 698063901 /nfs/dbraw/zinc/06/39/01/698063901.db2.gz NPNBUKZUQPHUDE-SNVBAGLBSA-N -1 3 265.309 1.332 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCS(=O)CC2)c1[O-] ZINC000049692130 698355237 /nfs/dbraw/zinc/35/52/37/698355237.db2.gz IJUQWRCOVRVZFI-UHFFFAOYSA-N -1 3 285.340 1.298 20 10 CDCDHM CN(Cc1nncn1C)Cc1c([O-])ccc2ccncc21 ZINC000808214667 698421868 /nfs/dbraw/zinc/42/18/68/698421868.db2.gz PQOAMBRMUQOFKV-UHFFFAOYSA-N -1 3 283.335 1.701 20 10 CDCDHM O=C(NCCN1CCc2ccccc21)c1cccc(O)c1[O-] ZINC000790550346 704989903 /nfs/dbraw/zinc/98/99/03/704989903.db2.gz AHSAELPVCUZUBL-UHFFFAOYSA-N -1 3 298.342 1.890 20 10 CDCDHM Cn1cc([C@@H](CO)NCc2cc(F)cc(F)c2[O-])cn1 ZINC000883076443 705210947 /nfs/dbraw/zinc/21/09/47/705210947.db2.gz DDFNIHCMCADVMJ-GFCCVEGCSA-N -1 3 283.278 1.227 20 10 CDCDHM O=C([O-])C1=NO[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001608589412 1164559884 /nfs/dbraw/zinc/55/98/84/1164559884.db2.gz PEGLRQGIHLQQQK-AWEZNQCLSA-N -1 3 276.292 1.198 20 10 CDCDHM O=C([O-])C1=NO[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001608589412 1164559887 /nfs/dbraw/zinc/55/98/87/1164559887.db2.gz PEGLRQGIHLQQQK-AWEZNQCLSA-N -1 3 276.292 1.198 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000126734386 848323391 /nfs/dbraw/zinc/32/33/91/848323391.db2.gz FLDXPSGSBWQXRM-MRVPVSSYSA-N -1 3 281.308 1.558 20 10 CDCDHM O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(O)c1[O-] ZINC000186752690 848412533 /nfs/dbraw/zinc/41/25/33/848412533.db2.gz HHRGHMNTFOQNAG-UHFFFAOYSA-N -1 3 285.259 1.520 20 10 CDCDHM Cc1cc([O-])c([C@@H]2NC(=O)[C@H]3CSCCN23)cc1Cl ZINC000849183735 848504287 /nfs/dbraw/zinc/50/42/87/848504287.db2.gz VYYZHEOKBTVYSJ-ZYHUDNBSSA-N -1 3 298.795 1.900 20 10 CDCDHM O=C(Nn1cnc2ccccc21)c1cccc(O)c1[O-] ZINC000186797780 848597252 /nfs/dbraw/zinc/59/72/52/848597252.db2.gz ARPFXNZCVHJRBJ-UHFFFAOYSA-N -1 3 269.260 1.831 20 10 CDCDHM O=C(NCCCSc1nccs1)c1cc(=O)[n-]cn1 ZINC000859352094 848793957 /nfs/dbraw/zinc/79/39/57/848793957.db2.gz MITHPNBWKGWYHA-UHFFFAOYSA-N -1 3 296.377 1.551 20 10 CDCDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])CC(C)C ZINC000841444038 848816174 /nfs/dbraw/zinc/81/61/74/848816174.db2.gz BOIXAISGFIHJQU-JTQLQIEISA-N -1 3 267.325 1.889 20 10 CDCDHM Cc1cc([O-])c(CN(C)CC(=O)N(C)C)cc1Cl ZINC000824528965 848983891 /nfs/dbraw/zinc/98/38/91/848983891.db2.gz DWIGFLHQTPQUDI-UHFFFAOYSA-N -1 3 270.760 1.874 20 10 CDCDHM CCn1nncc1CN[C@@H](C)c1c([O-])cccc1F ZINC000886641896 849015752 /nfs/dbraw/zinc/01/57/52/849015752.db2.gz VGHAVMLANGHZOJ-VIFPVBQESA-N -1 3 264.304 1.994 20 10 CDCDHM CCN(OC)C(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000883152827 850347656 /nfs/dbraw/zinc/34/76/56/850347656.db2.gz IOIUGRFXRSHKJP-UHFFFAOYSA-N -1 3 274.267 1.170 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCO[C@@]2(CCOC2)C1 ZINC001137832654 936417493 /nfs/dbraw/zinc/41/74/93/936417493.db2.gz CJCUXKXOFCGRHR-AWEZNQCLSA-N -1 3 267.300 1.523 20 10 CDCDHM [O-]c1c(O)cc(-c2nnc([C@H]3CCOC3)o2)cc1O ZINC001255509298 936715737 /nfs/dbraw/zinc/71/57/37/936715737.db2.gz CXPAXNMRJSXBPP-LURJTMIESA-N -1 3 264.237 1.357 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CCN2CC[C@@H]2C1 ZINC001140585328 936728316 /nfs/dbraw/zinc/72/83/16/936728316.db2.gz FOXKHWQADWMBPD-SNVBAGLBSA-N -1 3 254.280 1.560 20 10 CDCDHM CN1CC[C@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001273265771 925670903 /nfs/dbraw/zinc/67/09/03/925670903.db2.gz KIJPJFLLMMOACI-OAHLLOKOSA-N -1 3 278.327 1.728 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](F)[C@@H](O)CC1 ZINC001142508710 937025387 /nfs/dbraw/zinc/02/53/87/937025387.db2.gz IWKKYDOPSKWXKH-SKDRFNHKSA-N -1 3 275.270 1.965 20 10 CDCDHM O=C(NCc1cc(O)ccc1O)c1cccc2n[n-]nc21 ZINC001153884998 937480494 /nfs/dbraw/zinc/48/04/94/937480494.db2.gz IRKIFMOWEVLUDJ-UHFFFAOYSA-N -1 3 284.275 1.299 20 10 CDCDHM C[C@@](CO)(NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000134384805 937543540 /nfs/dbraw/zinc/54/35/40/937543540.db2.gz BCYWSJZWZYIRAH-INIZCTEOSA-N -1 3 287.315 1.735 20 10 CDCDHM COC(=O)c1onc(C)c1NC(=O)c1cccc(O)c1[O-] ZINC001148212027 932668773 /nfs/dbraw/zinc/66/87/73/932668773.db2.gz IFZXTRCMLOTVPW-UHFFFAOYSA-N -1 3 292.247 1.433 20 10 CDCDHM Nc1ccc(NC(=O)c2cccc(O)c2[O-])c(CCO)c1 ZINC001148218972 932670221 /nfs/dbraw/zinc/67/02/21/932670221.db2.gz PQJXPJJHMIQFHO-UHFFFAOYSA-N -1 3 288.303 1.467 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001148218476 932670425 /nfs/dbraw/zinc/67/04/25/932670425.db2.gz DWJMPZMNDIURCP-CYBMUJFWSA-N -1 3 299.273 1.738 20 10 CDCDHM C[C@@]1(CO)CCCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148582867 932751088 /nfs/dbraw/zinc/75/10/88/932751088.db2.gz OJGJZTVLUFLLJX-OAHLLOKOSA-N -1 3 295.335 1.428 20 10 CDCDHM C[C@@H](O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000688865416 934740549 /nfs/dbraw/zinc/74/05/49/934740549.db2.gz XOGTVUVSXPHYLC-ZJUUUORDSA-N -1 3 265.309 1.331 20 10 CDCDHM CCOC(OCC)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001160177514 938773995 /nfs/dbraw/zinc/77/39/95/938773995.db2.gz XLVRVNMTCYWJLW-VIFPVBQESA-N -1 3 283.324 1.615 20 10 CDCDHM COC[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445902 942892174 /nfs/dbraw/zinc/89/21/74/942892174.db2.gz CKDUDGGESQAZRR-SNVBAGLBSA-N -1 3 265.309 1.559 20 10 CDCDHM COC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445902 942892178 /nfs/dbraw/zinc/89/21/78/942892178.db2.gz CKDUDGGESQAZRR-SNVBAGLBSA-N -1 3 265.309 1.559 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c([O-])c1 ZINC001231449630 942893802 /nfs/dbraw/zinc/89/38/02/942893802.db2.gz JVSMACABNINQKW-TXEJJXNPSA-N -1 3 275.304 1.786 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c([O-])c1 ZINC001231449630 942893805 /nfs/dbraw/zinc/89/38/05/942893805.db2.gz JVSMACABNINQKW-TXEJJXNPSA-N -1 3 275.304 1.786 20 10 CDCDHM C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@@]1(C)O ZINC001231560785 942925921 /nfs/dbraw/zinc/92/59/21/942925921.db2.gz MLIBDHUKXOYCFS-MEBBXXQBSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@@]1(C)O ZINC001231560785 942925931 /nfs/dbraw/zinc/92/59/31/942925931.db2.gz MLIBDHUKXOYCFS-MEBBXXQBSA-N -1 3 279.336 1.683 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCN(CCCO)CC1 ZINC001231909663 943052488 /nfs/dbraw/zinc/05/24/88/943052488.db2.gz HJHRRVNIRYEKQJ-UHFFFAOYSA-N -1 3 284.787 1.546 20 10 CDCDHM COC(=O)C1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232261241 943192147 /nfs/dbraw/zinc/19/21/47/943192147.db2.gz XQIWUXGYAXSKSQ-UHFFFAOYSA-N -1 3 271.700 1.356 20 10 CDCDHM C[C@@H]1C(=O)NCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454502 943588614 /nfs/dbraw/zinc/58/86/14/943588614.db2.gz WXGVYCQEMYNKFK-MRVPVSSYSA-N -1 3 288.269 1.731 20 10 CDCDHM COc1cc([O-])c(CN2CC[C@](F)(CO)C2)c(Cl)c1 ZINC001236798239 944571147 /nfs/dbraw/zinc/57/11/47/944571147.db2.gz MALWWDWLIGQHAD-CYBMUJFWSA-N -1 3 289.734 1.961 20 10 CDCDHM C[C@@]1(O)COCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237123653 944660582 /nfs/dbraw/zinc/66/05/82/944660582.db2.gz JWHVHSYQJFIIQR-ZDUSSCGKSA-N -1 3 289.734 1.768 20 10 CDCDHM [O-]c1c(O)c(O)ccc1-c1nnc([C@@H]2CCOC2)o1 ZINC001255509360 947959405 /nfs/dbraw/zinc/95/94/05/947959405.db2.gz DLEOBJNEJHNONH-ZCFIWIBFSA-N -1 3 264.237 1.357 20 10 CDCDHM COc1cncc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001303875331 956126749 /nfs/dbraw/zinc/12/67/49/956126749.db2.gz DNHWWJBYFWHNAA-UHFFFAOYSA-N -1 3 277.255 1.260 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)c1cccnc1F ZINC001303876393 956127094 /nfs/dbraw/zinc/12/70/94/956127094.db2.gz ZOBUMUDYJGLGDK-UHFFFAOYSA-N -1 3 264.231 1.995 20 10 CDCDHM C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593275397 994628876 /nfs/dbraw/zinc/62/88/76/994628876.db2.gz SMASJSBTGVFUIM-SNVBAGLBSA-N -1 3 289.335 1.717 20 10 CDCDHM C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593360479 995023129 /nfs/dbraw/zinc/02/31/29/995023129.db2.gz RXARYTIPDFRNKW-UJNFCWOMSA-N -1 3 278.308 1.005 20 10 CDCDHM COc1ccc(CNCc2cc(C(=O)[O-])co2)c(O)c1 ZINC001599573230 998400109 /nfs/dbraw/zinc/40/01/09/998400109.db2.gz WVEUXRMLKFVICP-UHFFFAOYSA-N -1 3 277.276 1.982 20 10 CDCDHM NC(=O)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179944355 357232664 /nfs/dbraw/zinc/23/26/64/357232664.db2.gz NPJBOCHAQPCYRC-UHFFFAOYSA-N -1 3 283.759 1.632 20 10 CDCDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(F)ccc1[O-] ZINC000180180146 357249992 /nfs/dbraw/zinc/24/99/92/357249992.db2.gz OMURDONDGLQQEI-NXEZZACHSA-N -1 3 287.356 1.539 20 10 CDCDHM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cccc(O)c1[O-] ZINC000294389412 199020982 /nfs/dbraw/zinc/02/09/82/199020982.db2.gz SLTNWJGWIKSHAS-YMTOWFKASA-N -1 3 265.309 1.379 20 10 CDCDHM C[C@H]1CN(Cc2ccccc2[O-])CCS(=O)(=O)C1 ZINC000192067876 358173032 /nfs/dbraw/zinc/17/30/32/358173032.db2.gz YJXMQRMFDFNYDQ-NSHDSACASA-N -1 3 269.366 1.259 20 10 CDCDHM O=C(Nc1nnc2n1CCCC2)c1cccc(O)c1[O-] ZINC000193157423 358270333 /nfs/dbraw/zinc/27/03/33/358270333.db2.gz HVDMEFKMBNMCHI-UHFFFAOYSA-N -1 3 274.280 1.278 20 10 CDCDHM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(O)c1[O-] ZINC000193164491 358270945 /nfs/dbraw/zinc/27/09/45/358270945.db2.gz GKFLKORRCNLQEN-ZWNOBZJWSA-N -1 3 277.320 1.785 20 10 CDCDHM CCCOc1ccc(CN2CCNC(=O)[C@H]2C)c([O-])c1 ZINC000123498166 360291033 /nfs/dbraw/zinc/29/10/33/360291033.db2.gz AXJUFHKTXOEPJK-LLVKDONJSA-N -1 3 278.352 1.501 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@](O)(C2CC2)C1 ZINC000365925586 360563051 /nfs/dbraw/zinc/56/30/51/360563051.db2.gz JCOHOCVZOLYCJE-CQSZACIVSA-N -1 3 263.293 1.085 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C(N)=O)O1 ZINC000271247946 364978229 /nfs/dbraw/zinc/97/82/29/364978229.db2.gz CWJKXSRKSXVVSN-PELKAZGASA-N -1 3 284.743 1.120 20 10 CDCDHM CN(Cc1ncnn1CCF)Cc1ccccc1[O-] ZINC000281688098 367674827 /nfs/dbraw/zinc/67/48/27/367674827.db2.gz RQAASAFAFAJPTO-UHFFFAOYSA-N -1 3 264.304 1.585 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1CC[C@H](CO)C1 ZINC000092762981 390551729 /nfs/dbraw/zinc/55/17/29/390551729.db2.gz MKGWPYADKCYJRI-VIFPVBQESA-N -1 3 286.169 1.969 20 10 CDCDHM Cc1ccc(C(=O)N2CCN(CC(C)C)CC2)c([O-])c1O ZINC000179395772 391203999 /nfs/dbraw/zinc/20/39/99/391203999.db2.gz KPBGIPPWKNZKKU-UHFFFAOYSA-N -1 3 292.379 1.820 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)Cn2cccn2)c([O-])c1O ZINC000271331312 391293615 /nfs/dbraw/zinc/29/36/15/391293615.db2.gz ZCCWUCPKWMTQBZ-JTQLQIEISA-N -1 3 275.308 1.421 20 10 CDCDHM CC(=O)C(=O)CSc1c(C)cccc1-c1nnn[n-]1 ZINC001588782817 1173107497 /nfs/dbraw/zinc/10/74/97/1173107497.db2.gz XHOIVSJOTNLQLS-UHFFFAOYSA-N -1 3 276.321 1.425 20 10 CDCDHM CC(=O)C(=O)CSc1c(C)cccc1-c1nn[n-]n1 ZINC001588782817 1173107500 /nfs/dbraw/zinc/10/75/00/1173107500.db2.gz XHOIVSJOTNLQLS-UHFFFAOYSA-N -1 3 276.321 1.425 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](C)C2)c1[O-] ZINC000037322652 260159723 /nfs/dbraw/zinc/15/97/23/260159723.db2.gz VDFXDCOIBAIQGB-VIFPVBQESA-N -1 3 267.300 1.955 20 10 CDCDHM CC(C)CN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126387710 260350654 /nfs/dbraw/zinc/35/06/54/260350654.db2.gz CWWWOODVCQRFIT-UHFFFAOYSA-N -1 3 278.352 1.512 20 10 CDCDHM C[C@H](O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126644545 260355041 /nfs/dbraw/zinc/35/50/41/260355041.db2.gz FBUNEXTZTWHNLG-WDEREUQCSA-N -1 3 279.336 1.863 20 10 CDCDHM CCCCCN1CC(=O)N[C@@H]1c1cc2c(cc1[O-])OCO2 ZINC000182333780 261934754 /nfs/dbraw/zinc/93/47/54/261934754.db2.gz BPQUQFAUWULELZ-HNNXBMFYSA-N -1 3 292.335 1.742 20 10 CDCDHM COc1cc(Cl)cc(CN2CCN(C)C(=O)C2)c1[O-] ZINC000184695153 262026270 /nfs/dbraw/zinc/02/62/70/262026270.db2.gz VWAKLDRSHLEVEE-UHFFFAOYSA-N -1 3 284.743 1.328 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000363926642 262036929 /nfs/dbraw/zinc/03/69/29/262036929.db2.gz KHIGWCBZEZBHBZ-CHWSQXEVSA-N -1 3 293.319 1.118 20 10 CDCDHM C[C@@H](NCCS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000185226463 262046741 /nfs/dbraw/zinc/04/67/41/262046741.db2.gz SLJPXYVXVCNDKJ-MRVPVSSYSA-N -1 3 277.773 1.741 20 10 CDCDHM C[C@H]([NH2+][C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589973605 1173218003 /nfs/dbraw/zinc/21/80/03/1173218003.db2.gz HVMIMSFZJXPPBV-DTWKUNHWSA-N -1 3 275.312 1.012 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(O)(c2ccccc2)C1 ZINC000377124400 268049836 /nfs/dbraw/zinc/04/98/36/268049836.db2.gz XYCKWKKFGZXPBF-UHFFFAOYSA-N -1 3 285.299 1.441 20 10 CDCDHM CSCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591700286 1173688338 /nfs/dbraw/zinc/68/83/38/1173688338.db2.gz QZNBAUBGZHYQTC-QMMMGPOBSA-N -1 3 279.369 1.586 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000187197411 329354415 /nfs/dbraw/zinc/35/44/15/329354415.db2.gz RMWAHIGHTICOEZ-MFKMUULPSA-N -1 3 277.320 1.739 20 10 CDCDHM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cccc(O)c1[O-] ZINC000193069212 329438762 /nfs/dbraw/zinc/43/87/62/329438762.db2.gz YYBHMFMEVCGKRH-SECBINFHSA-N -1 3 273.292 1.108 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000134129809 334081562 /nfs/dbraw/zinc/08/15/62/334081562.db2.gz SOJVIRSJLRPLEG-CQSZACIVSA-N -1 3 296.798 1.952 20 10 CDCDHM COC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@H](C)O1 ZINC000276117634 522503662 /nfs/dbraw/zinc/50/36/62/522503662.db2.gz XYPPWJQKEUDZKZ-QWRGUYRKSA-N -1 3 295.335 1.282 20 10 CDCDHM C[C@H](NCc1cccc(Cl)c1[O-])C(=O)N(C)C ZINC000127873280 525456144 /nfs/dbraw/zinc/45/61/44/525456144.db2.gz XFGUFCCVAIILGQ-QMMMGPOBSA-N -1 3 256.733 1.612 20 10 CDCDHM NC(=O)COc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731868290 575068666 /nfs/dbraw/zinc/06/86/66/575068666.db2.gz ATNMDOCJQYGSLQ-UHFFFAOYSA-N -1 3 292.316 1.570 20 10 CDCDHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000733365803 575116755 /nfs/dbraw/zinc/11/67/55/575116755.db2.gz SNVJZDRIRVIVTA-QMMMGPOBSA-N -1 3 291.394 1.349 20 10 CDCDHM C[C@@H](C[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CC1)C(=O)[O-] ZINC000736583253 575698171 /nfs/dbraw/zinc/69/81/71/575698171.db2.gz LZTYXKXNAPSREL-VIFPVBQESA-N -1 3 293.319 1.806 20 10 CDCDHM C[C@@H](C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CC1)C(=O)[O-] ZINC000736583253 575698172 /nfs/dbraw/zinc/69/81/72/575698172.db2.gz LZTYXKXNAPSREL-VIFPVBQESA-N -1 3 293.319 1.806 20 10 CDCDHM Cc1cc(COC(=O)c2cc([O-])cs2)nn1C ZINC000768033531 576250648 /nfs/dbraw/zinc/25/06/48/576250648.db2.gz UDPBKPXVUHLBML-UHFFFAOYSA-N -1 3 252.295 1.853 20 10 CDCDHM COc1cccc([O-])c1CN1CCCS(=O)(=O)CC1 ZINC000769399792 576352204 /nfs/dbraw/zinc/35/22/04/576352204.db2.gz MQSGTZBJYWGUME-UHFFFAOYSA-N -1 3 285.365 1.021 20 10 CDCDHM O=C(NCCCOC[C@@H]1CCOC1)c1cc([O-])cs1 ZINC000740928993 576524225 /nfs/dbraw/zinc/52/42/25/576524225.db2.gz WLRIOBYOJLZRMN-JTQLQIEISA-N -1 3 285.365 1.627 20 10 CDCDHM CC1(C)[C@H](NC(=O)c2cc([O-])cs2)[C@H]2CCO[C@@H]21 ZINC000741292639 576550067 /nfs/dbraw/zinc/55/00/67/576550067.db2.gz FHNAYOJQISQCCO-IEBDPFPHSA-N -1 3 267.350 1.997 20 10 CDCDHM COC1(CNC(=O)c2cc([O-])cs2)CCOCC1 ZINC000747617600 576876979 /nfs/dbraw/zinc/87/69/79/576876979.db2.gz RWBDHOYZSDPQCH-UHFFFAOYSA-N -1 3 271.338 1.379 20 10 CDCDHM [O-]c1c(F)cc(Cl)cc1CN[C@]1(CO)CCOC1 ZINC000757978234 577064888 /nfs/dbraw/zinc/06/48/88/577064888.db2.gz LIJCGQPLVOPJFA-LBPRGKRZSA-N -1 3 275.707 1.426 20 10 CDCDHM Cc1cc(O)c(CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1C ZINC001607698617 1164272711 /nfs/dbraw/zinc/27/27/11/1164272711.db2.gz AZLGNXGDMKFTCA-VXGBXAGGSA-N -1 3 265.309 1.029 20 10 CDCDHM C[C@H]([NH2+]CC1(O)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781212 1165079394 /nfs/dbraw/zinc/07/93/94/1165079394.db2.gz WVDLRQRJTZFCCL-VIFPVBQESA-N -1 3 265.309 1.656 20 10 CDCDHM O=C([O-])[C@H]1C[NH2+]CCCN1Cc1cc(Cl)ccc1[O-] ZINC001601852332 1175036513 /nfs/dbraw/zinc/03/65/13/1175036513.db2.gz FHTUAYMUVJKRBO-LLVKDONJSA-N -1 3 284.743 1.294 20 10 CDCDHM NC(=O)[C@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000160328658 705754981 /nfs/dbraw/zinc/75/49/81/705754981.db2.gz FVEOKJPEUQWMNE-SNVBAGLBSA-N -1 3 254.717 1.495 20 10 CDCDHM CC(=O)N[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000228301340 706241306 /nfs/dbraw/zinc/24/13/06/706241306.db2.gz PVVMVUQLJHNTLO-CYBMUJFWSA-N -1 3 294.326 1.444 20 10 CDCDHM COCC1(O)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839142959 711396839 /nfs/dbraw/zinc/39/68/39/711396839.db2.gz MAOKVFWDQBLPAI-UHFFFAOYSA-N -1 3 257.717 1.239 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CCCN1Cc1cc(OC)ccc1O ZINC001606833862 1164009096 /nfs/dbraw/zinc/00/90/96/1164009096.db2.gz WGMDMCYRFJDWTE-OAHLLOKOSA-N -1 3 295.335 1.466 20 10 CDCDHM O=C(NCc1nc2ccccc2[nH]1)c1cccc(O)c1[O-] ZINC000126646147 710225633 /nfs/dbraw/zinc/22/56/33/710225633.db2.gz WEYYDEUGGNKCOW-UHFFFAOYSA-N -1 3 283.287 1.904 20 10 CDCDHM CON(C)C(=O)[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000858586808 710569056 /nfs/dbraw/zinc/56/90/56/710569056.db2.gz HEHGYYCQPNOJTB-HTQZYQBOSA-N -1 3 288.294 1.729 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccnc1 ZINC000126253377 711512349 /nfs/dbraw/zinc/51/23/49/711512349.db2.gz VROVBWSIUZUHPE-VIFPVBQESA-N -1 3 258.277 1.984 20 10 CDCDHM CC[C@H](C)C[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000844032635 711806365 /nfs/dbraw/zinc/80/63/65/711806365.db2.gz GKPXRDSBCBHGSF-UWVGGRQHSA-N -1 3 267.325 1.625 20 10 CDCDHM O=C([O-])[C@H]1CSCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001601856180 1167805763 /nfs/dbraw/zinc/80/57/63/1167805763.db2.gz IFHOTLSUOAMYCE-SNVBAGLBSA-N -1 3 285.340 1.781 20 10 CDCDHM O=C([O-])[C@H]1CSCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001601856180 1167805770 /nfs/dbraw/zinc/80/57/70/1167805770.db2.gz IFHOTLSUOAMYCE-SNVBAGLBSA-N -1 3 285.340 1.781 20 10 CDCDHM O=S(=O)([N-]Cc1ccccc1O)c1cccnc1Cl ZINC000158581646 897601296 /nfs/dbraw/zinc/60/12/96/897601296.db2.gz IJFFHLRFAQVNCZ-UHFFFAOYSA-N -1 3 298.751 1.919 20 10 CDCDHM O=C1NCC2(CCN(Cc3cc(F)c(F)cc3[O-])CC2)O1 ZINC001142527091 908865025 /nfs/dbraw/zinc/86/50/25/908865025.db2.gz KIWYIBXKKRRWLT-UHFFFAOYSA-N -1 3 298.289 1.745 20 10 CDCDHM CC(C)(O)C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000228871110 911993193 /nfs/dbraw/zinc/99/31/93/911993193.db2.gz CCZPABHENPANDO-UHFFFAOYSA-N -1 3 253.298 1.377 20 10 CDCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@H](CO)[C@@H](O)C1 ZINC001237120099 917322891 /nfs/dbraw/zinc/32/28/91/917322891.db2.gz JALCZFBSQPJVDU-UFBFGSQYSA-N -1 3 289.734 1.360 20 10 CDCDHM [O-]c1c(F)cccc1CN1C[C@H](F)C[C@H](CO)C1 ZINC001138122402 936473703 /nfs/dbraw/zinc/47/37/03/936473703.db2.gz BZPZKBSQEUHYEP-GXSJLCMTSA-N -1 3 257.280 1.684 20 10 CDCDHM CN1CCCN(Cc2ccc(Cl)cc2[O-])CC1=O ZINC001140466396 936712297 /nfs/dbraw/zinc/71/22/97/936712297.db2.gz FFWSVJQQWXXBPW-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM COC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461728 936712371 /nfs/dbraw/zinc/71/23/71/936712371.db2.gz SDBKFJQSVVUAHD-UHFFFAOYSA-N -1 3 284.743 1.930 20 10 CDCDHM O=C1CC[C@@H]2CN(Cc3cccc(F)c3[O-])CCN12 ZINC000160252938 925100260 /nfs/dbraw/zinc/10/02/60/925100260.db2.gz AWODZBZLZBSLEE-LLVKDONJSA-N -1 3 264.300 1.338 20 10 CDCDHM CC(C)[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC001148218806 932670417 /nfs/dbraw/zinc/67/04/17/932670417.db2.gz LXUGKSFNCOAXNY-LLVKDONJSA-N -1 3 265.309 1.595 20 10 CDCDHM O=C(NC1(c2ccccn2)CC1)c1cccc(O)c1[O-] ZINC001148220159 932671685 /nfs/dbraw/zinc/67/16/85/932671685.db2.gz UMHVGLKERHJFDO-UHFFFAOYSA-N -1 3 270.288 1.912 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cncnc1 ZINC001148220220 932672141 /nfs/dbraw/zinc/67/21/41/932672141.db2.gz ZEYZLVFXZOBYOV-MRVPVSSYSA-N -1 3 259.265 1.379 20 10 CDCDHM O=C(Nc1ccc2c(c1)CCO2)c1cc(O)c([O-])c(O)c1 ZINC001148587789 932752508 /nfs/dbraw/zinc/75/25/08/932752508.db2.gz MHGXGWSYNOXGDW-UHFFFAOYSA-N -1 3 287.271 1.991 20 10 CDCDHM O=C(NCCCc1ccncc1)c1cc(O)c([O-])c(O)c1 ZINC001148589854 932755307 /nfs/dbraw/zinc/75/53/07/932755307.db2.gz NUYCTRAKCOQNGI-UHFFFAOYSA-N -1 3 288.303 1.561 20 10 CDCDHM C[C@H](O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000688865415 934740198 /nfs/dbraw/zinc/74/01/98/934740198.db2.gz XOGTVUVSXPHYLC-VHSXEESVSA-N -1 3 265.309 1.331 20 10 CDCDHM O=C([O-])c1ccc(CN2CCCC23COC3)c(O)c1 ZINC001231452698 942895987 /nfs/dbraw/zinc/89/59/87/942895987.db2.gz RXPBOCZJCUASIA-UHFFFAOYSA-N -1 3 263.293 1.455 20 10 CDCDHM C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560472 942926526 /nfs/dbraw/zinc/92/65/26/942926526.db2.gz IZZUNNXGXLTZNJ-QWRGUYRKSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560472 942926531 /nfs/dbraw/zinc/92/65/31/942926531.db2.gz IZZUNNXGXLTZNJ-QWRGUYRKSA-N -1 3 279.336 1.683 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@@H](CO)CC2)c1 ZINC001231561648 942928421 /nfs/dbraw/zinc/92/84/21/942928421.db2.gz XNEZXJOFJVPABB-LLVKDONJSA-N -1 3 279.336 1.685 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC001231561648 942928425 /nfs/dbraw/zinc/92/84/25/942928425.db2.gz XNEZXJOFJVPABB-LLVKDONJSA-N -1 3 279.336 1.685 20 10 CDCDHM Cc1cc([O-])c(CN2CC(N(C)C3COC3)C2)cc1Cl ZINC001231870458 943036405 /nfs/dbraw/zinc/03/64/05/943036405.db2.gz CCJPMVKPODYBRB-UHFFFAOYSA-N -1 3 296.798 1.869 20 10 CDCDHM O=C1OC[C@H]2CN(Cc3cc(Cl)c([O-])cc3O)CCN12 ZINC001232269121 943197571 /nfs/dbraw/zinc/19/75/71/943197571.db2.gz WHBSSODBFYJRCC-SECBINFHSA-N -1 3 298.726 1.388 20 10 CDCDHM CNC(=O)NC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336740 943549252 /nfs/dbraw/zinc/54/92/52/943549252.db2.gz XPHYJNBMRBDGKZ-UHFFFAOYSA-N -1 3 299.321 1.564 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)c1cnn2cccnc12 ZINC001303877800 956130235 /nfs/dbraw/zinc/13/02/35/956130235.db2.gz HTDBWIJMTVWANR-UHFFFAOYSA-N -1 3 286.266 1.504 20 10 CDCDHM CN(C)C(=O)CNCc1cc(Cl)cc(F)c1[O-] ZINC001308256210 956502707 /nfs/dbraw/zinc/50/27/07/956502707.db2.gz HHERSWHIWVUHBL-UHFFFAOYSA-N -1 3 260.696 1.363 20 10 CDCDHM CC[C@H](C[NH2+]Cc1c(C)cc(OC)cc1[O-])C(=O)[O-] ZINC001573805050 960849119 /nfs/dbraw/zinc/84/91/19/960849119.db2.gz DQNCTLBGNPLYOO-SNVBAGLBSA-N -1 3 267.325 1.910 20 10 CDCDHM COc1cccc([O-])c1C[NH2+][C@H]1CC=C(C(=O)[O-])C1 ZINC001599680159 994966057 /nfs/dbraw/zinc/96/60/57/994966057.db2.gz CTUBZOLKFRAOFI-JTQLQIEISA-N -1 3 263.293 1.664 20 10 CDCDHM CC[C@](NC(=O)c1ccc(C)c(O)c1[O-])(C(N)=O)C(C)C ZINC000180303970 357261029 /nfs/dbraw/zinc/26/10/29/357261029.db2.gz GYUMREGXTSVEJA-OAHLLOKOSA-N -1 3 294.351 1.426 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CCO)c([O-])c1O ZINC000187839968 357813255 /nfs/dbraw/zinc/81/32/55/357813255.db2.gz HOZZRHICZRWUEX-JQWIXIFHSA-N -1 3 279.336 1.687 20 10 CDCDHM C[C@H]1CCC[C@]1(O)CNC(=O)c1cccc(O)c1[O-] ZINC000294389407 199021381 /nfs/dbraw/zinc/02/13/81/199021381.db2.gz SLTNWJGWIKSHAS-XPTSAGLGSA-N -1 3 265.309 1.379 20 10 CDCDHM CCN1CC(=O)N[C@@H]1c1cc(Br)ccc1[O-] ZINC000189871160 358043525 /nfs/dbraw/zinc/04/35/25/358043525.db2.gz HZLYPWDKTZVOOD-NSHDSACASA-N -1 3 285.141 1.605 20 10 CDCDHM C[C@H]1CCS(=O)(=O)CCN1Cc1cc(F)ccc1[O-] ZINC000192055991 358172096 /nfs/dbraw/zinc/17/20/96/358172096.db2.gz VOUXZKJPXGCIHU-JTQLQIEISA-N -1 3 287.356 1.540 20 10 CDCDHM CCCCN(CCOC)C(=O)c1cccc(O)c1[O-] ZINC000193061628 358261466 /nfs/dbraw/zinc/26/14/66/358261466.db2.gz ZKYNRYRKNSGEFD-UHFFFAOYSA-N -1 3 267.325 1.987 20 10 CDCDHM CCCNC(=O)CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191186181 283371781 /nfs/dbraw/zinc/37/17/81/283371781.db2.gz DOWKDIXBSBBSAN-MRVPVSSYSA-N -1 3 272.295 1.847 20 10 CDCDHM CCCOc1ccc([C@@H]2NC(=O)[C@H]3COCCN32)c([O-])c1 ZINC000093884778 358638997 /nfs/dbraw/zinc/63/89/97/358638997.db2.gz RLGNEYMROWSZJY-TZMCWYRMSA-N -1 3 292.335 1.010 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)O)c([O-])c1O ZINC000297064171 200074864 /nfs/dbraw/zinc/07/48/64/200074864.db2.gz WLCHLHRCFCFGNJ-VIFPVBQESA-N -1 3 267.325 1.638 20 10 CDCDHM [O-]c1cccc(Cl)c1CN(CCO)CCCO ZINC000124437912 360367499 /nfs/dbraw/zinc/36/74/99/360367499.db2.gz TYIGPRVXTYNKHK-UHFFFAOYSA-N -1 3 259.733 1.222 20 10 CDCDHM Cc1ccc(C(=O)NCC2(C(N)=O)CCCC2)c([O-])c1O ZINC000267551634 363845144 /nfs/dbraw/zinc/84/51/44/363845144.db2.gz CZGPQHGMVHVXFM-UHFFFAOYSA-N -1 3 292.335 1.182 20 10 CDCDHM COc1cc([O-])c([C@H]2NC(=O)CN2CC(C)C)cc1OC ZINC000271052515 364893382 /nfs/dbraw/zinc/89/33/82/364893382.db2.gz QLWDUSXOVJIKDV-HNNXBMFYSA-N -1 3 294.351 1.496 20 10 CDCDHM CN(Cc1nnnn1C1CC1)Cc1ccccc1[O-] ZINC000109772319 390648538 /nfs/dbraw/zinc/64/85/38/390648538.db2.gz IZSWMVOJLZEVDS-UHFFFAOYSA-N -1 3 259.313 1.346 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)c([O-])c1O ZINC000182841220 391246316 /nfs/dbraw/zinc/24/63/16/391246316.db2.gz YBYWOPUNLVCUTP-QWRGUYRKSA-N -1 3 265.309 1.440 20 10 CDCDHM CNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000281853997 391413648 /nfs/dbraw/zinc/41/36/48/391413648.db2.gz QHPVEAKBFCAIPA-HNNXBMFYSA-N -1 3 292.335 1.004 20 10 CDCDHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCO1 ZINC000279460522 522340826 /nfs/dbraw/zinc/34/08/26/522340826.db2.gz MQDHWIRWFYENPF-ZYHUDNBSSA-N -1 3 281.308 1.022 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCCO1 ZINC000126394449 524539305 /nfs/dbraw/zinc/53/93/05/524539305.db2.gz IFPRMUNHUNKBRP-VIFPVBQESA-N -1 3 251.282 1.349 20 10 CDCDHM Cc1ccc(C(=O)NC[C@]2(O)CCSC2)c([O-])c1O ZINC000271325719 526182163 /nfs/dbraw/zinc/18/21/63/526182163.db2.gz YFBPANSZPBMROB-CYBMUJFWSA-N -1 3 283.349 1.004 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2O)c([O-])c1O ZINC000291961689 526200014 /nfs/dbraw/zinc/20/00/14/526200014.db2.gz PNXFNWCXVJIDJK-VXGBXAGGSA-N -1 3 279.336 1.830 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](N2CCOCC2)C1 ZINC000158028934 526327647 /nfs/dbraw/zinc/32/76/47/526327647.db2.gz TZMNXZJXBRXODI-ZDUSSCGKSA-N -1 3 296.798 1.952 20 10 CDCDHM Cn1nc2c(c1NC(=O)c1cc([O-])cs1)CCC2 ZINC000732275964 575085782 /nfs/dbraw/zinc/08/57/82/575085782.db2.gz LMWYDZXXZDREOL-UHFFFAOYSA-N -1 3 263.322 1.928 20 10 CDCDHM CCCOC(=O)CCNC(=O)c1cc([O-])cs1 ZINC000732288822 575087139 /nfs/dbraw/zinc/08/71/39/575087139.db2.gz GJTIAQJBRUMQQB-UHFFFAOYSA-N -1 3 257.311 1.527 20 10 CDCDHM C[C@@H]1CN(C(=O)COC(=O)c2cc([O-])cs2)C[C@H](C)O1 ZINC000732355019 575088103 /nfs/dbraw/zinc/08/81/03/575088103.db2.gz ZYXNIXYIDHYXBF-DTORHVGOSA-N -1 3 299.348 1.246 20 10 CDCDHM COC(=O)[C@@H]1CC12CCN(C(=O)c1cc([O-])cs1)CC2 ZINC000733813583 575139101 /nfs/dbraw/zinc/13/91/01/575139101.db2.gz WLVRWNXAYCZYJE-JTQLQIEISA-N -1 3 295.360 1.869 20 10 CDCDHM C[C@@H](NCc1nnnn1CC1CC1)c1ccc(F)cc1[O-] ZINC000769985005 575406464 /nfs/dbraw/zinc/40/64/64/575406464.db2.gz FWHOLXZKZDQJDT-SECBINFHSA-N -1 3 291.330 1.779 20 10 CDCDHM CC(C)(C)C[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000735329990 575456326 /nfs/dbraw/zinc/45/63/26/575456326.db2.gz FHXNELVWOAXUSL-SECBINFHSA-N -1 3 257.355 1.981 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)C1CCOCC1 ZINC000770971308 575523800 /nfs/dbraw/zinc/52/38/00/575523800.db2.gz RJFIRUQBYHTGJB-UHFFFAOYSA-N -1 3 270.306 1.606 20 10 CDCDHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(N(C)C)cc1 ZINC000772299788 575682941 /nfs/dbraw/zinc/68/29/41/575682941.db2.gz HRYCFCDVYJVTDF-JTQLQIEISA-N -1 3 282.351 1.966 20 10 CDCDHM CCOc1ccc(CN(C)[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000768138541 576260445 /nfs/dbraw/zinc/26/04/45/576260445.db2.gz OJSLYWNGWFVYQN-LBPRGKRZSA-N -1 3 299.392 1.410 20 10 CDCDHM COCCN(CCOC)Cc1c([O-])cccc1OC ZINC000768143289 576260885 /nfs/dbraw/zinc/26/08/85/576260885.db2.gz QODPXFMSARKXBA-UHFFFAOYSA-N -1 3 269.341 1.496 20 10 CDCDHM CCOc1ccc(CN(CC(N)=O)C(C)C)c([O-])c1 ZINC000768179590 576262744 /nfs/dbraw/zinc/26/27/44/576262744.db2.gz GUDRUTWTXICUKY-UHFFFAOYSA-N -1 3 266.341 1.487 20 10 CDCDHM CC1(C)[C@H](NC(=O)c2cc([O-])cs2)[C@@H]2CCO[C@@H]21 ZINC000741292636 576549965 /nfs/dbraw/zinc/54/99/65/576549965.db2.gz FHNAYOJQISQCCO-GDPRMGEGSA-N -1 3 267.350 1.997 20 10 CDCDHM CCOc1ccc(CN2CC[S@@](=O)C[C@H](C)C2)c([O-])c1 ZINC000763650791 576745436 /nfs/dbraw/zinc/74/54/36/576745436.db2.gz ZSUFWAZFAXNCCX-MPBGBICISA-N -1 3 297.420 1.991 20 10 CDCDHM COc1cccc([O-])c1CN1CC[S@@](=O)C[C@@H](C)C1 ZINC000763646831 576745717 /nfs/dbraw/zinc/74/57/17/576745717.db2.gz COYWJUMGMHMFED-JEOXALJRSA-N -1 3 283.393 1.601 20 10 CDCDHM C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])C(=O)N(C)C ZINC000756740412 577002608 /nfs/dbraw/zinc/00/26/08/577002608.db2.gz VRBOIMBYSCLNBB-JGVFFNPUSA-N -1 3 272.295 1.798 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000752630921 577116581 /nfs/dbraw/zinc/11/65/81/577116581.db2.gz OYJFXKCDGGBRGS-JTQLQIEISA-N -1 3 292.364 1.598 20 10 CDCDHM CO[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C1(C)C ZINC000753341872 577162266 /nfs/dbraw/zinc/16/22/66/577162266.db2.gz NJCXMJQFJVLLMS-ZJUUUORDSA-N -1 3 255.339 1.997 20 10 CDCDHM O=C([O-])C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000236414592 598210846 /nfs/dbraw/zinc/21/08/46/598210846.db2.gz ZFVPTNLVJIQHOF-UHFFFAOYSA-N -1 3 253.273 1.828 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCN1CCO ZINC000894503029 618924483 /nfs/dbraw/zinc/92/44/83/618924483.db2.gz FYBWPPNFUBDWFW-JTQLQIEISA-N -1 3 286.322 1.169 20 10 CDCDHM CC(C)OC[C@@H](CO)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894782608 619058493 /nfs/dbraw/zinc/05/84/93/619058493.db2.gz MOHJSAJESHINJB-GFCCVEGCSA-N -1 3 289.322 1.888 20 10 CDCDHM C[C@@H]([NH2+]CC1(C)COC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589976456 1173218322 /nfs/dbraw/zinc/21/83/22/1173218322.db2.gz FUZXRINAXKWHRO-SECBINFHSA-N -1 3 289.339 1.259 20 10 CDCDHM CC[C@@H](O)C[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465913 1173419754 /nfs/dbraw/zinc/41/97/54/1173419754.db2.gz HTUBPHMDKKDHON-SKDRFNHKSA-N -1 3 291.355 1.384 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(C(F)F)CC1 ZINC000790943423 712217265 /nfs/dbraw/zinc/21/72/65/712217265.db2.gz LFTHHLKLRTWQKK-UHFFFAOYSA-N -1 3 287.262 1.330 20 10 CDCDHM O=C1CC[C@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC000211586744 712343601 /nfs/dbraw/zinc/34/36/01/712343601.db2.gz SVWJHEXURBIVLR-LBPRGKRZSA-N -1 3 280.755 1.852 20 10 CDCDHM O=C(NCCc1nnc2ccccn21)c1cccc(O)c1[O-] ZINC000790483385 712426066 /nfs/dbraw/zinc/42/60/66/712426066.db2.gz QKHJKFHCEYCFDZ-UHFFFAOYSA-N -1 3 298.302 1.113 20 10 CDCDHM CN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000876516825 712473000 /nfs/dbraw/zinc/47/30/00/712473000.db2.gz WBHMBYQBTCHGRY-LLVKDONJSA-N -1 3 286.322 1.433 20 10 CDCDHM O=C(N[C@H](CCO)C(F)(F)F)c1cccc(O)c1[O-] ZINC000854616249 712526302 /nfs/dbraw/zinc/52/63/02/712526302.db2.gz FJEQVHIWVUGOSF-MRVPVSSYSA-N -1 3 279.214 1.141 20 10 CDCDHM Cc1cc(C)c(O)c(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC001607620631 1164243432 /nfs/dbraw/zinc/24/34/32/1164243432.db2.gz CNNMWFKMAUKAMB-YPMHNXCESA-N -1 3 279.336 1.683 20 10 CDCDHM Cc1ccc(C(=O)Nc2ccc(=O)n(C)c2)c([O-])c1O ZINC000182158570 917126389 /nfs/dbraw/zinc/12/63/89/917126389.db2.gz LGDHHMHGLRUCLH-UHFFFAOYSA-N -1 3 274.276 1.357 20 10 CDCDHM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(F)ccc1[O-] ZINC001140055050 936674388 /nfs/dbraw/zinc/67/43/88/936674388.db2.gz FNKHZCXDYPVQBE-JTQLQIEISA-N -1 3 289.253 1.914 20 10 CDCDHM [O-]c1cccc(Br)c1CN1CC(F)(CO)C1 ZINC001140098979 936678190 /nfs/dbraw/zinc/67/81/90/936678190.db2.gz VWDKHJSYUZRMPX-UHFFFAOYSA-N -1 3 290.132 1.671 20 10 CDCDHM C[C@H](NCc1nnn(C)n1)c1ccc2ccccc2c1[O-] ZINC000398099486 936709594 /nfs/dbraw/zinc/70/95/94/936709594.db2.gz HARNPRWHGPGJLK-JTQLQIEISA-N -1 3 283.335 1.920 20 10 CDCDHM COC(=O)[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140582996 936727218 /nfs/dbraw/zinc/72/72/18/936727218.db2.gz SLZHGTDBDGFOSL-MRVPVSSYSA-N -1 3 271.263 1.665 20 10 CDCDHM CN1CCN(C(=O)c2c([O-])c(O)ccc2F)CCC1(C)C ZINC000881387600 929832200 /nfs/dbraw/zinc/83/22/00/929832200.db2.gz BDEUWLJPKJBZTH-UHFFFAOYSA-N -1 3 296.342 1.793 20 10 CDCDHM NC(=O)c1cc(CNCc2cc(Cl)c(F)cc2[O-])on1 ZINC000816568744 930316944 /nfs/dbraw/zinc/31/69/44/930316944.db2.gz PGHOIOMXKKSMDR-UHFFFAOYSA-N -1 3 299.689 1.561 20 10 CDCDHM O=C(Nc1ccccc1-n1cncn1)c1cccc(O)c1[O-] ZINC001148219121 932670157 /nfs/dbraw/zinc/67/01/57/932670157.db2.gz UCXKBAJTJVOURR-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM O=C(NN1Cc2ccccc2C1=O)c1cccc(O)c1[O-] ZINC000193158596 934666920 /nfs/dbraw/zinc/66/69/20/934666920.db2.gz HMMZVXANGJXQLD-UHFFFAOYSA-N -1 3 284.271 1.399 20 10 CDCDHM COCCO[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000801314995 935984072 /nfs/dbraw/zinc/98/40/72/935984072.db2.gz PVGXQWQPZXSTFW-LLVKDONJSA-N -1 3 295.335 1.365 20 10 CDCDHM CO[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC001158622542 938642949 /nfs/dbraw/zinc/64/29/49/938642949.db2.gz QWJZIVBAVAJKFP-JOYOIKCWSA-N -1 3 265.309 1.595 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2cccc(Cl)c2[O-])CCCO1 ZINC001231914864 943054478 /nfs/dbraw/zinc/05/44/78/943054478.db2.gz SVMGFKKSCBANOM-GFCCVEGCSA-N -1 3 299.754 1.810 20 10 CDCDHM C[C@H]1COCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232260897 943192981 /nfs/dbraw/zinc/19/29/81/943192981.db2.gz SLKPGQMYSMVNOH-QMMMGPOBSA-N -1 3 257.717 1.972 20 10 CDCDHM C[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C[C@H]1O ZINC001233332139 943545753 /nfs/dbraw/zinc/54/57/53/943545753.db2.gz ABIKCIPHDDQBGQ-PRHODGIISA-N -1 3 257.280 1.873 20 10 CDCDHM O=C1CC2(CN1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233331694 943547315 /nfs/dbraw/zinc/54/73/15/943547315.db2.gz HEXHKVNEWQBLOY-UHFFFAOYSA-N -1 3 296.317 1.773 20 10 CDCDHM O=C1CCN(Cc2cc(F)c(Cl)cc2[O-])CCN1 ZINC001237946886 945009769 /nfs/dbraw/zinc/00/97/69/945009769.db2.gz NVOGLOHTJTZPLA-UHFFFAOYSA-N -1 3 272.707 1.507 20 10 CDCDHM COC(=O)CC[C@@H](C)NCC(=O)c1ccc([O-])c(O)c1 ZINC001258361797 948785689 /nfs/dbraw/zinc/78/56/89/948785689.db2.gz WSYRCJSWAQZEFV-SECBINFHSA-N -1 3 281.308 1.212 20 10 CDCDHM Cn1cc(C(=O)NCc2c([O-])cccc2F)cc1C=O ZINC001303875550 956127058 /nfs/dbraw/zinc/12/70/58/956127058.db2.gz KBEALHIBRLREND-UHFFFAOYSA-N -1 3 276.267 1.612 20 10 CDCDHM C[C@@H]([NH2+][C@@H](C)CCO)c1cc(C(=O)[O-])ccc1[O-] ZINC001592529378 978385824 /nfs/dbraw/zinc/38/58/24/978385824.db2.gz QDAYWGXEOPSKBQ-DTWKUNHWSA-N -1 3 253.298 1.512 20 10 CDCDHM C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239933 994425916 /nfs/dbraw/zinc/42/59/16/994425916.db2.gz IMZIXUKQKXFULI-NXEZZACHSA-N -1 3 266.341 1.691 20 10 CDCDHM C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593360526 995024201 /nfs/dbraw/zinc/02/42/01/995024201.db2.gz SURDIQCBWLYLGC-HGNGGELXSA-N -1 3 251.282 1.264 20 10 CDCDHM C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593360528 995024501 /nfs/dbraw/zinc/02/45/01/995024501.db2.gz SURDIQCBWLYLGC-SZEHBUNVSA-N -1 3 251.282 1.264 20 10 CDCDHM CC1(C(=O)[O-])CN(Cc2cc3c(cc2O)OCO3)C1 ZINC001593808472 996541595 /nfs/dbraw/zinc/54/15/95/996541595.db2.gz PYJBACRSHFYAJC-UHFFFAOYSA-N -1 3 265.265 1.027 20 10 CDCDHM O=C([O-])[C@H](Cc1cncs1)[NH2+]Cc1ccccc1[O-] ZINC001601661456 1126225159 /nfs/dbraw/zinc/22/51/59/1126225159.db2.gz FKUDXGDCQHXSON-NSHDSACASA-N -1 3 278.333 1.634 20 10 CDCDHM O=C([O-])[C@@H](Cc1cncs1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601662016 1126225377 /nfs/dbraw/zinc/22/53/77/1126225377.db2.gz IPYQGOYFIRHRKO-LLVKDONJSA-N -1 3 296.323 1.773 20 10 CDCDHM COC(=O)[C@@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000179904053 357230224 /nfs/dbraw/zinc/23/02/24/357230224.db2.gz HWIHCASRTKNHOJ-NSHDSACASA-N -1 3 253.273 1.669 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CCO)c([O-])c1O ZINC000187839886 357812813 /nfs/dbraw/zinc/81/28/13/357812813.db2.gz HOZZRHICZRWUEX-ZYHUDNBSSA-N -1 3 279.336 1.687 20 10 CDCDHM CCCOc1ccc(CN2CC(=O)N[C@H](C)C2)c([O-])c1 ZINC000294943995 199263406 /nfs/dbraw/zinc/26/34/06/199263406.db2.gz HDHYQNFUNBNJHE-LLVKDONJSA-N -1 3 278.352 1.501 20 10 CDCDHM C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(F)cc1[O-] ZINC000281232170 363768668 /nfs/dbraw/zinc/76/86/68/363768668.db2.gz UUUSUXCWSMXJKS-VIFPVBQESA-N -1 3 287.356 1.759 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCO[C@H](CO)C2)c1[O-] ZINC000271694939 364993917 /nfs/dbraw/zinc/99/39/17/364993917.db2.gz ALZZKPPVNYFLBM-LBPRGKRZSA-N -1 3 271.744 1.547 20 10 CDCDHM CC(C)C(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000272238964 365146215 /nfs/dbraw/zinc/14/62/15/365146215.db2.gz GAUKIXDVOIVLMU-UHFFFAOYSA-N -1 3 280.343 1.832 20 10 CDCDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000273526919 365504099 /nfs/dbraw/zinc/50/40/99/365504099.db2.gz VKPHFRXHCYTQDC-ZANVPECISA-N -1 3 279.315 1.649 20 10 CDCDHM C[C@@H](N[C@@H](C)C(=O)NCCF)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282862924 368076087 /nfs/dbraw/zinc/07/60/87/368076087.db2.gz UUQFQUXTZLIHBW-BDAKNGLRSA-N -1 3 299.302 1.425 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000294690320 371084418 /nfs/dbraw/zinc/08/44/18/371084418.db2.gz GDJHASINFWHHEE-ZBFHGGJFSA-N -1 3 289.331 1.881 20 10 CDCDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H](C)CO ZINC000293530504 378581983 /nfs/dbraw/zinc/58/19/83/378581983.db2.gz WXAZPFGEXGESCD-VIFPVBQESA-N -1 3 269.316 1.937 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](CO)C1 ZINC000092762984 390552113 /nfs/dbraw/zinc/55/21/13/390552113.db2.gz MKGWPYADKCYJRI-SECBINFHSA-N -1 3 286.169 1.969 20 10 CDCDHM CN(CC(=O)NCC(F)(F)F)Cc1ccccc1[O-] ZINC000109770847 390648090 /nfs/dbraw/zinc/64/80/90/390648090.db2.gz JKBYGRJPRRXISL-UHFFFAOYSA-N -1 3 276.258 1.503 20 10 CDCDHM Cc1ccc(C(=O)NC2CCOCC2)c([O-])c1O ZINC000177675118 391174096 /nfs/dbraw/zinc/17/40/96/391174096.db2.gz WEQVMWAPJIGCAA-UHFFFAOYSA-N -1 3 251.282 1.315 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([O-])c1O ZINC000179514350 391208478 /nfs/dbraw/zinc/20/84/78/391208478.db2.gz AFPZIIGSXDERTG-GDLCADMTSA-N -1 3 291.347 1.950 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](CCO)c2ccco2)c([O-])c1O ZINC000183824949 391270672 /nfs/dbraw/zinc/27/06/72/391270672.db2.gz XSGFVIIUMDTOTC-NSHDSACASA-N -1 3 291.303 1.853 20 10 CDCDHM COC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000182886412 397969193 /nfs/dbraw/zinc/96/91/93/397969193.db2.gz VMFHPQMYHWHXKG-LLVKDONJSA-N -1 3 265.309 1.561 20 10 CDCDHM C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974060 1173219434 /nfs/dbraw/zinc/21/94/34/1173219434.db2.gz ONEKHXUHPXSNHV-IUCAKERBSA-N -1 3 291.355 1.382 20 10 CDCDHM CC[C@@H]([NH2+]C[C@H](C)OC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469981 1173420994 /nfs/dbraw/zinc/42/09/94/1173420994.db2.gz NTCMCNZCYDGLEA-JOYOIKCWSA-N -1 3 291.355 1.648 20 10 CDCDHM C[C@@H]1COCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000278690533 328229486 /nfs/dbraw/zinc/22/94/86/328229486.db2.gz UTQXTMVXBZBUCU-SCZZXKLOSA-N -1 3 251.282 1.253 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@H](C)C2)c([O-])c1O ZINC000378560091 329054787 /nfs/dbraw/zinc/05/47/87/329054787.db2.gz DMYKTZPTCMQVOW-SECBINFHSA-N -1 3 265.309 1.515 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[C@H]1O ZINC001142509049 1160688761 /nfs/dbraw/zinc/68/87/61/1160688761.db2.gz VLCKTOKRVVKPQP-PRHODGIISA-N -1 3 257.280 1.873 20 10 CDCDHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000275161310 519750249 /nfs/dbraw/zinc/75/02/49/519750249.db2.gz UQUJGNUMXJTJCS-VIFPVBQESA-N -1 3 281.308 1.415 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC2(C1)CC(F)(F)C2 ZINC000790900302 1162176117 /nfs/dbraw/zinc/17/61/17/1162176117.db2.gz ZSTOLHDXZLRFBN-UHFFFAOYSA-N -1 3 269.247 1.969 20 10 CDCDHM CN1CCC[C@H](NCc2c([O-])ccc(Cl)c2F)C1=O ZINC000790974404 1162180352 /nfs/dbraw/zinc/18/03/52/1162180352.db2.gz UEOMPCUMMDFPKT-JTQLQIEISA-N -1 3 286.734 1.895 20 10 CDCDHM CCC[C@@]1(CO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000278081531 520958767 /nfs/dbraw/zinc/95/87/67/520958767.db2.gz INGXGCPYIGGKCI-HNNXBMFYSA-N -1 3 279.336 1.865 20 10 CDCDHM CC[C@H]1C(=O)NCCN1Cc1c([O-])cccc1Cl ZINC000131231151 522988384 /nfs/dbraw/zinc/98/83/84/522988384.db2.gz DHZGWEKCIPFCFL-NSHDSACASA-N -1 3 268.744 1.756 20 10 CDCDHM COC(=O)[C@H](CC(F)(F)F)NCc1ccccc1[O-] ZINC000276508825 523896662 /nfs/dbraw/zinc/89/66/62/523896662.db2.gz STMZPAIMDCILDK-VIFPVBQESA-N -1 3 277.242 1.976 20 10 CDCDHM CS(=O)(=O)C1(CNCc2c([O-])cccc2Cl)CC1 ZINC000279869032 525100503 /nfs/dbraw/zinc/10/05/03/525100503.db2.gz TUUUWKASKZQQHZ-UHFFFAOYSA-N -1 3 289.784 1.712 20 10 CDCDHM O=C(NCC1(O)CCCC1)c1cccc(O)c1[O-] ZINC000126623959 527574641 /nfs/dbraw/zinc/57/46/41/527574641.db2.gz ACMHWNCOPXJMMD-UHFFFAOYSA-N -1 3 251.282 1.133 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(CC2CC2)CC1 ZINC000731870866 575067095 /nfs/dbraw/zinc/06/70/95/575067095.db2.gz PILQNRFACPLIPX-UHFFFAOYSA-N -1 3 266.366 1.622 20 10 CDCDHM O=C(NCCOCC(F)(F)F)c1cc([O-])cs1 ZINC000732266455 575084738 /nfs/dbraw/zinc/08/47/38/575084738.db2.gz BPRXAQBYZZXMRD-UHFFFAOYSA-N -1 3 269.244 1.762 20 10 CDCDHM O=C(CNC(=O)c1cc([O-])cs1)N1CCCCC1 ZINC000732270460 575085341 /nfs/dbraw/zinc/08/53/41/575085341.db2.gz DMABOBMSGNFSMA-UHFFFAOYSA-N -1 3 268.338 1.196 20 10 CDCDHM O=C(NC1CCC2(CC1)OCCO2)c1cc([O-])cs1 ZINC000732272459 575085487 /nfs/dbraw/zinc/08/54/87/575085487.db2.gz GSSOGADTJQJKJD-UHFFFAOYSA-N -1 3 283.349 1.869 20 10 CDCDHM CC(=O)NC[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732278292 575085965 /nfs/dbraw/zinc/08/59/65/575085965.db2.gz GSYMIFCAYDLQMA-JTQLQIEISA-N -1 3 282.365 1.442 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC(N2CCCC2=O)CC1 ZINC000732287311 575087070 /nfs/dbraw/zinc/08/70/70/575087070.db2.gz ALBMLANEMPRDQH-UHFFFAOYSA-N -1 3 294.376 1.681 20 10 CDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CC(C)(C)O1 ZINC000768441528 576283682 /nfs/dbraw/zinc/28/36/82/576283682.db2.gz DBSYLOXVBRPXTE-QMTHXVAHSA-N -1 3 293.363 1.817 20 10 CDCDHM CCOc1ccc(CN(CCOC)[C@@H](C)C(N)=O)c([O-])c1 ZINC000769339447 576347596 /nfs/dbraw/zinc/34/75/96/576347596.db2.gz ZJYYDQVKAKTGQF-NSHDSACASA-N -1 3 296.367 1.113 20 10 CDCDHM C[C@@](O)(CNC(=O)c1cc([O-])cs1)c1ccco1 ZINC000743655126 576650134 /nfs/dbraw/zinc/65/01/34/576650134.db2.gz VHKSRGLVIGXFPT-GFCCVEGCSA-N -1 3 267.306 1.684 20 10 CDCDHM C[C@@H](Cc1ccc(O)c(O)c1)N=c1ncnc2[nH][n-]cc1-2 ZINC000762800485 576673846 /nfs/dbraw/zinc/67/38/46/576673846.db2.gz QPASUSMRSAJSLI-QMMMGPOBSA-N -1 3 285.307 1.181 20 10 CDCDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc([O-])cs1 ZINC000748122871 576896576 /nfs/dbraw/zinc/89/65/76/576896576.db2.gz QWHWKTTZFOGLEK-UHFFFAOYSA-N -1 3 283.265 1.415 20 10 CDCDHM CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607390172 1164163071 /nfs/dbraw/zinc/16/30/71/1164163071.db2.gz QXHAMPJMSWCOCU-IGJMFERPSA-N -1 3 299.392 1.853 20 10 CDCDHM Cc1cc(O)c(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc1C ZINC001607698615 1164273926 /nfs/dbraw/zinc/27/39/26/1164273926.db2.gz AZLGNXGDMKFTCA-RYUDHWBXSA-N -1 3 265.309 1.029 20 10 CDCDHM C[C@@](O)(CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000187094864 899822069 /nfs/dbraw/zinc/82/20/69/899822069.db2.gz AVXJRFVIVWFXNQ-MRXNPFEDSA-N -1 3 287.315 1.735 20 10 CDCDHM CCCN1CC(=O)N[C@H]1c1cc(Cl)cc(OC)c1[O-] ZINC000840825701 906401375 /nfs/dbraw/zinc/40/13/75/906401375.db2.gz ZRNZJMYNTIXXGM-CYBMUJFWSA-N -1 3 284.743 1.895 20 10 CDCDHM NC(=O)[C@@H]1CCCCN1Cc1c([O-])cccc1F ZINC001137837637 936419088 /nfs/dbraw/zinc/41/90/88/936419088.db2.gz PAIRFQSHZHARCB-NSHDSACASA-N -1 3 252.289 1.371 20 10 CDCDHM Cc1nc(NC(=O)CCc2ccc(O)c(O)c2)cc(=O)[n-]1 ZINC001182153675 917690076 /nfs/dbraw/zinc/69/00/76/917690076.db2.gz DZQTXGQXFLBNRK-UHFFFAOYSA-N -1 3 289.291 1.473 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CC(C2COC2)C1 ZINC001139685656 936635673 /nfs/dbraw/zinc/63/56/73/936635673.db2.gz RVHJAXQRBPLEJQ-UHFFFAOYSA-N -1 3 255.264 1.749 20 10 CDCDHM O=C1C[C@@H]2COC[C@H](C1)N2Cc1cc(F)ccc1[O-] ZINC001140055127 936674451 /nfs/dbraw/zinc/67/44/51/936674451.db2.gz KBAVOMYESJUSEG-TXEJJXNPSA-N -1 3 265.284 1.464 20 10 CDCDHM O=C(CNCc1cc(F)cc(F)c1[O-])NCC(F)(F)F ZINC000708517638 923202373 /nfs/dbraw/zinc/20/23/73/923202373.db2.gz RDZDBBGTWACQDF-UHFFFAOYSA-N -1 3 298.211 1.439 20 10 CDCDHM O=C(c1ccc(O)c([O-])c1Cl)N1CCc2[nH]cnc2C1 ZINC001193218709 923540266 /nfs/dbraw/zinc/54/02/66/923540266.db2.gz CHULXODBGCMKCV-UHFFFAOYSA-N -1 3 293.710 1.673 20 10 CDCDHM O=C(c1ccc(O)c([O-])c1Cl)N1CCc2nc[nH]c2C1 ZINC001193218709 923540281 /nfs/dbraw/zinc/54/02/81/923540281.db2.gz CHULXODBGCMKCV-UHFFFAOYSA-N -1 3 293.710 1.673 20 10 CDCDHM CN1CC2(CN(Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001273162755 923587273 /nfs/dbraw/zinc/58/72/73/923587273.db2.gz DDNQSBMCULDONW-UHFFFAOYSA-N -1 3 296.754 1.089 20 10 CDCDHM O=C(NC[C@H](O)c1ccsc1)c1cccc(O)c1[O-] ZINC000187116176 923634593 /nfs/dbraw/zinc/63/45/93/923634593.db2.gz MNAWAIJPYLWEBC-NSHDSACASA-N -1 3 279.317 1.623 20 10 CDCDHM CC(C)CC[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000862778661 929470093 /nfs/dbraw/zinc/47/00/93/929470093.db2.gz KDQXPAQBDKBNLP-SNVBAGLBSA-N -1 3 267.325 1.625 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(CC2CCOCC2)C1 ZINC000881922779 929917893 /nfs/dbraw/zinc/91/78/93/929917893.db2.gz UATJKFPQLLUQER-UHFFFAOYSA-N -1 3 291.347 1.987 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000816586870 930312727 /nfs/dbraw/zinc/31/27/27/930312727.db2.gz WJAOLZOMDFXIHA-TVQRCGJNSA-N -1 3 271.719 1.999 20 10 CDCDHM Cc1ccc(C(=O)NOCCC2CC2)c([O-])c1O ZINC000817446900 930536727 /nfs/dbraw/zinc/53/67/27/930536727.db2.gz WLULEDMYDTUDML-UHFFFAOYSA-N -1 3 251.282 1.868 20 10 CDCDHM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821589307 931070172 /nfs/dbraw/zinc/07/01/72/931070172.db2.gz HSGXXPGYRHMWHZ-UHFFFAOYSA-N -1 3 295.350 1.940 20 10 CDCDHM CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821589307 931070179 /nfs/dbraw/zinc/07/01/79/931070179.db2.gz HSGXXPGYRHMWHZ-UHFFFAOYSA-N -1 3 295.350 1.940 20 10 CDCDHM O=C(Nc1ncccc1CCO)c1cccc(O)c1[O-] ZINC001148212048 932667867 /nfs/dbraw/zinc/66/78/67/932667867.db2.gz JGJVAADNFWKOGR-UHFFFAOYSA-N -1 3 274.276 1.280 20 10 CDCDHM O=C(NCCc1c[nH]c2cccnc12)c1cccc(O)c1[O-] ZINC001148220196 932671910 /nfs/dbraw/zinc/67/19/10/932671910.db2.gz XINSVJXFDCTUIC-UHFFFAOYSA-N -1 3 297.314 1.947 20 10 CDCDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)cc(=O)o1 ZINC001148583084 932750251 /nfs/dbraw/zinc/75/02/51/932750251.db2.gz SCKSNUMGHQBALX-UHFFFAOYSA-N -1 3 277.232 1.317 20 10 CDCDHM O=C(Nc1n[nH]c2c1CCCC2)c1cc(O)c([O-])c(O)c1 ZINC001148582110 932751274 /nfs/dbraw/zinc/75/12/74/932751274.db2.gz XCCFSSSXMLHZCO-UHFFFAOYSA-N -1 3 289.291 1.658 20 10 CDCDHM O=C(NCc1cccc(F)n1)c1cc(O)c([O-])c(O)c1 ZINC001148589836 932754903 /nfs/dbraw/zinc/75/49/03/932754903.db2.gz NFPFZMRRNPSBLX-UHFFFAOYSA-N -1 3 278.239 1.268 20 10 CDCDHM Cc1ccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c(O)c1O ZINC000778964640 934305224 /nfs/dbraw/zinc/30/52/24/934305224.db2.gz UFUPKCKHWKFORM-UHFFFAOYSA-N -1 3 291.263 1.168 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@H](CO)C2)c1[O-] ZINC000191723148 934577562 /nfs/dbraw/zinc/57/75/62/934577562.db2.gz WYPNGWGCWSTBNT-NOZJJQNGSA-N -1 3 297.326 1.316 20 10 CDCDHM CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC001203651908 939699952 /nfs/dbraw/zinc/69/99/52/939699952.db2.gz ZIVHYSUPTSYHLN-UHFFFAOYSA-N -1 3 282.727 1.236 20 10 CDCDHM CC(=O)c1cc(Nc2cccc(C(=O)N(C)C)c2[O-])ccn1 ZINC001210595474 940701103 /nfs/dbraw/zinc/70/11/03/940701103.db2.gz RAUSDGHVCOYIMX-UHFFFAOYSA-N -1 3 299.330 1.857 20 10 CDCDHM COc1ccc(CN2CC3(CCN3C)C2)c([O-])c1Cl ZINC001276805975 941355893 /nfs/dbraw/zinc/35/58/93/941355893.db2.gz FBSWRODUBNREAS-UHFFFAOYSA-N -1 3 282.771 1.944 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001231446476 942891763 /nfs/dbraw/zinc/89/17/63/942891763.db2.gz JNOCLTLXACSFOK-LLVKDONJSA-N -1 3 251.282 1.047 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001231446476 942891768 /nfs/dbraw/zinc/89/17/68/942891768.db2.gz JNOCLTLXACSFOK-LLVKDONJSA-N -1 3 251.282 1.047 20 10 CDCDHM COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452789 942895847 /nfs/dbraw/zinc/89/58/47/942895847.db2.gz FHIQEYANQCPLSQ-HNNXBMFYSA-N -1 3 293.319 1.475 20 10 CDCDHM COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452789 942895849 /nfs/dbraw/zinc/89/58/49/942895849.db2.gz FHIQEYANQCPLSQ-HNNXBMFYSA-N -1 3 293.319 1.475 20 10 CDCDHM C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])[C@H]1CO ZINC001231560458 942925233 /nfs/dbraw/zinc/92/52/33/942925233.db2.gz IPOICYROPMSHQF-MFKMUULPSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])[C@H]1CO ZINC001231560458 942925236 /nfs/dbraw/zinc/92/52/36/942925236.db2.gz IPOICYROPMSHQF-MFKMUULPSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])ccc(F)c2F)CC[C@H]1O ZINC001233332516 943545318 /nfs/dbraw/zinc/54/53/18/943545318.db2.gz NRJDJIYINXDNFC-GZMMTYOYSA-N -1 3 257.280 1.873 20 10 CDCDHM C[C@]1(O)COCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332588 943546380 /nfs/dbraw/zinc/54/63/80/943546380.db2.gz PYIIHSWSSPOWSP-CYBMUJFWSA-N -1 3 273.279 1.254 20 10 CDCDHM C[C@]1(CO)CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332466 943546584 /nfs/dbraw/zinc/54/65/84/943546584.db2.gz MAMNZJAUINLRNL-ZDUSSCGKSA-N -1 3 257.280 1.875 20 10 CDCDHM O=S1(=O)CCN(Cc2cc3ccccc3cc2[O-])CC1 ZINC001236831194 944585247 /nfs/dbraw/zinc/58/52/47/944585247.db2.gz UGDZSXNIDWYOQN-UHFFFAOYSA-N -1 3 291.372 1.776 20 10 CDCDHM Cn1cc(C(=O)NCc2c([O-])cccc2F)c(Cl)n1 ZINC001303876104 956130332 /nfs/dbraw/zinc/13/03/32/956130332.db2.gz UXTDCVHUUFDOTE-UHFFFAOYSA-N -1 3 283.690 1.848 20 10 CDCDHM COc1cccc([O-])c1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC001594131840 958683843 /nfs/dbraw/zinc/68/38/43/958683843.db2.gz QEDYVKQBAVGLHJ-VIFPVBQESA-N -1 3 253.298 1.553 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC001594131840 958683852 /nfs/dbraw/zinc/68/38/52/958683852.db2.gz QEDYVKQBAVGLHJ-VIFPVBQESA-N -1 3 253.298 1.553 20 10 CDCDHM C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000235604333 960465731 /nfs/dbraw/zinc/46/57/31/960465731.db2.gz LHXRMUYDOFDPCQ-KWQFWETISA-N -1 3 253.273 1.826 20 10 CDCDHM C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000235604333 960465746 /nfs/dbraw/zinc/46/57/46/960465746.db2.gz LHXRMUYDOFDPCQ-KWQFWETISA-N -1 3 253.273 1.826 20 10 CDCDHM CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001348254383 965896702 /nfs/dbraw/zinc/89/67/02/965896702.db2.gz ILWCJASOJPHICV-SNVBAGLBSA-N -1 3 292.335 1.038 20 10 CDCDHM O=C([O-])[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC001350610111 966709855 /nfs/dbraw/zinc/70/98/55/966709855.db2.gz DCNAAYIRTQZUJC-DGCLKSJQSA-N -1 3 265.309 1.362 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCn2nncc2C1 ZINC000848922240 969354185 /nfs/dbraw/zinc/35/41/85/969354185.db2.gz OBVGDUOYLMWNTK-UHFFFAOYSA-N -1 3 264.716 1.653 20 10 CDCDHM O=C([O-])[C@@H](Cc1cncs1)[NH2+]Cc1ccccc1[O-] ZINC001601661455 1126225219 /nfs/dbraw/zinc/22/52/19/1126225219.db2.gz FKUDXGDCQHXSON-LLVKDONJSA-N -1 3 278.333 1.634 20 10 CDCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](CO)C2)c1[O-] ZINC000092763582 342234714 /nfs/dbraw/zinc/23/47/14/342234714.db2.gz ORKOFWYFCFTVJP-QMMMGPOBSA-N -1 3 286.715 1.768 20 10 CDCDHM O=C(NC[C@H](O)C1CCCCC1)c1cccc(O)c1[O-] ZINC000187070582 357723222 /nfs/dbraw/zinc/72/32/22/357723222.db2.gz PDAZTOLTWGERCH-ZDUSSCGKSA-N -1 3 279.336 1.769 20 10 CDCDHM C[C@@H]1CCS(=O)(=O)CCN1Cc1ccccc1[O-] ZINC000192057698 358172247 /nfs/dbraw/zinc/17/22/47/358172247.db2.gz XPDUVLABFVYJKX-LLVKDONJSA-N -1 3 269.366 1.401 20 10 CDCDHM C[C@H](N[C@@H]1CC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273596439 299353153 /nfs/dbraw/zinc/35/31/53/299353153.db2.gz QUWWAZKRBJKKTG-DTWKUNHWSA-N -1 3 279.296 1.182 20 10 CDCDHM CC(=O)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179894524 365001456 /nfs/dbraw/zinc/00/14/56/365001456.db2.gz VNQZNFCCTFLWPB-UHFFFAOYSA-N -1 3 266.316 1.586 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CCO[C@@H](C)C2)c([O-])c1O ZINC000272982288 365463039 /nfs/dbraw/zinc/46/30/39/365463039.db2.gz MBZABLULVOOWGP-QWRGUYRKSA-N -1 3 279.336 1.951 20 10 CDCDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1O ZINC000270820454 367259648 /nfs/dbraw/zinc/25/96/48/367259648.db2.gz BEJBPDCUUKRDHQ-YGRLFVJLSA-N -1 3 281.327 1.937 20 10 CDCDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCNC1=O ZINC000282224185 367783906 /nfs/dbraw/zinc/78/39/06/367783906.db2.gz FDZLTLCAIYJTLU-CYBMUJFWSA-N -1 3 294.326 1.444 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@H]2CF)c([O-])c1O ZINC000294499277 371065587 /nfs/dbraw/zinc/06/55/87/371065587.db2.gz XWZDSUQCZWSUEU-VIFPVBQESA-N -1 3 253.273 1.980 20 10 CDCDHM COC1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000295256842 371383821 /nfs/dbraw/zinc/38/38/21/371383821.db2.gz FRGGJMNLZYTHPJ-UHFFFAOYSA-N -1 3 265.309 1.787 20 10 CDCDHM CCCCNC(=O)CN(C)Cc1ccccc1[O-] ZINC000109771007 390648382 /nfs/dbraw/zinc/64/83/82/390648382.db2.gz PDBPPXNMOVKMKR-UHFFFAOYSA-N -1 3 250.342 1.740 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c([O-])c1O ZINC000182820186 391245572 /nfs/dbraw/zinc/24/55/72/391245572.db2.gz XUPXXVMRRJXEEL-VHSXEESVSA-N -1 3 263.293 1.073 20 10 CDCDHM Cc1ccc(C(=O)N2CCn3cnnc3[C@@H]2C)c([O-])c1O ZINC000276892841 292065831 /nfs/dbraw/zinc/06/58/31/292065831.db2.gz MVRFDCSQFNMRKX-VIFPVBQESA-N -1 3 288.307 1.215 20 10 CDCDHM COC(=O)CCCCCNC(=O)c1cccc(O)c1[O-] ZINC000126731258 260356605 /nfs/dbraw/zinc/35/66/05/260356605.db2.gz FZOIKFREYIVUAQ-UHFFFAOYSA-N -1 3 281.308 1.561 20 10 CDCDHM NC(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000157114622 261140547 /nfs/dbraw/zinc/14/05/47/261140547.db2.gz AXFHKRWGKYUDPN-ZETCQYMHSA-N -1 3 299.714 1.261 20 10 CDCDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCCC[C@H]1O ZINC000185794763 262071151 /nfs/dbraw/zinc/07/11/51/262071151.db2.gz XDYACQMHRYIXNN-DOMZBBRYSA-N -1 3 279.336 1.769 20 10 CDCDHM CCC(CC)[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000187087226 262378588 /nfs/dbraw/zinc/37/85/88/262378588.db2.gz JDJFRUSQSWESNH-GFCCVEGCSA-N -1 3 267.325 1.625 20 10 CDCDHM CNC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000096970994 277228326 /nfs/dbraw/zinc/22/83/26/277228326.db2.gz LQXLJPRUMYZXSJ-CYBMUJFWSA-N -1 3 278.352 1.119 20 10 CDCDHM C[C@H]1COCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000278690544 328229561 /nfs/dbraw/zinc/22/95/61/328229561.db2.gz UTQXTMVXBZBUCU-WPRPVWTQSA-N -1 3 251.282 1.253 20 10 CDCDHM COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC000187569343 329359224 /nfs/dbraw/zinc/35/92/24/329359224.db2.gz UOECOFYSRYGQQA-GHMZBOCLSA-N -1 3 285.727 1.154 20 10 CDCDHM CN(C(=O)/C=C/c1cncc([O-])c1)c1ccn(C)n1 ZINC000492641546 332407658 /nfs/dbraw/zinc/40/76/58/332407658.db2.gz DDEDBMXGLVEZAV-ONEGZZNKSA-N -1 3 258.281 1.197 20 10 CDCDHM C[C@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)ccc1[O-] ZINC000093384593 1159674227 /nfs/dbraw/zinc/67/42/27/1159674227.db2.gz RBPUCJYOKMSOIE-SECBINFHSA-N -1 3 291.800 1.911 20 10 CDCDHM CN(CC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000274930926 522532649 /nfs/dbraw/zinc/53/26/49/522532649.db2.gz AXRPJXXZDHPUND-UHFFFAOYSA-N -1 3 281.308 1.512 20 10 CDCDHM CCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048923578 520683184 /nfs/dbraw/zinc/68/31/84/520683184.db2.gz NIICXTDHXUXOCK-UHFFFAOYSA-N -1 3 286.353 1.294 20 10 CDCDHM CN(CCC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000279316053 522686674 /nfs/dbraw/zinc/68/66/74/522686674.db2.gz OWJAEONZAOFEHO-UHFFFAOYSA-N -1 3 295.335 1.902 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nnc2n1CCC2 ZINC000280148768 525344288 /nfs/dbraw/zinc/34/42/88/525344288.db2.gz RKLVOUBLIIRHFK-MRVPVSSYSA-N -1 3 288.307 1.127 20 10 CDCDHM Cn1nc2c(c1NC(=O)c1cccc(O)c1[O-])CCC2 ZINC000280268634 527559459 /nfs/dbraw/zinc/55/94/59/527559459.db2.gz UUJKRMWKDOBCLJ-UHFFFAOYSA-N -1 3 273.292 1.572 20 10 CDCDHM CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000731872318 575067652 /nfs/dbraw/zinc/06/76/52/575067652.db2.gz DOMSPKXJBGFQIU-SNVBAGLBSA-N -1 3 296.392 1.832 20 10 CDCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ncccn1 ZINC000732354808 575088193 /nfs/dbraw/zinc/08/81/93/575088193.db2.gz RWBVAYUQPBVNPZ-ZETCQYMHSA-N -1 3 293.304 1.428 20 10 CDCDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc([O-])cs1 ZINC000733366298 575116683 /nfs/dbraw/zinc/11/66/83/575116683.db2.gz PYCFSEMJEGZHAH-YUMQZZPRSA-N -1 3 291.394 1.347 20 10 CDCDHM CCS(=O)(=O)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000733368908 575117360 /nfs/dbraw/zinc/11/73/60/575117360.db2.gz DHGUGYQVHARMGZ-ZETCQYMHSA-N -1 3 277.367 1.007 20 10 CDCDHM COCCCOCCN(C)C(=O)c1cc([O-])cs1 ZINC000774404870 575202442 /nfs/dbraw/zinc/20/24/42/575202442.db2.gz MTGSWUISYDCCEU-UHFFFAOYSA-N -1 3 273.354 1.579 20 10 CDCDHM CCOc1ccc([C@H]2NC(=O)[C@H]3CSCCN32)c([O-])c1 ZINC000765518359 576035394 /nfs/dbraw/zinc/03/53/94/576035394.db2.gz BEUZOGYQXZYULM-YPMHNXCESA-N -1 3 294.376 1.337 20 10 CDCDHM COc1cccc([O-])c1CN(C)Cc1nnc2n1CCC2 ZINC000768223616 576265662 /nfs/dbraw/zinc/26/56/62/576265662.db2.gz JSMUALLIYVZFKO-UHFFFAOYSA-N -1 3 288.351 1.571 20 10 CDCDHM CCOc1ccc(CN(CCOC)CC(=O)OC)c([O-])c1 ZINC000769421991 576353015 /nfs/dbraw/zinc/35/30/15/576353015.db2.gz DODPKSZVDBNYSL-UHFFFAOYSA-N -1 3 297.351 1.412 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC(OCCO)CC1 ZINC000760425149 576483685 /nfs/dbraw/zinc/48/36/85/576483685.db2.gz GLZZWBATDZRKNR-UHFFFAOYSA-N -1 3 271.338 1.067 20 10 CDCDHM O=S(=O)([N-]Cc1ccccc1O)c1cncc(Cl)c1 ZINC000754805701 576916496 /nfs/dbraw/zinc/91/64/96/576916496.db2.gz PCPTZPODAGJADV-UHFFFAOYSA-N -1 3 298.751 1.919 20 10 CDCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)CC(F)F)c1 ZINC000758616265 577122155 /nfs/dbraw/zinc/12/21/55/577122155.db2.gz RCOXGQQRJLMWFH-QMMMGPOBSA-N -1 3 276.239 1.406 20 10 CDCDHM Cc1ccc(C(=O)N[C@]2(C)CCO[C@@H]2C)c([O-])c1O ZINC000753069101 577142924 /nfs/dbraw/zinc/14/29/24/577142924.db2.gz XOOZZEAHHQGWDG-YMTOWFKASA-N -1 3 265.309 1.704 20 10 CDCDHM CCOc1ccc(C[NH2+]CCCC(=O)[O-])c([O-])c1 ZINC000818240110 597264582 /nfs/dbraw/zinc/26/45/82/597264582.db2.gz VSHODNHTTFHHDG-UHFFFAOYSA-N -1 3 253.298 1.745 20 10 CDCDHM CCN(CC(=O)N(C)C)Cc1cccc(Cl)c1[O-] ZINC000124534369 1175334331 /nfs/dbraw/zinc/33/43/31/1175334331.db2.gz CHWCZMOMXSPTQE-UHFFFAOYSA-N -1 3 270.760 1.956 20 10 CDCDHM C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000235774501 605479488 /nfs/dbraw/zinc/47/94/88/605479488.db2.gz ARUDGWZORWRNJI-ZDUSSCGKSA-N -1 3 253.273 1.828 20 10 CDCDHM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000235774501 605479493 /nfs/dbraw/zinc/47/94/93/605479493.db2.gz ARUDGWZORWRNJI-ZDUSSCGKSA-N -1 3 253.273 1.828 20 10 CDCDHM O=C1OCCN1[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895250997 619495735 /nfs/dbraw/zinc/49/57/35/619495735.db2.gz FJBUUAUNCJNELJ-NSHDSACASA-N -1 3 298.289 1.697 20 10 CDCDHM C[C@H]([NH2+]CCOCCF)c1cc(C(=O)[O-])ccc1[O-] ZINC001604341595 1163159452 /nfs/dbraw/zinc/15/94/52/1163159452.db2.gz QUKPMNYOBGGDHV-VIFPVBQESA-N -1 3 271.288 1.727 20 10 CDCDHM CC(=O)O[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790901734 1162176442 /nfs/dbraw/zinc/17/64/42/1162176442.db2.gz OHCXLTXLKMEQFS-JTQLQIEISA-N -1 3 279.292 1.266 20 10 CDCDHM CC[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000126267097 1175447050 /nfs/dbraw/zinc/44/70/50/1175447050.db2.gz CHSUUAOSJYOCHV-SECBINFHSA-N -1 3 251.282 1.349 20 10 CDCDHM COC(=O)[C@H]1[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139686365 936635650 /nfs/dbraw/zinc/63/56/50/936635650.db2.gz WEAMRKHDCZTMKZ-JDICNCQASA-N -1 3 283.274 1.521 20 10 CDCDHM N=c1ccc(F)c(N)n1C(=O)c1ccc([O-])c(O)c1Cl ZINC001193208800 923533450 /nfs/dbraw/zinc/53/34/50/923533450.db2.gz ATSPDDNKOPWMKE-UHFFFAOYSA-N -1 3 297.673 1.442 20 10 CDCDHM CN1C[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H](C1)O2 ZINC001275773886 932016267 /nfs/dbraw/zinc/01/62/67/932016267.db2.gz OGSGFHYWYLRLJI-PHIMTYICSA-N -1 3 284.306 1.185 20 10 CDCDHM CN(C1CN(Cc2cccc(F)c2[O-])C1)[C@@H]1CCOC1 ZINC001138128405 932459461 /nfs/dbraw/zinc/45/94/61/932459461.db2.gz HZPUXPSXJHYCGT-GFCCVEGCSA-N -1 3 280.343 1.436 20 10 CDCDHM COc1cc(OC)c(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001148212318 932667906 /nfs/dbraw/zinc/66/79/06/932667906.db2.gz XDDFMUKEFCIWED-UHFFFAOYSA-N -1 3 290.275 1.762 20 10 CDCDHM Cc1ncc(NC(=O)c2cc(O)c([O-])c(O)c2)cn1 ZINC001148582083 932751442 /nfs/dbraw/zinc/75/14/42/932751442.db2.gz WGTCBYCNVVWLPS-UHFFFAOYSA-N -1 3 261.237 1.154 20 10 CDCDHM COc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)no1 ZINC001148581158 932751635 /nfs/dbraw/zinc/75/16/35/932751635.db2.gz MQLSYLNHWXDSAX-UHFFFAOYSA-N -1 3 266.209 1.052 20 10 CDCDHM CCCCOC(=O)[C@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589638 932752642 /nfs/dbraw/zinc/75/26/42/932752642.db2.gz FUHIUMDMCGZLRS-QMMMGPOBSA-N -1 3 297.307 1.265 20 10 CDCDHM C[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2[O-])[C@H](C)O1 ZINC000686402244 934117736 /nfs/dbraw/zinc/11/77/36/934117736.db2.gz XEMLRWQYJVQBOK-UTLUCORTSA-N -1 3 265.309 1.641 20 10 CDCDHM CN(C)C(=O)[C@@H]1CC12CN(Cc1c([O-])cccc1F)C2 ZINC001277485092 942779081 /nfs/dbraw/zinc/77/90/81/942779081.db2.gz XTCFCHPKKZUXGD-NSHDSACASA-N -1 3 278.327 1.441 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCCC3(COC3)C2)c([O-])c1 ZINC001231448789 942893944 /nfs/dbraw/zinc/89/39/44/942893944.db2.gz BYSHZOMPDVDJOM-UHFFFAOYSA-N -1 3 277.320 1.703 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCCC3(COC3)C2)c([O-])c1 ZINC001231448789 942893947 /nfs/dbraw/zinc/89/39/47/942893947.db2.gz BYSHZOMPDVDJOM-UHFFFAOYSA-N -1 3 277.320 1.703 20 10 CDCDHM COC(=O)CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CC1 ZINC001231454212 942899515 /nfs/dbraw/zinc/89/95/15/942899515.db2.gz PATCNEKWZHTPLF-UHFFFAOYSA-N -1 3 293.319 1.618 20 10 CDCDHM COC(=O)CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CC1 ZINC001231454212 942899524 /nfs/dbraw/zinc/89/95/24/942899524.db2.gz PATCNEKWZHTPLF-UHFFFAOYSA-N -1 3 293.319 1.618 20 10 CDCDHM COc1cc([O-])c(CN2CC3(COC3)C2)cc1Cl ZINC001232265828 943193839 /nfs/dbraw/zinc/19/38/39/943193839.db2.gz FXTZTXOSTBWJGE-UHFFFAOYSA-N -1 3 269.728 1.886 20 10 CDCDHM C[C@]1(CO)CCN(Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC001233076786 943485239 /nfs/dbraw/zinc/48/52/39/943485239.db2.gz VDWRATXWTBMETJ-BXUZGUMPSA-N -1 3 287.306 1.236 20 10 CDCDHM C[C@@]1(O)COCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332589 943546739 /nfs/dbraw/zinc/54/67/39/943546739.db2.gz PYIIHSWSSPOWSP-ZDUSSCGKSA-N -1 3 273.279 1.254 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)C[C@H]1O ZINC001237122580 944660713 /nfs/dbraw/zinc/66/07/13/944660713.db2.gz WFXCIYFOCBVACD-WRWORJQWSA-N -1 3 259.708 1.997 20 10 CDCDHM COc1cc(C)c(C[NH2+]C[C@H](C)C(=O)[O-])c([O-])c1 ZINC001604695362 973893159 /nfs/dbraw/zinc/89/31/59/973893159.db2.gz PJUQHHDOFMHHGL-VIFPVBQESA-N -1 3 253.298 1.520 20 10 CDCDHM C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593261110 994547879 /nfs/dbraw/zinc/54/78/79/994547879.db2.gz KOMNAEVPVYDKQV-HQJQHLMTSA-N -1 3 289.278 1.757 20 10 CDCDHM C[C@H]([NH2+]CCn1cccn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286859 994648519 /nfs/dbraw/zinc/64/85/19/994648519.db2.gz YFQXJZCZQBTARJ-JTQLQIEISA-N -1 3 275.308 1.638 20 10 CDCDHM COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC001599391461 997044761 /nfs/dbraw/zinc/04/47/61/997044761.db2.gz YJKXSOIDDLXSBD-SECBINFHSA-N -1 3 253.298 1.614 20 10 CDCDHM COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC001599391461 997044768 /nfs/dbraw/zinc/04/47/68/997044768.db2.gz YJKXSOIDDLXSBD-SECBINFHSA-N -1 3 253.298 1.614 20 10 CDCDHM COC(=O)C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000093458447 360298276 /nfs/dbraw/zinc/29/82/76/360298276.db2.gz FGRVIALBWJAOBD-LBPRGKRZSA-N -1 3 299.754 1.810 20 10 CDCDHM CCOCCCCNC(=O)c1cccc(O)c1[O-] ZINC000192987392 364115318 /nfs/dbraw/zinc/11/53/18/364115318.db2.gz YHARJODSMKKTRW-UHFFFAOYSA-N -1 3 253.298 1.644 20 10 CDCDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cc(F)ccc1[O-] ZINC000272289810 365174504 /nfs/dbraw/zinc/17/45/04/365174504.db2.gz NZBSDUOICZCKHL-JJQCHNSYSA-N -1 3 271.357 1.873 20 10 CDCDHM CC(C)NC(=O)NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109771314 390648076 /nfs/dbraw/zinc/64/80/76/390648076.db2.gz CAYLYHCIZPBIBG-LLVKDONJSA-N -1 3 293.367 1.447 20 10 CDCDHM C[C@H](CO)CCCNC(=O)c1cccc(O)c1[O-] ZINC000229416835 391117299 /nfs/dbraw/zinc/11/72/99/391117299.db2.gz OCODOHXLUGAJIO-VIFPVBQESA-N -1 3 253.298 1.236 20 10 CDCDHM CSC[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182475094 391235036 /nfs/dbraw/zinc/23/50/36/391235036.db2.gz JRLWFCBGRHRIMM-MRVPVSSYSA-N -1 3 255.339 1.888 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCSC2)c([O-])c1O ZINC000182907944 391247031 /nfs/dbraw/zinc/24/70/31/391247031.db2.gz IMBWCHKCODTQBJ-SECBINFHSA-N -1 3 267.350 1.984 20 10 CDCDHM CN(C(=O)/C=C\c1cncc([O-])c1)c1ccn(C)n1 ZINC000492641545 392601481 /nfs/dbraw/zinc/60/14/81/392601481.db2.gz DDEDBMXGLVEZAV-ARJAWSKDSA-N -1 3 258.281 1.197 20 10 CDCDHM CCCN(CC(=O)OC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272839429 263009124 /nfs/dbraw/zinc/00/91/24/263009124.db2.gz RAOIPFCKVQLBLH-UHFFFAOYSA-N -1 3 281.308 1.431 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367826954 267119790 /nfs/dbraw/zinc/11/97/90/267119790.db2.gz CSWBXHNPQDFFRR-MBTKJCJQSA-N -1 3 271.719 1.855 20 10 CDCDHM COC[C@H](CO)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289779526 522685706 /nfs/dbraw/zinc/68/57/06/522685706.db2.gz KKVWUYZDGRXUTF-VIFPVBQESA-N -1 3 290.703 1.051 20 10 CDCDHM C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000185179326 327915178 /nfs/dbraw/zinc/91/51/78/327915178.db2.gz GZLWDJCRHUGHLO-SSDOTTSWSA-N -1 3 294.248 1.860 20 10 CDCDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1O ZINC000278565125 328227471 /nfs/dbraw/zinc/22/74/71/328227471.db2.gz BTEGMXPVDCWUAG-CABZTGNLSA-N -1 3 296.323 1.512 20 10 CDCDHM [O-]c1ccccc1CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377698884 329025575 /nfs/dbraw/zinc/02/55/75/329025575.db2.gz MXCOFCSOJJRKHZ-UKRRQHHQSA-N -1 3 263.337 1.772 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@]2(CCOC2)O1 ZINC000280507379 524539092 /nfs/dbraw/zinc/53/90/92/524539092.db2.gz LGPDCMZXNLMZME-ZUZCIYMTSA-N -1 3 293.319 1.118 20 10 CDCDHM Cc1ccc(C(=O)N2CC(=O)N(CC3CC3)C2)c([O-])c1O ZINC000279315569 526079825 /nfs/dbraw/zinc/07/98/25/526079825.db2.gz CCPABAQZHVOWQS-UHFFFAOYSA-N -1 3 290.319 1.058 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000732277498 575086027 /nfs/dbraw/zinc/08/60/27/575086027.db2.gz JJODNAYTDXKJNM-VIFPVBQESA-N -1 3 295.364 1.084 20 10 CDCDHM CCOC(=O)N1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732279236 575086346 /nfs/dbraw/zinc/08/63/46/575086346.db2.gz HEKSGUXWGLGVCU-UHFFFAOYSA-N -1 3 298.364 1.758 20 10 CDCDHM COc1c([O-])c(CN2CCCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774904258 575250053 /nfs/dbraw/zinc/25/00/53/575250053.db2.gz FGCJTDWHFDMKDQ-SNVBAGLBSA-N -1 3 296.323 1.920 20 10 CDCDHM C[C@H]1C[C@H](CNC(=O)c2cc([O-])cs2)CCO1 ZINC000771416149 575577158 /nfs/dbraw/zinc/57/71/58/575577158.db2.gz LHLZSIIGPRLNKF-DTWKUNHWSA-N -1 3 255.339 1.999 20 10 CDCDHM O=C(N[C@@H](CCO)C1CCOCC1)c1cc([O-])cs1 ZINC000764483427 575914708 /nfs/dbraw/zinc/91/47/08/575914708.db2.gz AMNQICPOVHWCGT-NSHDSACASA-N -1 3 285.365 1.361 20 10 CDCDHM CCOc1ccc(CN(CC)CC(=O)NC)c([O-])c1 ZINC000768301705 576269275 /nfs/dbraw/zinc/26/92/75/576269275.db2.gz IUPWZGHLOJGFBW-UHFFFAOYSA-N -1 3 266.341 1.359 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCS[C@@H]2COCC[C@H]21 ZINC000768374662 576276277 /nfs/dbraw/zinc/27/62/77/576276277.db2.gz KONFBDAYVUUPGJ-MWLCHTKSSA-N -1 3 285.390 1.800 20 10 CDCDHM CN(C)C(=O)N1CCN(Cc2ccccc2[O-])C(C)(C)C1 ZINC000761225352 576561147 /nfs/dbraw/zinc/56/11/47/576561147.db2.gz FGASQSVLCCXZRL-UHFFFAOYSA-N -1 3 291.395 1.970 20 10 CDCDHM C[C@H](NCC(=O)NCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757630794 577047020 /nfs/dbraw/zinc/04/70/20/577047020.db2.gz AABYMMLHMLHBMR-VIFPVBQESA-N -1 3 293.323 1.477 20 10 CDCDHM [O-]c1cccc(Cl)c1CNc1cnn(CCO)c1 ZINC000758298671 577093799 /nfs/dbraw/zinc/09/37/99/577093799.db2.gz BAEJZHDBUZWTTO-UHFFFAOYSA-N -1 3 267.716 1.847 20 10 CDCDHM O=C(N[C@]12CC(=O)N[C@H]1CCCC2)c1cccc(O)c1[O-] ZINC000891283169 617399349 /nfs/dbraw/zinc/39/93/49/617399349.db2.gz MLNYNXIWLKASPK-XHDPSFHLSA-N -1 3 290.319 1.029 20 10 CDCDHM CN(CCN1CCCC1=O)Cc1cc(F)cc(F)c1[O-] ZINC000894016507 618249131 /nfs/dbraw/zinc/24/91/31/618249131.db2.gz FCCSPMSRQPCDFI-UHFFFAOYSA-N -1 3 284.306 1.725 20 10 CDCDHM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000897681057 621070242 /nfs/dbraw/zinc/07/02/42/621070242.db2.gz YIHRWUOVYXVULK-MADCSZMMSA-N -1 3 259.708 1.997 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCN(CC(F)F)CC1 ZINC000779003719 677942615 /nfs/dbraw/zinc/94/26/15/677942615.db2.gz XVVFEVODQOSIFY-UHFFFAOYSA-N -1 3 274.286 1.914 20 10 CDCDHM O=C(N[C@H]1CCCCC12OCCO2)c1cccc(O)c1[O-] ZINC000715925538 678137604 /nfs/dbraw/zinc/13/76/04/678137604.db2.gz RRTJNASUKOYGSO-LBPRGKRZSA-N -1 3 293.319 1.513 20 10 CDCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc2c(c1)OCO2 ZINC000777905168 678147581 /nfs/dbraw/zinc/14/75/81/678147581.db2.gz CVYWYACUMVKXMR-UHFFFAOYSA-N -1 3 293.300 1.922 20 10 CDCDHM COC[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000846052553 677968451 /nfs/dbraw/zinc/96/84/51/677968451.db2.gz GBAAXKAVCQALET-GHMZBOCLSA-N -1 3 289.734 1.766 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1ccccc1 ZINC000811541333 677991976 /nfs/dbraw/zinc/99/19/76/677991976.db2.gz YLDSLMCSOXOZRW-IINYFYTJSA-N -1 3 287.315 1.950 20 10 CDCDHM O=C(Nc1nncn1-c1ccccc1)c1cccc(O)c1[O-] ZINC000189550378 678128768 /nfs/dbraw/zinc/12/87/68/678128768.db2.gz GVUJMZWLCGTSFX-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1CCc2n[nH]nc2C1 ZINC000827876686 678248045 /nfs/dbraw/zinc/24/80/45/678248045.db2.gz AYYSUKDFJPTOEV-UHFFFAOYSA-N -1 3 282.706 1.861 20 10 CDCDHM [O-]c1ccc(Cl)cc1CNCC(F)(F)CO ZINC000183878360 678342374 /nfs/dbraw/zinc/34/23/74/678342374.db2.gz IOIVRWWBHFJVQJ-UHFFFAOYSA-N -1 3 251.660 1.763 20 10 CDCDHM CO[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000388217372 678350190 /nfs/dbraw/zinc/35/01/90/678350190.db2.gz FWYPQUGIWDPGBW-NXEZZACHSA-N -1 3 265.309 1.737 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])ccc3ccncc32)CC(=O)N1 ZINC000840132357 678393032 /nfs/dbraw/zinc/39/30/32/678393032.db2.gz IDFAMSUUHMFTNP-JTQLQIEISA-N -1 3 271.320 1.261 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCC(F)(F)CN)c1 ZINC000817966420 678719689 /nfs/dbraw/zinc/71/96/89/678719689.db2.gz NJRNRQCWYNWJRF-QMMMGPOBSA-N -1 3 288.294 1.423 20 10 CDCDHM CC(C)(O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000719641251 678823400 /nfs/dbraw/zinc/82/34/00/678823400.db2.gz ZLYGWFDXHDPGPX-JTQLQIEISA-N -1 3 279.336 1.721 20 10 CDCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC(=O)N1 ZINC000824910372 678928757 /nfs/dbraw/zinc/92/87/57/678928757.db2.gz VAKJJSAOJZMBCW-MRVPVSSYSA-N -1 3 254.717 1.366 20 10 CDCDHM CN1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H](CO)C1 ZINC000877643203 679021008 /nfs/dbraw/zinc/02/10/08/679021008.db2.gz CIZREAOWCDSFFP-JTQLQIEISA-N -1 3 288.750 1.293 20 10 CDCDHM C[C@@H]1OCCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000193137474 679068052 /nfs/dbraw/zinc/06/80/52/679068052.db2.gz VCYNZSBBIIDNFI-IUCAKERBSA-N -1 3 251.282 1.347 20 10 CDCDHM CN(C)S(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879728 679353623 /nfs/dbraw/zinc/35/36/23/679353623.db2.gz BORMWEQGWHUQQD-UHFFFAOYSA-N -1 3 250.707 1.264 20 10 CDCDHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CS1 ZINC000397873549 679420213 /nfs/dbraw/zinc/42/02/13/679420213.db2.gz UKEXBTLRYIJHGN-JGVFFNPUSA-N -1 3 253.323 1.722 20 10 CDCDHM C[C@@H]([NH2+]CC1(O)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781194 1165078294 /nfs/dbraw/zinc/07/82/94/1165078294.db2.gz WVDLRQRJTZFCCL-SECBINFHSA-N -1 3 265.309 1.656 20 10 CDCDHM Nc1ccc(C(=O)NCc2ccc(O)cc2O)c([O-])c1 ZINC001580440046 1172436306 /nfs/dbraw/zinc/43/63/06/1172436306.db2.gz MGIBEUBGAHZCKJ-UHFFFAOYSA-N -1 3 274.276 1.316 20 10 CDCDHM CC(=O)C(=O)CSc1ccc(C)cc1-c1nnn[n-]1 ZINC001588781469 1173104702 /nfs/dbraw/zinc/10/47/02/1173104702.db2.gz DJZHKDFCIGUXKP-UHFFFAOYSA-N -1 3 276.321 1.425 20 10 CDCDHM CC(=O)C(=O)CSc1ccc(C)cc1-c1nn[n-]n1 ZINC001588781469 1173104703 /nfs/dbraw/zinc/10/47/03/1173104703.db2.gz DJZHKDFCIGUXKP-UHFFFAOYSA-N -1 3 276.321 1.425 20 10 CDCDHM C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589956841 1173211257 /nfs/dbraw/zinc/21/12/57/1173211257.db2.gz DQTHWYVJNBNNID-VHSXEESVSA-N -1 3 290.371 1.173 20 10 CDCDHM O=C([O-])[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1[O-] ZINC001601640062 1174921465 /nfs/dbraw/zinc/92/14/65/1174921465.db2.gz HPOWRCYRXKXHMP-MRVPVSSYSA-N -1 3 263.215 1.887 20 10 CDCDHM Cc1cccc(CN2CCOC[C@H]2CC(=O)[O-])c1O ZINC001607850516 1164309735 /nfs/dbraw/zinc/30/97/35/1164309735.db2.gz JILKNLJPFZWNDD-GFCCVEGCSA-N -1 3 265.309 1.376 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CCN2CCOC[C@@H]2C1 ZINC001140462536 936712704 /nfs/dbraw/zinc/71/27/04/936712704.db2.gz IHYUWKMJWMSTSB-ZDUSSCGKSA-N -1 3 282.771 1.562 20 10 CDCDHM CN(C1COC1)C1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140465898 936712787 /nfs/dbraw/zinc/71/27/87/936712787.db2.gz UIAKEWKKBWQVPK-UHFFFAOYSA-N -1 3 282.771 1.560 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001137837502 922979039 /nfs/dbraw/zinc/97/90/39/922979039.db2.gz JLHGHDWRJXEHHJ-CYBMUJFWSA-N -1 3 294.370 1.828 20 10 CDCDHM O=C(NCc1c[nH]cn1)c1ccc(O)c([O-])c1Cl ZINC001193208783 923532497 /nfs/dbraw/zinc/53/24/97/923532497.db2.gz ATQFJRHKQQODJP-UHFFFAOYSA-N -1 3 267.672 1.404 20 10 CDCDHM COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000843434094 937149774 /nfs/dbraw/zinc/14/97/74/937149774.db2.gz HPJNXJDGEWEWJP-GHMZBOCLSA-N -1 3 299.754 1.401 20 10 CDCDHM Cn1cnnc1CNCc1ccc(Br)cc1[O-] ZINC000691476449 928971375 /nfs/dbraw/zinc/97/13/75/928971375.db2.gz JPVMVTSNHCTWPZ-UHFFFAOYSA-N -1 3 297.156 1.573 20 10 CDCDHM C[C@H]1CC[C@@H](CO)N1C(=O)c1cccc(O)c1[O-] ZINC001148212269 932668280 /nfs/dbraw/zinc/66/82/80/932668280.db2.gz UXLULNMXUZYRRL-IUCAKERBSA-N -1 3 251.282 1.083 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCc2[nH]ccc2C1 ZINC001148219243 932670435 /nfs/dbraw/zinc/67/04/35/932670435.db2.gz YDZKNAJWROIJOS-UHFFFAOYSA-N -1 3 258.277 1.624 20 10 CDCDHM O=C(NCc1ccnn1CCF)c1cccc(O)c1[O-] ZINC001148224302 932671386 /nfs/dbraw/zinc/67/13/86/932671386.db2.gz HAVLLEPWJXWPDZ-UHFFFAOYSA-N -1 3 279.271 1.194 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CCC2)C1 ZINC001148583927 932750414 /nfs/dbraw/zinc/75/04/14/932750414.db2.gz HPWIMFIEHLOYJL-UHFFFAOYSA-N -1 3 263.293 1.820 20 10 CDCDHM O=C(NCc1cnc(Cl)cn1)c1cc(O)c([O-])c(O)c1 ZINC001148591297 932754247 /nfs/dbraw/zinc/75/42/47/932754247.db2.gz XFQKOYLXYZCQEI-UHFFFAOYSA-N -1 3 295.682 1.177 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)[C@H](O)c1ccccc1 ZINC001156171369 938327982 /nfs/dbraw/zinc/32/79/82/938327982.db2.gz ZYEFUKVSFKFCPX-CQSZACIVSA-N -1 3 275.279 1.881 20 10 CDCDHM COC(=O)CCCONC(=O)c1ccc(C)c(O)c1[O-] ZINC001157227478 938467835 /nfs/dbraw/zinc/46/78/35/938467835.db2.gz JSDJUYIMCNOACC-UHFFFAOYSA-N -1 3 283.280 1.021 20 10 CDCDHM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCNC2(CC2)C1 ZINC001161556385 938912039 /nfs/dbraw/zinc/91/20/39/938912039.db2.gz OEDFJMHVWOGSTA-UHFFFAOYSA-N -1 3 282.727 1.329 20 10 CDCDHM N[C@@]1(C(F)(F)F)CCN(Cc2cccc(F)c2[O-])C1 ZINC001206229477 940002889 /nfs/dbraw/zinc/00/28/89/940002889.db2.gz MCSXBDVFYDRKPP-NSHDSACASA-N -1 3 278.249 1.997 20 10 CDCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccnc2)no1 ZINC001215327876 940874134 /nfs/dbraw/zinc/87/41/34/940874134.db2.gz YJYSYLRLXTVQMY-UHFFFAOYSA-N -1 3 271.232 1.915 20 10 CDCDHM O=C(Nc1ccc(CO)cc1)c1cc(O)c([O-])c(O)c1 ZINC001219058218 941304730 /nfs/dbraw/zinc/30/47/30/941304730.db2.gz FIYYLIDYVDBAOL-UHFFFAOYSA-N -1 3 275.260 1.548 20 10 CDCDHM COC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231445877 942892374 /nfs/dbraw/zinc/89/23/74/942892374.db2.gz CCDFFHAHJHDOTJ-UHFFFAOYSA-N -1 3 265.309 1.701 20 10 CDCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCCOC1 ZINC001231453980 942899115 /nfs/dbraw/zinc/89/91/15/942899115.db2.gz SGNLZWBOLRMUFC-GFCCVEGCSA-N -1 3 265.309 1.701 20 10 CDCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCCOC1 ZINC001231453980 942899119 /nfs/dbraw/zinc/89/91/19/942899119.db2.gz SGNLZWBOLRMUFC-GFCCVEGCSA-N -1 3 265.309 1.701 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC001231560299 942926548 /nfs/dbraw/zinc/92/65/48/942926548.db2.gz GBIWNMUDFMZKSA-OAHLLOKOSA-N -1 3 277.320 1.703 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC001231560299 942926553 /nfs/dbraw/zinc/92/65/53/942926553.db2.gz GBIWNMUDFMZKSA-OAHLLOKOSA-N -1 3 277.320 1.703 20 10 CDCDHM CCOC(=O)[C@H]1[C@@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233335875 943548480 /nfs/dbraw/zinc/54/84/80/943548480.db2.gz PIRFOGYWWXKEDD-WOFXILAISA-N -1 3 297.301 1.911 20 10 CDCDHM Cc1cc([N-]S(=O)(=O)c2ccc(O)c(N)c2)ccc1O ZINC000722232178 944183444 /nfs/dbraw/zinc/18/34/44/944183444.db2.gz GRNLAJFAVHFSSQ-UHFFFAOYSA-N -1 3 294.332 1.789 20 10 CDCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H](O)[C@H](CO)C1 ZINC001237076930 944652977 /nfs/dbraw/zinc/65/29/77/944652977.db2.gz AWSRWLDSGDUJJD-CPCISQLKSA-N -1 3 292.162 1.484 20 10 CDCDHM CNC(=O)N[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001308673189 956557642 /nfs/dbraw/zinc/55/76/42/956557642.db2.gz VVYYREFBBQOGNC-VIFPVBQESA-N -1 3 285.294 1.174 20 10 CDCDHM Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)C(=O)[O-])c1[O-] ZINC001594308123 957987870 /nfs/dbraw/zinc/98/78/70/957987870.db2.gz MBLBPFIJUXDDJZ-GFCCVEGCSA-N -1 3 273.716 1.279 20 10 CDCDHM Cc1nc([C@@H](C)NC(=O)c2cccc(O)c2[O-])no1 ZINC001344117446 964237225 /nfs/dbraw/zinc/23/72/25/964237225.db2.gz YIZAXQIXKUJDSC-ZCFIWIBFSA-N -1 3 263.253 1.280 20 10 CDCDHM O=C([O-])[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC001350610110 966710501 /nfs/dbraw/zinc/71/05/01/966710501.db2.gz DCNAAYIRTQZUJC-AAEUAGOBSA-N -1 3 265.309 1.362 20 10 CDCDHM Cn1nccc1[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001605567357 973812123 /nfs/dbraw/zinc/81/21/23/973812123.db2.gz DDEAKWJDIMVKDF-LBPRGKRZSA-N -1 3 279.271 1.180 20 10 CDCDHM CN(C)c1ccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1F ZINC001598317732 991307074 /nfs/dbraw/zinc/30/70/74/991307074.db2.gz KQTPAIXFPKWNIZ-RYUDHWBXSA-N -1 3 296.342 1.159 20 10 CDCDHM CCCCCN(CCO)C(=O)c1cccc(O)c1[O-] ZINC000189537417 358022129 /nfs/dbraw/zinc/02/21/29/358022129.db2.gz JLOFIUWYHIYSRH-UHFFFAOYSA-N -1 3 267.325 1.723 20 10 CDCDHM O=C1OCC[C@]12CCCN2Cc1cc(F)ccc1[O-] ZINC000190042161 358050589 /nfs/dbraw/zinc/05/05/89/358050589.db2.gz LSCOUYCXRYHXCH-CQSZACIVSA-N -1 3 265.284 1.813 20 10 CDCDHM C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(F)cc1[O-] ZINC000281232168 363768425 /nfs/dbraw/zinc/76/84/25/363768425.db2.gz UUUSUXCWSMXJKS-SECBINFHSA-N -1 3 287.356 1.759 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)Cn2ccnc2)c([O-])c1O ZINC000272527498 365277299 /nfs/dbraw/zinc/27/72/99/365277299.db2.gz ABYVODMCMOJGOZ-SNVBAGLBSA-N -1 3 275.308 1.421 20 10 CDCDHM CCOC(=O)C[C@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000273059161 365467051 /nfs/dbraw/zinc/46/70/51/365467051.db2.gz XWBUDVQRYRZPAR-VIFPVBQESA-N -1 3 295.335 1.725 20 10 CDCDHM CC[C@H](C)[C@H](CNC(=O)c1cccc(O)c1[O-])OC ZINC000294239942 371357256 /nfs/dbraw/zinc/35/72/56/371357256.db2.gz PCXSXRBGGTUSQF-CABZTGNLSA-N -1 3 267.325 1.889 20 10 CDCDHM CC(C)CNC(=O)CN(C)Cc1ccccc1[O-] ZINC000109768945 390647960 /nfs/dbraw/zinc/64/79/60/390647960.db2.gz MEAADIVWJAZNBM-UHFFFAOYSA-N -1 3 250.342 1.596 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC3(CCC3)C2)c([O-])c1O ZINC000182960103 391247822 /nfs/dbraw/zinc/24/78/22/391247822.db2.gz OSLRPIWMPMGESP-UHFFFAOYSA-N -1 3 277.320 1.801 20 10 CDCDHM CCN(CC)c1ccc(CNC(=O)c2c[n-]nn2)cc1F ZINC000071889205 176290879 /nfs/dbraw/zinc/29/08/79/176290879.db2.gz KBPNSLQDDFIMGD-UHFFFAOYSA-N -1 3 291.330 1.720 20 10 CDCDHM CCN(CC)c1ccc(CNC(=O)c2cnn[n-]2)cc1F ZINC000071889205 176290882 /nfs/dbraw/zinc/29/08/82/176290882.db2.gz KBPNSLQDDFIMGD-UHFFFAOYSA-N -1 3 291.330 1.720 20 10 CDCDHM CCN(CC)c1ccc(CNC(=O)c2cn[n-]n2)cc1F ZINC000071889205 176290883 /nfs/dbraw/zinc/29/08/83/176290883.db2.gz KBPNSLQDDFIMGD-UHFFFAOYSA-N -1 3 291.330 1.720 20 10 CDCDHM CC(C)CCOCCNC(=O)c1cccc(O)c1[O-] ZINC000126363077 260349062 /nfs/dbraw/zinc/34/90/62/260349062.db2.gz ICUJOIZSHMZXEC-UHFFFAOYSA-N -1 3 267.325 1.890 20 10 CDCDHM CCCN(CC(=O)N(C)C)C(=O)c1cccc(O)c1[O-] ZINC000126328652 260350645 /nfs/dbraw/zinc/35/06/45/260350645.db2.gz WREDHIXZTHXSHU-UHFFFAOYSA-N -1 3 280.324 1.038 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)CCCO)c([O-])c1O ZINC000182592580 261944935 /nfs/dbraw/zinc/94/49/35/261944935.db2.gz QOWKVKKWGLGUFY-VIFPVBQESA-N -1 3 253.298 1.297 20 10 CDCDHM CN1C[C@@H]2C[C@H]1CN2Cc1c([O-])cc(F)cc1F ZINC001140583610 1159145530 /nfs/dbraw/zinc/14/55/30/1159145530.db2.gz NPTWFXGTMBNVFZ-UWVGGRQHSA-N -1 3 254.280 1.559 20 10 CDCDHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000126284279 329591217 /nfs/dbraw/zinc/59/12/17/329591217.db2.gz KAMSWSGQRUHKMZ-UWVGGRQHSA-N -1 3 265.309 1.737 20 10 CDCDHM CCOC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000280377371 520968116 /nfs/dbraw/zinc/96/81/16/520968116.db2.gz DYYCEWNIMYALPA-VIFPVBQESA-N -1 3 294.307 1.058 20 10 CDCDHM CN(Cc1ccccc1O)C(=O)c1csc(=O)[n-]1 ZINC000769710297 575390741 /nfs/dbraw/zinc/39/07/41/575390741.db2.gz KKUGUGRWRLXOQD-UHFFFAOYSA-N -1 3 264.306 1.827 20 10 CDCDHM Cc1noc([C@H](C)NC(=O)c2cc([O-])cs2)n1 ZINC000731872299 575067656 /nfs/dbraw/zinc/06/76/56/575067656.db2.gz CSIXNPVGWSQEBH-YFKPBYRVSA-N -1 3 253.283 1.636 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(C(=O)C2CC2)CC1 ZINC000732257611 575086088 /nfs/dbraw/zinc/08/60/88/575086088.db2.gz VKHNXBZMNWTTOU-UHFFFAOYSA-N -1 3 280.349 1.148 20 10 CDCDHM CC1(C)OC[C@@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000769218418 576338473 /nfs/dbraw/zinc/33/84/73/576338473.db2.gz VPZXAPUNFONYIP-MRVPVSSYSA-N -1 3 257.311 1.335 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCNC2=O)c1[O-] ZINC000759435488 576389389 /nfs/dbraw/zinc/38/93/89/576389389.db2.gz GZVHLAAGEUGRIB-GFCCVEGCSA-N -1 3 280.299 1.054 20 10 CDCDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756777169 577003845 /nfs/dbraw/zinc/00/38/45/577003845.db2.gz WJXCEEUBAQBOFZ-OQPBUACISA-N -1 3 297.305 1.788 20 10 CDCDHM COC(=O)C(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000757437528 577040002 /nfs/dbraw/zinc/04/00/02/577040002.db2.gz MPBHRJAFAPRFAU-UHFFFAOYSA-N -1 3 257.311 1.383 20 10 CDCDHM O=C1CC[C@@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC000211586853 679769156 /nfs/dbraw/zinc/76/91/56/679769156.db2.gz ZJJYOASEWOVFGR-SNVBAGLBSA-N -1 3 280.755 1.852 20 10 CDCDHM O=C(NCC[C@H](O)c1ccccc1)c1cccc(O)c1[O-] ZINC000790805893 679830130 /nfs/dbraw/zinc/83/01/30/679830130.db2.gz SCJIJGZAUSPNTK-ZDUSSCGKSA-N -1 3 287.315 1.951 20 10 CDCDHM Cc1noc([C@H](C)N(C)C(=O)c2cccc(O)c2[O-])n1 ZINC000848323080 681242934 /nfs/dbraw/zinc/24/29/34/681242934.db2.gz BPPGZMXDRKAXFH-ZETCQYMHSA-N -1 3 277.280 1.622 20 10 CDCDHM O=C(N[C@H]1CCN(CC(F)F)C1)c1cccc(O)c1[O-] ZINC000841473755 681972434 /nfs/dbraw/zinc/97/24/34/681972434.db2.gz QEJDBVZLURDEJC-QMMMGPOBSA-N -1 3 286.278 1.167 20 10 CDCDHM CC(=O)N[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000228357038 681975581 /nfs/dbraw/zinc/97/55/81/681975581.db2.gz ORVMCUFZCWBHAF-NSHDSACASA-N -1 3 252.289 1.242 20 10 CDCDHM Cc1nnc(CNC(=O)c2cccc(O)c2[O-])s1 ZINC000392094327 682265348 /nfs/dbraw/zinc/26/53/48/682265348.db2.gz HHOVIDMLZKEJBM-UHFFFAOYSA-N -1 3 265.294 1.188 20 10 CDCDHM O=C(Nc1cc2ccccn2n1)c1cccc(O)c1[O-] ZINC000804376453 682329097 /nfs/dbraw/zinc/32/90/97/682329097.db2.gz CVDUFBZKPKUDNB-UHFFFAOYSA-N -1 3 269.260 1.998 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)NC(C)C)c1[O-] ZINC000050152043 683840249 /nfs/dbraw/zinc/84/02/49/683840249.db2.gz AIRLWTIXFRUENL-UHFFFAOYSA-N -1 3 296.342 1.690 20 10 CDCDHM Cc1cc([O-])c(CN2CCNC(=O)C2)cc1Cl ZINC000824516961 684139145 /nfs/dbraw/zinc/13/91/45/684139145.db2.gz YELRWTJFIJGATL-UHFFFAOYSA-N -1 3 254.717 1.286 20 10 CDCDHM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001591606667 1173674515 /nfs/dbraw/zinc/67/45/15/1173674515.db2.gz UQFKTDIOOXULRU-UHFFFAOYSA-N -1 3 296.334 1.907 20 10 CDCDHM COc1ccc(N(C)Cc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001591606667 1173674517 /nfs/dbraw/zinc/67/45/17/1173674517.db2.gz UQFKTDIOOXULRU-UHFFFAOYSA-N -1 3 296.334 1.907 20 10 CDCDHM Oc1ccc(CCNc2cc(-c3nnn[n-]3)ccn2)cc1O ZINC001593540272 1174112021 /nfs/dbraw/zinc/11/20/21/1174112021.db2.gz CYZKHBQGFYXPIT-UHFFFAOYSA-N -1 3 298.306 1.328 20 10 CDCDHM Oc1ccc(CCNc2cc(-c3nn[n-]n3)ccn2)cc1O ZINC001593540272 1174112027 /nfs/dbraw/zinc/11/20/27/1174112027.db2.gz CYZKHBQGFYXPIT-UHFFFAOYSA-N -1 3 298.306 1.328 20 10 CDCDHM COc1cc(C)c(C[N@@H+]2CC[C@@](OC)(C(=O)[O-])C2)c([O-])c1 ZINC001607148864 1164122086 /nfs/dbraw/zinc/12/20/86/1164122086.db2.gz UOPFGVVLBRQMAA-HNNXBMFYSA-N -1 3 295.335 1.385 20 10 CDCDHM COc1cc(C)c(C[N@H+]2CC[C@@](OC)(C(=O)[O-])C2)c([O-])c1 ZINC001607148864 1164122089 /nfs/dbraw/zinc/12/20/89/1164122089.db2.gz UOPFGVVLBRQMAA-HNNXBMFYSA-N -1 3 295.335 1.385 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001137832967 936417484 /nfs/dbraw/zinc/41/74/84/936417484.db2.gz OALDMTYMLIJFNS-VZJVUDMVSA-N -1 3 281.327 1.503 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN(C2CC2)CC1 ZINC001137831931 936416701 /nfs/dbraw/zinc/41/67/01/936416701.db2.gz SVMTWGXIGVWBRR-UHFFFAOYSA-N -1 3 250.317 1.811 20 10 CDCDHM CCOC(=O)CN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138122532 936473943 /nfs/dbraw/zinc/47/39/43/936473943.db2.gz LGKVNIIZMKAMKU-UHFFFAOYSA-N -1 3 296.342 1.212 20 10 CDCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(CO)C1 ZINC001139127073 936599937 /nfs/dbraw/zinc/59/99/37/936599937.db2.gz DSGFZSBMXSOEIV-UHFFFAOYSA-N -1 3 275.304 1.231 20 10 CDCDHM CNC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464418 936712232 /nfs/dbraw/zinc/71/22/32/936712232.db2.gz OXSRSUKKZPPEMU-UHFFFAOYSA-N -1 3 283.759 1.503 20 10 CDCDHM Cc1cnc(NC(=O)c2ccc([O-])c(O)c2Cl)c(=O)[nH]1 ZINC001193247204 923564227 /nfs/dbraw/zinc/56/42/27/923564227.db2.gz OWUBKYABCPQMIT-UHFFFAOYSA-N -1 3 295.682 1.395 20 10 CDCDHM CCOC(=O)C(F)(F)CNC(=O)c1cccc(O)c1[O-] ZINC001148220054 932672204 /nfs/dbraw/zinc/67/22/04/932672204.db2.gz NMRIAEONMUQESY-UHFFFAOYSA-N -1 3 289.234 1.026 20 10 CDCDHM C[C@H]1C[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)CCO1 ZINC001148591346 932754068 /nfs/dbraw/zinc/75/40/68/932754068.db2.gz YHRGSJZKHRBFKI-IONNQARKSA-N -1 3 267.281 1.101 20 10 CDCDHM C[C@@]1(NC(=O)c2cc(O)c([O-])c(O)c2)CCCOC1 ZINC001148590070 932754109 /nfs/dbraw/zinc/75/41/09/932754109.db2.gz AQVRUCWRGNNARB-CYBMUJFWSA-N -1 3 267.281 1.102 20 10 CDCDHM COc1cc([O-])c(CN2CC[C@](F)(CO)C2)cc1Cl ZINC001232265943 943195012 /nfs/dbraw/zinc/19/50/12/943195012.db2.gz HNDVRMNMNHGAIO-CYBMUJFWSA-N -1 3 289.734 1.961 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001604870821 974118585 /nfs/dbraw/zinc/11/85/85/974118585.db2.gz BVGSBYANRIDCEH-WDEREUQCSA-N -1 3 279.336 1.943 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001604870821 974118591 /nfs/dbraw/zinc/11/85/91/974118591.db2.gz BVGSBYANRIDCEH-WDEREUQCSA-N -1 3 279.336 1.943 20 10 CDCDHM C[C@H]([NH2+][C@H](CO)CC(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593211222 994262502 /nfs/dbraw/zinc/26/25/02/994262502.db2.gz VWBNJLPXSSEPFJ-CBAPKCEASA-N -1 3 289.278 1.757 20 10 CDCDHM C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256438 994521347 /nfs/dbraw/zinc/52/13/47/994521347.db2.gz HRGMCHYRIOBDRH-GXSJLCMTSA-N -1 3 265.309 1.920 20 10 CDCDHM COCC1([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001599200793 997301857 /nfs/dbraw/zinc/30/18/57/997301857.db2.gz UOFGNXULLDWPGU-SECBINFHSA-N -1 3 265.309 1.920 20 10 CDCDHM CC[C@H](CO)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000293908456 358479774 /nfs/dbraw/zinc/47/97/74/358479774.db2.gz HVKWSFIKHAOWFF-GFCCVEGCSA-N -1 3 269.316 1.937 20 10 CDCDHM CCCOc1ccc([C@H]2NC(=O)CN2C)c([O-])c1 ZINC000298766119 356912512 /nfs/dbraw/zinc/91/25/12/356912512.db2.gz BLGPABDDCJZDOA-ZDUSSCGKSA-N -1 3 250.298 1.241 20 10 CDCDHM CN1CCN(Cc2cc(F)ccc2[O-])C(C)(C)C1=O ZINC000180195955 357250752 /nfs/dbraw/zinc/25/07/52/357250752.db2.gz ROJQQNFQDOSHFN-UHFFFAOYSA-N -1 3 266.316 1.584 20 10 CDCDHM C[C@H](CCCCO)NC(=O)c1cccc(O)c1[O-] ZINC000295850294 357565762 /nfs/dbraw/zinc/56/57/62/357565762.db2.gz SESMDVDQNQRBNO-SECBINFHSA-N -1 3 253.298 1.379 20 10 CDCDHM C[C@@H](O)CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000188733588 357931873 /nfs/dbraw/zinc/93/18/73/357931873.db2.gz FBKXZBPYZCONDC-LLVKDONJSA-N -1 3 268.332 1.030 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](CO)C(C)(C)C)c([O-])c1O ZINC000192860020 358244603 /nfs/dbraw/zinc/24/46/03/358244603.db2.gz WOQSNZMUIQAMQM-SNVBAGLBSA-N -1 3 267.325 1.543 20 10 CDCDHM C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1ccccc1[O-] ZINC000114721378 359494121 /nfs/dbraw/zinc/49/41/21/359494121.db2.gz KDJDSLSKNUFGKK-OCCSQVGLSA-N -1 3 292.379 1.508 20 10 CDCDHM Cc1nc(C(C)(C)NC(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000272868162 365425592 /nfs/dbraw/zinc/42/55/92/365425592.db2.gz VUTGJCXLRKZBLP-UHFFFAOYSA-N -1 3 291.307 1.763 20 10 CDCDHM C[C@@H](N[C@@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273378340 365491434 /nfs/dbraw/zinc/49/14/34/365491434.db2.gz HTRMRGKYHNBKHC-BXKDBHETSA-N -1 3 293.323 1.620 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294690313 371084394 /nfs/dbraw/zinc/08/43/94/371084394.db2.gz GDJHASINFWHHEE-HOCLYGCPSA-N -1 3 289.331 1.881 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](O)C[C@H]2CO)c1[O-] ZINC000248390582 377237763 /nfs/dbraw/zinc/23/77/63/377237763.db2.gz IIFKKOIMKRCMHG-NWDGAFQWSA-N -1 3 299.754 1.176 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)CO1 ZINC000126259143 390920419 /nfs/dbraw/zinc/92/04/19/390920419.db2.gz PEHMQPPUCXUBQV-DTWKUNHWSA-N -1 3 251.282 1.347 20 10 CDCDHM O=C(NCC1CCSCC1)c1cccc(O)c1[O-] ZINC000126551739 390921173 /nfs/dbraw/zinc/92/11/73/390921173.db2.gz ZPKGEIMJSYNGRG-UHFFFAOYSA-N -1 3 267.350 1.971 20 10 CDCDHM Cc1ccc(C(=O)NC2(c3nc[nH]n3)CCC2)c([O-])c1O ZINC000194288858 391355541 /nfs/dbraw/zinc/35/55/41/391355541.db2.gz AIVYJYHZCJWINA-UHFFFAOYSA-N -1 3 288.307 1.334 20 10 CDCDHM CC(C)(C)C[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000185877642 262310589 /nfs/dbraw/zinc/31/05/89/262310589.db2.gz SENOVQPQHXGVQP-VIFPVBQESA-N -1 3 267.325 1.625 20 10 CDCDHM COC(=O)C[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000180166125 329218198 /nfs/dbraw/zinc/21/81/98/329218198.db2.gz PFELBPUTWRXUER-GFCCVEGCSA-N -1 3 283.299 1.295 20 10 CDCDHM Cc1ccc2c(n1)OCCN2C(=O)/C=C/c1cncc([O-])c1 ZINC000182184408 329240489 /nfs/dbraw/zinc/24/04/89/329240489.db2.gz IJDDFLQDOSENLA-HWKANZROSA-N -1 3 297.314 1.929 20 10 CDCDHM CCCN(CC(=O)NC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050151278 521544692 /nfs/dbraw/zinc/54/46/92/521544692.db2.gz NOJAOCOCYFUUQJ-UHFFFAOYSA-N -1 3 296.342 1.692 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000062745937 521745639 /nfs/dbraw/zinc/74/56/39/521745639.db2.gz IQPZNEMIJJTMKQ-IUCAKERBSA-N -1 3 254.305 1.707 20 10 CDCDHM COc1c([O-])c(CN2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278200148 521872889 /nfs/dbraw/zinc/87/28/89/521872889.db2.gz IVUZQQRUTOOXLO-JTQLQIEISA-N -1 3 282.296 1.266 20 10 CDCDHM COC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])[C@@H]1CCCO1 ZINC000279340000 522341599 /nfs/dbraw/zinc/34/15/99/522341599.db2.gz DUXGCXKYUXSPMX-NEPJUHHUSA-N -1 3 295.335 1.330 20 10 CDCDHM COC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCO1 ZINC000278591115 522359994 /nfs/dbraw/zinc/35/99/94/522359994.db2.gz GYEMRFQJSCGUCX-TZMCWYRMSA-N -1 3 296.323 1.584 20 10 CDCDHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000229417025 524803323 /nfs/dbraw/zinc/80/33/23/524803323.db2.gz CFEIRHXPQZJZER-IUCAKERBSA-N -1 3 251.282 1.395 20 10 CDCDHM O=C(c1ccco1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000084857711 526831217 /nfs/dbraw/zinc/83/12/17/526831217.db2.gz KARNNMHRFQHGAZ-UHFFFAOYSA-N -1 3 286.331 1.943 20 10 CDCDHM CN(C)c1nc(CNC(=O)c2cc([O-])cs2)cs1 ZINC000746893165 574883647 /nfs/dbraw/zinc/88/36/47/574883647.db2.gz AAAWBMDRTFNUTJ-UHFFFAOYSA-N -1 3 283.378 1.906 20 10 CDCDHM CCOC(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731867157 575068494 /nfs/dbraw/zinc/06/84/94/575068494.db2.gz XONUJQRNQAVAFY-UHFFFAOYSA-N -1 3 284.337 1.368 20 10 CDCDHM COc1ccc([C@H](O)CNC(=O)c2cc([O-])cs2)cc1 ZINC000731869100 575068941 /nfs/dbraw/zinc/06/89/41/575068941.db2.gz LSVGVVXSOIULCM-GFCCVEGCSA-N -1 3 293.344 1.926 20 10 CDCDHM Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)on1 ZINC000731911980 575070423 /nfs/dbraw/zinc/07/04/23/575070423.db2.gz PEYBILFFZGQWKP-SSDOTTSWSA-N -1 3 296.304 1.934 20 10 CDCDHM CN(C[C@@H]1CCCOC1)C(=O)c1cc([O-])cs1 ZINC000732289616 575087058 /nfs/dbraw/zinc/08/70/58/575087058.db2.gz IXNDJQMYMYPUJS-VIFPVBQESA-N -1 3 255.339 1.952 20 10 CDCDHM CC1(C)C[C@H](NC(=O)c2cc([O-])cs2)C(=O)O1 ZINC000765149716 575992158 /nfs/dbraw/zinc/99/21/58/575992158.db2.gz PSLVNDTXAQAMKI-ZETCQYMHSA-N -1 3 255.295 1.278 20 10 CDCDHM Cc1ccc([O-])c(C[NH2+]C2CCN(C(=O)[O-])CC2)c1 ZINC000738287701 576056418 /nfs/dbraw/zinc/05/64/18/576056418.db2.gz RTRSMPSDCHUIEF-UHFFFAOYSA-N -1 3 264.325 1.933 20 10 CDCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)[C@@H](O)C(F)(F)F ZINC000766249770 576088857 /nfs/dbraw/zinc/08/88/57/576088857.db2.gz PNEYPKXDBHSNOQ-HTRCEHHLSA-N -1 3 283.271 1.885 20 10 CDCDHM CC[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768441870 576283100 /nfs/dbraw/zinc/28/31/00/576283100.db2.gz PTHWYVRUQWGSOU-FZMZJTMJSA-N -1 3 279.336 1.429 20 10 CDCDHM CCOc1ccc(CN2CCn3c(C)nnc3C2)c([O-])c1 ZINC000769365724 576349209 /nfs/dbraw/zinc/34/92/09/576349209.db2.gz UQEFVTAQTDVXHG-UHFFFAOYSA-N -1 3 288.351 1.707 20 10 CDCDHM CCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)[C@]12CCCO2 ZINC000760455164 576485546 /nfs/dbraw/zinc/48/55/46/576485546.db2.gz RUVTUZKDTGQRFM-YRGRVCCFSA-N -1 3 297.376 1.910 20 10 CDCDHM CSC[C@@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000743716093 576652213 /nfs/dbraw/zinc/65/22/13/576652213.db2.gz WPNZFZAHRSSFAM-JTQLQIEISA-N -1 3 261.368 1.298 20 10 CDCDHM CCCOC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000745002174 576709608 /nfs/dbraw/zinc/70/96/08/576709608.db2.gz HXPVLGGNOGTRBB-SSDOTTSWSA-N -1 3 258.295 1.952 20 10 CDCDHM C[C@H]1COC(C)(C)CN1C(=O)c1cccc(O)c1[O-] ZINC000754746549 576913202 /nfs/dbraw/zinc/91/32/02/576913202.db2.gz ZRXYQVJTAKESGL-VIFPVBQESA-N -1 3 265.309 1.737 20 10 CDCDHM O=C(NCCOC1CCSCC1)c1cccc(O)c1[O-] ZINC000891227019 617387232 /nfs/dbraw/zinc/38/72/32/617387232.db2.gz NSSBGPMNNLIOEH-UHFFFAOYSA-N -1 3 297.376 1.740 20 10 CDCDHM Cc1cncc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC000893212502 617466218 /nfs/dbraw/zinc/46/62/18/617466218.db2.gz GKTXWAVSQUDUPA-SNAWJCMRSA-N -1 3 296.330 1.878 20 10 CDCDHM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000840558813 617977065 /nfs/dbraw/zinc/97/70/65/617977065.db2.gz KOAVYZIUCNSHQI-NXEZZACHSA-N -1 3 265.309 1.331 20 10 CDCDHM O=C(Nc1cnn(C(F)F)c1)c1cccc(O)c1[O-] ZINC000790596181 685910223 /nfs/dbraw/zinc/91/02/23/685910223.db2.gz BVFPYOGOHKESTP-UHFFFAOYSA-N -1 3 269.207 1.942 20 10 CDCDHM COCCN1C(=O)C2(CC2)N[C@@H]1c1cc(F)ccc1[O-] ZINC000840837917 684452951 /nfs/dbraw/zinc/45/29/51/684452951.db2.gz OUTUGUSQCFSGID-LBPRGKRZSA-N -1 3 280.299 1.141 20 10 CDCDHM C[C@H](NCC(=O)NCC(F)F)c1c([O-])cccc1F ZINC000886604746 684686908 /nfs/dbraw/zinc/68/69/08/684686908.db2.gz BSKWZPSMHUXZHT-ZETCQYMHSA-N -1 3 276.258 1.563 20 10 CDCDHM NC(=O)N[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816521330 684798849 /nfs/dbraw/zinc/79/88/49/684798849.db2.gz MPOQVLQCYDTMJC-QMMMGPOBSA-N -1 3 287.722 1.427 20 10 CDCDHM Cc1cccc2nc(CNC(=O)c3cccc(O)c3[O-])cn21 ZINC000187083969 684835115 /nfs/dbraw/zinc/83/51/15/684835115.db2.gz AELUQAWQZRHMOL-UHFFFAOYSA-N -1 3 297.314 1.984 20 10 CDCDHM COC(=O)[C@H]1C[C@H](O)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000843434098 684955931 /nfs/dbraw/zinc/95/59/31/684955931.db2.gz HPJNXJDGEWEWJP-QWRGUYRKSA-N -1 3 299.754 1.401 20 10 CDCDHM CN(Cc1cc(Cl)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000132400565 685055754 /nfs/dbraw/zinc/05/57/54/685055754.db2.gz MRFYOCBEOBIXPY-LLVKDONJSA-N -1 3 289.784 1.665 20 10 CDCDHM Cc1cc([O-])c(CNCc2nnn(C)n2)cc1Cl ZINC000825726878 685821091 /nfs/dbraw/zinc/82/10/91/685821091.db2.gz XXJVHGSZNSKAJS-UHFFFAOYSA-N -1 3 267.720 1.167 20 10 CDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCO1 ZINC000187206151 685850021 /nfs/dbraw/zinc/85/00/21/685850021.db2.gz LTKSMXWFCDMRMU-CMPLNLGQSA-N -1 3 265.309 1.785 20 10 CDCDHM O=C(N[C@H]1CCN(C2CC2)C1)c1c(F)ccc(O)c1[O-] ZINC000789963397 685885149 /nfs/dbraw/zinc/88/51/49/685885149.db2.gz MHIJIMAVMCBZER-QMMMGPOBSA-N -1 3 280.299 1.203 20 10 CDCDHM CCC[C@@H](NCc1cc(F)ccc1[O-])C(=O)OC ZINC000083409675 686288356 /nfs/dbraw/zinc/28/83/56/686288356.db2.gz JZMDCPGFWJRBTB-LLVKDONJSA-N -1 3 255.289 1.963 20 10 CDCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])CC1(C)OCCO1 ZINC000715926670 686819791 /nfs/dbraw/zinc/81/97/91/686819791.db2.gz KTJWKGJUVLCGNN-JTQLQIEISA-N -1 3 295.335 1.617 20 10 CDCDHM C[C@H]1SCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000310454736 687089594 /nfs/dbraw/zinc/08/95/94/687089594.db2.gz CONJKHWLVGKLLO-VXNVDRBHSA-N -1 3 253.323 1.722 20 10 CDCDHM CCn1cc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000390382878 687133969 /nfs/dbraw/zinc/13/39/69/687133969.db2.gz CDKDADLDLYVVFQ-UHFFFAOYSA-N -1 3 261.281 1.244 20 10 CDCDHM CC[C@@H](C)C[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000844032634 687624317 /nfs/dbraw/zinc/62/43/17/687624317.db2.gz GKPXRDSBCBHGSF-NXEZZACHSA-N -1 3 267.325 1.625 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CC(OCC(F)F)C1 ZINC000839139297 687847595 /nfs/dbraw/zinc/84/75/95/687847595.db2.gz YIJOIRAOKNHGQD-UHFFFAOYSA-N -1 3 261.243 1.997 20 10 CDCDHM CCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c([O-])c1 ZINC001605690707 1163643598 /nfs/dbraw/zinc/64/35/98/1163643598.db2.gz NUCNPEBYOKONPZ-JTQLQIEISA-N -1 3 267.325 1.943 20 10 CDCDHM CCOc1ccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])c([O-])c1 ZINC001605690707 1163643602 /nfs/dbraw/zinc/64/36/02/1163643602.db2.gz NUCNPEBYOKONPZ-JTQLQIEISA-N -1 3 267.325 1.943 20 10 CDCDHM O=C1NCC2(CCN(Cc3c([O-])cc(F)cc3F)CC2)N1 ZINC001140585955 1167051311 /nfs/dbraw/zinc/05/13/11/1167051311.db2.gz XHGYGYPLOXQYQD-UHFFFAOYSA-N -1 3 297.305 1.318 20 10 CDCDHM Nc1ccc(N(CCO)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175428143 913604776 /nfs/dbraw/zinc/60/47/76/913604776.db2.gz DRBPQZIGONIPOQ-UHFFFAOYSA-N -1 3 296.334 1.579 20 10 CDCDHM CN(C)C[C@H]1CN(Cc2c(F)ccc(F)c2[O-])CCO1 ZINC001139685810 901333705 /nfs/dbraw/zinc/33/37/05/901333705.db2.gz XYBZYSIXAQXKGU-JTQLQIEISA-N -1 3 286.322 1.433 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCO[C@H]2C[C@@H](CO)C[C@@H]21 ZINC001138123676 936474003 /nfs/dbraw/zinc/47/40/03/936474003.db2.gz GPMNMGKQNVLEBD-BPNCWPANSA-N -1 3 281.327 1.503 20 10 CDCDHM CC(=O)[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140468219 936713271 /nfs/dbraw/zinc/71/32/71/936713271.db2.gz ALHGVYSJJAQIHT-CYBMUJFWSA-N -1 3 269.728 1.835 20 10 CDCDHM Cn1ncc2cc(NC(=O)c3cccc(O)c3[O-])cnc21 ZINC001148211866 932666235 /nfs/dbraw/zinc/66/62/35/932666235.db2.gz AAWCIUFVGXCOST-UHFFFAOYSA-N -1 3 284.275 1.632 20 10 CDCDHM O=C(Nc1ccn2cnnc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148581155 932750899 /nfs/dbraw/zinc/75/08/99/932750899.db2.gz MNFDUBMFCFABMA-UHFFFAOYSA-N -1 3 286.247 1.098 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@](O)(CF)CC1 ZINC001148581828 932751753 /nfs/dbraw/zinc/75/17/53/932751753.db2.gz BSXUEIYXIAUXPL-CQSZACIVSA-N -1 3 299.298 1.130 20 10 CDCDHM CN1C[C@@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H](C1)O2 ZINC001276470547 939769342 /nfs/dbraw/zinc/76/93/42/939769342.db2.gz OYTSWMZCUPYXLN-AOOOYVTPSA-N -1 3 284.306 1.185 20 10 CDCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@@H](F)[C@@H](N)C1 ZINC001204823353 939794690 /nfs/dbraw/zinc/79/46/90/939794690.db2.gz KGXJBFRVXVKUIK-NEPJUHHUSA-N -1 3 292.310 1.288 20 10 CDCDHM [O-]c1c(O)cc(-c2nc(-c3ccncc3)no2)cc1O ZINC001215328512 940874954 /nfs/dbraw/zinc/87/49/54/940874954.db2.gz IOYNDPJEYLHRBX-UHFFFAOYSA-N -1 3 271.232 1.915 20 10 CDCDHM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@H]1O ZINC001231447003 942895182 /nfs/dbraw/zinc/89/51/82/942895182.db2.gz NIPAZYYWHUHGAB-JOYOIKCWSA-N -1 3 265.309 1.293 20 10 CDCDHM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@H]1O ZINC001231447003 942895184 /nfs/dbraw/zinc/89/51/84/942895184.db2.gz NIPAZYYWHUHGAB-JOYOIKCWSA-N -1 3 265.309 1.293 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001231451457 942896850 /nfs/dbraw/zinc/89/68/50/942896850.db2.gz YTLRZJVTJKYROT-NSHDSACASA-N -1 3 251.282 1.047 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001231451457 942896854 /nfs/dbraw/zinc/89/68/54/942896854.db2.gz YTLRZJVTJKYROT-NSHDSACASA-N -1 3 251.282 1.047 20 10 CDCDHM C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@H]1O ZINC001231561442 942928326 /nfs/dbraw/zinc/92/83/26/942928326.db2.gz VCOHPHNWTQYGNB-GXFFZTMASA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@H]1O ZINC001231561442 942928328 /nfs/dbraw/zinc/92/83/28/942928328.db2.gz VCOHPHNWTQYGNB-GXFFZTMASA-N -1 3 279.336 1.683 20 10 CDCDHM Cc1cc([O-])c(CN2C[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001231868527 943036981 /nfs/dbraw/zinc/03/69/81/943036981.db2.gz VMYVTNVKQVPRAR-CMPLNLGQSA-N -1 3 259.708 1.869 20 10 CDCDHM CC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)[C@@H](C)C1 ZINC001232262440 943195343 /nfs/dbraw/zinc/19/53/43/943195343.db2.gz HSELYZSXBOXOBN-VIFPVBQESA-N -1 3 298.770 1.804 20 10 CDCDHM O=C1NC2(CO1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233335732 943548939 /nfs/dbraw/zinc/54/89/39/943548939.db2.gz ITUYMWHOTNRHKT-UHFFFAOYSA-N -1 3 298.289 1.745 20 10 CDCDHM C[C@H]1C(=O)NCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454503 943587739 /nfs/dbraw/zinc/58/77/39/943587739.db2.gz WXGVYCQEMYNKFK-QMMMGPOBSA-N -1 3 288.269 1.731 20 10 CDCDHM COc1cc([O-])c(CN2CCCN(C)C(=O)C2)c(Cl)c1 ZINC001236800651 944574580 /nfs/dbraw/zinc/57/45/80/944574580.db2.gz AQKOVHPKQCHNGX-UHFFFAOYSA-N -1 3 298.770 1.718 20 10 CDCDHM Cn1c(Cl)ncc1C(=O)NCc1c([O-])cccc1F ZINC001303875772 956129281 /nfs/dbraw/zinc/12/92/81/956129281.db2.gz OOWKYIQQJCRMCS-UHFFFAOYSA-N -1 3 283.690 1.848 20 10 CDCDHM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(F)c(F)cc1[O-] ZINC001308691329 956561965 /nfs/dbraw/zinc/56/19/65/956561965.db2.gz BQQZRDAOECFHET-BXGCZWRVSA-N -1 3 296.317 1.756 20 10 CDCDHM CC(C)CNC(=O)CN[C@H](C)c1c([O-])cccc1F ZINC001353352656 967919003 /nfs/dbraw/zinc/91/90/03/967919003.db2.gz ARWAALNWTHPOBK-SNVBAGLBSA-N -1 3 268.332 1.954 20 10 CDCDHM C[C@H](CCO)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592529933 978391879 /nfs/dbraw/zinc/39/18/79/978391879.db2.gz JDAPIYNAGOXPJI-NXEZZACHSA-N -1 3 267.325 1.760 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354414 994992062 /nfs/dbraw/zinc/99/20/62/994992062.db2.gz PJGLGWSBAYJMGP-XTWCZFFVSA-N -1 3 265.309 1.654 20 10 CDCDHM Cc1ccc(C[NH2+][C@](C)(Cn2cccn2)C(=O)[O-])c([O-])c1 ZINC001600419039 1126219000 /nfs/dbraw/zinc/21/90/00/1126219000.db2.gz IQSBQLMBTUEZOI-OAHLLOKOSA-N -1 3 289.335 1.530 20 10 CDCDHM O=C(/C=C/c1cncc([O-])c1)N1CCc2ccncc21 ZINC000492975586 366187311 /nfs/dbraw/zinc/18/73/11/366187311.db2.gz VILBJSICZSZFKS-OWOJBTEDSA-N -1 3 267.288 1.785 20 10 CDCDHM CN(Cc1cc(F)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179866365 357228348 /nfs/dbraw/zinc/22/83/48/357228348.db2.gz YNASPDCAQHADQE-LLVKDONJSA-N -1 3 273.329 1.150 20 10 CDCDHM C[C@H](NCc1cnnn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287167647 299324583 /nfs/dbraw/zinc/32/45/83/299324583.db2.gz BYWUIEYTZZIRON-QMMMGPOBSA-N -1 3 277.284 1.280 20 10 CDCDHM Cc1ccc([C@H](O)CNC(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000272777803 365394335 /nfs/dbraw/zinc/39/43/35/365394335.db2.gz UNQFNIGCSYXQKR-LLVKDONJSA-N -1 3 291.303 1.771 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCOC2)c([O-])c1O ZINC000272745690 365379187 /nfs/dbraw/zinc/37/91/87/365379187.db2.gz NALIIJSJVLAKFB-UWVGGRQHSA-N -1 3 265.309 1.561 20 10 CDCDHM Cc1nccn1CCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272877307 365428643 /nfs/dbraw/zinc/42/86/43/365428643.db2.gz XFKMYENKQFCSCG-UHFFFAOYSA-N -1 3 289.335 1.731 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](CCO)C(C)(C)C)c([O-])c1O ZINC000182981456 391247913 /nfs/dbraw/zinc/24/79/13/391247913.db2.gz HMQDBJLSRPTJJL-LLVKDONJSA-N -1 3 281.352 1.933 20 10 CDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](C)O ZINC000281884208 391418582 /nfs/dbraw/zinc/41/85/82/391418582.db2.gz DFKCCUPVQNYURY-SECBINFHSA-N -1 3 287.743 1.401 20 10 CDCDHM CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126186967 260346359 /nfs/dbraw/zinc/34/63/59/260346359.db2.gz YCESMGOACWTMJF-SNVBAGLBSA-N -1 3 293.319 1.513 20 10 CDCDHM COCCCN(CCOC)C(=O)c1cccc(O)c1[O-] ZINC000126328410 260350673 /nfs/dbraw/zinc/35/06/73/260350673.db2.gz JFBUIXCXKMLFLF-UHFFFAOYSA-N -1 3 283.324 1.223 20 10 CDCDHM CCC(CC)[C@@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000187087243 262378808 /nfs/dbraw/zinc/37/88/08/262378808.db2.gz JDJFRUSQSWESNH-LBPRGKRZSA-N -1 3 267.325 1.625 20 10 CDCDHM C[C@]1(CO)CN(Cc2c([O-])cccc2Cl)C[C@@]1(C)CO ZINC000529667972 281350962 /nfs/dbraw/zinc/35/09/62/281350962.db2.gz BWUFGIVDHDCZEL-GASCZTMLSA-N -1 3 299.798 1.858 20 10 CDCDHM Cc1ccc(C(=O)N2CC[S@](=O)C[C@@H](C)C2)c([O-])c1O ZINC000277706835 328222077 /nfs/dbraw/zinc/22/20/77/328222077.db2.gz WIZQNIPURYXVHU-LXGOIASLSA-N -1 3 297.376 1.247 20 10 CDCDHM CN(C[C@@H](O)C(F)(F)F)C(=O)c1cc([O-])cs1 ZINC000758481435 577110716 /nfs/dbraw/zinc/11/07/16/577110716.db2.gz SZFOWISPRDRMHM-SSDOTTSWSA-N -1 3 269.244 1.449 20 10 CDCDHM CCN(C)C(=O)CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000274792965 520172635 /nfs/dbraw/zinc/17/26/35/520172635.db2.gz OPJSQRKUMVBYDT-JTQLQIEISA-N -1 3 294.351 1.308 20 10 CDCDHM C[C@H]1OCC[C@@]12CN(C(=O)c1cccc(O)c1[O-])CCO2 ZINC000279853469 525042783 /nfs/dbraw/zinc/04/27/83/525042783.db2.gz FZPDKXRHXIAQJV-MEBBXXQBSA-N -1 3 293.319 1.118 20 10 CDCDHM O=C(NCCOCC1CC1)c1cccc(O)c1[O-] ZINC000229122056 526353048 /nfs/dbraw/zinc/35/30/48/526353048.db2.gz PUDNDESFUAQXJD-UHFFFAOYSA-N -1 3 251.282 1.254 20 10 CDCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccncc32)CC1 ZINC000728711315 574643213 /nfs/dbraw/zinc/64/32/13/574643213.db2.gz PBWRBISKENAUMZ-UHFFFAOYSA-N -1 3 292.360 1.171 20 10 CDCDHM O=C([O-])[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601640802 1174923027 /nfs/dbraw/zinc/92/30/27/1174923027.db2.gz FMQQAHHGDASHPN-RYUDHWBXSA-N -1 3 283.299 1.643 20 10 CDCDHM CCOC(=O)N[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000731871743 575067685 /nfs/dbraw/zinc/06/76/85/575067685.db2.gz LWNLNKLJWACRFO-VIFPVBQESA-N -1 3 298.364 1.804 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)NCc1ccccc1 ZINC000731910950 575070429 /nfs/dbraw/zinc/07/04/29/575070429.db2.gz XKZGXWOOLITIPQ-UHFFFAOYSA-N -1 3 291.328 1.927 20 10 CDCDHM C[C@@H]1CCCN(C(=O)COC(=O)c2cc([O-])cs2)C1 ZINC000731910226 575070460 /nfs/dbraw/zinc/07/04/60/575070460.db2.gz PFZYSHRTLHSOPD-SECBINFHSA-N -1 3 283.349 1.869 20 10 CDCDHM C[C@@H](Cn1cccn1)NC(=O)c1cc([O-])cs1 ZINC000732271334 575085301 /nfs/dbraw/zinc/08/53/01/575085301.db2.gz HCTLPQCQZXNEDG-QMMMGPOBSA-N -1 3 251.311 1.469 20 10 CDCDHM COCCCNC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732352697 575088101 /nfs/dbraw/zinc/08/81/01/575088101.db2.gz CGQAKGBNIBINIM-QMMMGPOBSA-N -1 3 287.337 1.152 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCCN(CC(F)F)CC1 ZINC000767153128 576163630 /nfs/dbraw/zinc/16/36/30/576163630.db2.gz MSABTZBMLFTVRS-UHFFFAOYSA-N -1 3 290.335 1.867 20 10 CDCDHM CCOc1ccc(CN2CCN3C(=O)OC[C@H]3C2)c([O-])c1 ZINC000769484086 576358172 /nfs/dbraw/zinc/35/81/72/576358172.db2.gz UHPQKCIMSXMLTM-GFCCVEGCSA-N -1 3 292.335 1.427 20 10 CDCDHM CCOC(=O)C1(CNC(=O)c2cc([O-])cs2)CCC1 ZINC000740933114 576524482 /nfs/dbraw/zinc/52/44/82/576524482.db2.gz UWYIMCUUZXTUMQ-UHFFFAOYSA-N -1 3 283.349 1.917 20 10 CDCDHM Cc1noc(CCCOC(=O)c2cc([O-])cs2)n1 ZINC000763973898 576769808 /nfs/dbraw/zinc/76/98/08/576769808.db2.gz VSSFDNXOFQIRSG-UHFFFAOYSA-N -1 3 268.294 1.935 20 10 CDCDHM CCC[C@@H](CCO)CNC(=O)c1cc([O-])cs1 ZINC000748377871 576909839 /nfs/dbraw/zinc/90/98/39/576909839.db2.gz YBOQQVDWNZKCIM-VIFPVBQESA-N -1 3 257.355 1.982 20 10 CDCDHM COc1ccc(O)c(CNC(=O)c2c([O-])cccc2O)c1 ZINC000756764119 577003254 /nfs/dbraw/zinc/00/32/54/577003254.db2.gz FPKNFSVICHTYKS-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM CN(Cc1c([O-])ccc2ccncc21)[C@H]1CCNC1=O ZINC000758406997 577105786 /nfs/dbraw/zinc/10/57/86/577105786.db2.gz JJEHRRUBIJBSBS-ZDUSSCGKSA-N -1 3 271.320 1.261 20 10 CDCDHM O=C([O-])C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000821511348 598098372 /nfs/dbraw/zinc/09/83/72/598098372.db2.gz INMRYLLNXANCLW-ZDUSSCGKSA-N -1 3 293.319 1.115 20 10 CDCDHM C[C@]1(CO)C[C@H](O)CN1Cc1c([O-])ccc(Cl)c1F ZINC000895328913 619567399 /nfs/dbraw/zinc/56/73/99/619567399.db2.gz HLPLKCCSVYVYDK-ISVAXAHUSA-N -1 3 289.734 1.502 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCc2ncncc2C1 ZINC000895722021 619814498 /nfs/dbraw/zinc/81/44/98/619814498.db2.gz BJDCCNUAVQCXDQ-UHFFFAOYSA-N -1 3 259.284 1.880 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898192441 621388439 /nfs/dbraw/zinc/38/84/39/621388439.db2.gz JFPNALVNFDEGQA-CMPLNLGQSA-N -1 3 259.708 1.950 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H]1C(F)(F)F ZINC000912084974 629762648 /nfs/dbraw/zinc/76/26/48/629762648.db2.gz MEAKVWCNJZCPRJ-SNVBAGLBSA-N -1 3 277.198 1.459 20 10 CDCDHM O=C(NCCCNc1ncccn1)c1cccc(O)c1[O-] ZINC000790543636 688285087 /nfs/dbraw/zinc/28/50/87/688285087.db2.gz QWHBGBDIXFZQFG-UHFFFAOYSA-N -1 3 288.307 1.120 20 10 CDCDHM C[C@@H]1CN=C(NC(=O)c2cccc(O)c2[O-])S1 ZINC000819782747 688365220 /nfs/dbraw/zinc/36/52/20/688365220.db2.gz QBPAEMAUYGGQGR-ZCFIWIBFSA-N -1 3 252.295 1.319 20 10 CDCDHM Cc1cnccc1CCNC(=O)c1cccc(O)c1[O-] ZINC000790902809 692128358 /nfs/dbraw/zinc/12/83/58/692128358.db2.gz RILPWXXJEOYLFK-UHFFFAOYSA-N -1 3 272.304 1.774 20 10 CDCDHM Cc1csc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000126316545 692239258 /nfs/dbraw/zinc/23/92/58/692239258.db2.gz CWJPOJWZELPALH-UHFFFAOYSA-N -1 3 264.306 1.793 20 10 CDCDHM O=C(Nc1ccnn1[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000888592761 692269920 /nfs/dbraw/zinc/26/99/20/692269920.db2.gz IFXNESRRDQUYCV-SECBINFHSA-N -1 3 289.291 1.508 20 10 CDCDHM C[C@H](O)CN(Cc1cc(F)ccc1[O-])CC(F)F ZINC000825099106 692366040 /nfs/dbraw/zinc/36/60/40/692366040.db2.gz UULRYZZKDWZNRC-QMMMGPOBSA-N -1 3 263.259 1.979 20 10 CDCDHM O=C(NC1(c2ncccn2)CCC1)c1cccc(O)c1[O-] ZINC000882001580 694816572 /nfs/dbraw/zinc/81/65/72/694816572.db2.gz QMFXAIIMEVCBOL-UHFFFAOYSA-N -1 3 285.303 1.697 20 10 CDCDHM CN1CCN(Cc2c([O-])cccc2Br)CC1=O ZINC000862246614 694830161 /nfs/dbraw/zinc/83/01/61/694830161.db2.gz SFESOJWQWCVOHF-UHFFFAOYSA-N -1 3 299.168 1.429 20 10 CDCDHM CC(C)c1ccc(O)c(CN2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001604002781 1175713274 /nfs/dbraw/zinc/71/32/74/1175713274.db2.gz NJZIEYYYIOPNKK-GJZGRUSLSA-N -1 3 293.363 1.926 20 10 CDCDHM C[C@@](O)(CNC(=O)c1cccc(O)c1[O-])c1ccsc1 ZINC000185769646 723481861 /nfs/dbraw/zinc/48/18/61/723481861.db2.gz CXEXEAFYSWLLEP-CQSZACIVSA-N -1 3 293.344 1.797 20 10 CDCDHM Cc1noc([C@@H](C)NC(=O)c2cccc(O)c2[O-])n1 ZINC000790597824 723632115 /nfs/dbraw/zinc/63/21/15/723632115.db2.gz GKWLTQACISQCKR-ZCFIWIBFSA-N -1 3 263.253 1.280 20 10 CDCDHM CCc1cnccc1CNC(=O)c1cccc(O)c1[O-] ZINC000790922537 723675068 /nfs/dbraw/zinc/67/50/68/723675068.db2.gz OZBHVSMCKMXVRM-UHFFFAOYSA-N -1 3 272.304 1.985 20 10 CDCDHM C[C@H]1CS(=O)(=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000179771727 899448195 /nfs/dbraw/zinc/44/81/95/899448195.db2.gz QVTRVTKOXVDAQM-VIFPVBQESA-N -1 3 289.784 1.665 20 10 CDCDHM NC(=O)C1CN(Cc2c([O-])cccc2Br)C1 ZINC001140101472 936679115 /nfs/dbraw/zinc/67/91/15/936679115.db2.gz UHBFFAHFTLGSOX-UHFFFAOYSA-N -1 3 285.141 1.072 20 10 CDCDHM Cc1ccc(C(=O)NO[C@@H](CO)C(C)C)c([O-])c1O ZINC000836895798 936810310 /nfs/dbraw/zinc/81/03/10/936810310.db2.gz XSJAKTMGCFRSRH-JTQLQIEISA-N -1 3 269.297 1.085 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN(c2ncncn2)CC1 ZINC001137841859 923281877 /nfs/dbraw/zinc/28/18/77/923281877.db2.gz XXGDMJFSIDYJQX-UHFFFAOYSA-N -1 3 289.314 1.039 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](O)[C@@H](F)CC1 ZINC001142508709 937025308 /nfs/dbraw/zinc/02/53/08/937025308.db2.gz IWKKYDOPSKWXKH-JOYOIKCWSA-N -1 3 275.270 1.965 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CNCc1nnc2n1CCC2 ZINC000882885885 930092807 /nfs/dbraw/zinc/09/28/07/930092807.db2.gz SJOMVQJUXBJVQW-UHFFFAOYSA-N -1 3 280.278 1.498 20 10 CDCDHM COc1c([O-])c(CN2CC3(C2)CCOC3)ccc1[N+](=O)[O-] ZINC000816668997 930344698 /nfs/dbraw/zinc/34/46/98/930344698.db2.gz DOAFCEZNUATPBQ-UHFFFAOYSA-N -1 3 294.307 1.531 20 10 CDCDHM CN1CCO[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001275775312 932018583 /nfs/dbraw/zinc/01/85/83/932018583.db2.gz YXZUDJVZPKFQFI-JSGCOSHPSA-N -1 3 284.306 1.185 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001148218477 932669831 /nfs/dbraw/zinc/66/98/31/932669831.db2.gz DWJMPZMNDIURCP-ZDUSSCGKSA-N -1 3 299.273 1.738 20 10 CDCDHM O=C(NCCOC(F)(F)F)c1cc(O)c([O-])c(O)c1 ZINC001148590223 932755045 /nfs/dbraw/zinc/75/50/45/932755045.db2.gz ZYCYAQXIWAURDI-UHFFFAOYSA-N -1 3 281.186 1.070 20 10 CDCDHM Cc1cc(=O)[nH]c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001162754155 939134272 /nfs/dbraw/zinc/13/42/72/939134272.db2.gz RPDOVGSPPALGNG-UHFFFAOYSA-N -1 3 260.249 1.759 20 10 CDCDHM NC(=O)[C@@H]1CCC2(CN(Cc3cc(Cl)ccc3[O-])C2)O1 ZINC001277458464 942630940 /nfs/dbraw/zinc/63/09/40/942630940.db2.gz RQOQOJLSKFZKSW-LBPRGKRZSA-N -1 3 296.754 1.264 20 10 CDCDHM O=C([O-])c1ccc(CN2CC(N3CCCC3)C2)c(O)c1 ZINC001231452460 942895626 /nfs/dbraw/zinc/89/56/26/942895626.db2.gz PKIJDXDNIHZDNO-UHFFFAOYSA-N -1 3 276.336 1.370 20 10 CDCDHM C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@]1(C)O ZINC001231560382 942925160 /nfs/dbraw/zinc/92/51/60/942925160.db2.gz IGCBURGKCZIRSD-ZUZCIYMTSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@]1(C)O ZINC001231560382 942925163 /nfs/dbraw/zinc/92/51/63/942925163.db2.gz IGCBURGKCZIRSD-ZUZCIYMTSA-N -1 3 279.336 1.683 20 10 CDCDHM COCC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231559458 942926380 /nfs/dbraw/zinc/92/63/80/942926380.db2.gz FFRUUKONAJNTDW-UHFFFAOYSA-N -1 3 279.336 1.949 20 10 CDCDHM CC(=O)N[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231564653 942931071 /nfs/dbraw/zinc/93/10/71/942931071.db2.gz VOFGRBKOLVQTJE-CYBMUJFWSA-N -1 3 292.335 1.191 20 10 CDCDHM COc1ccc2ccc([O-])c(CN3CCOC(=O)C3)c2c1 ZINC001234569751 943898810 /nfs/dbraw/zinc/89/88/10/943898810.db2.gz SFMHMADVKOYPOU-UHFFFAOYSA-N -1 3 287.315 1.913 20 10 CDCDHM COc1cncc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000700013164 944279125 /nfs/dbraw/zinc/27/91/25/944279125.db2.gz QJDKWXNMHYZPCK-UHFFFAOYSA-N -1 3 274.276 1.431 20 10 CDCDHM CCNC(=O)CN(C)Cc1c([O-])cc(OC)cc1Cl ZINC001236798274 944571922 /nfs/dbraw/zinc/57/19/22/944571922.db2.gz MQSGCNCIBILNEQ-UHFFFAOYSA-N -1 3 286.759 1.622 20 10 CDCDHM CC[C@@H](C[NH2+]Cc1c([O-])cccc1OC)C(=O)[O-] ZINC001589552157 955224312 /nfs/dbraw/zinc/22/43/12/955224312.db2.gz KVCDQBKECJHSON-VIFPVBQESA-N -1 3 253.298 1.601 20 10 CDCDHM C[C@H]([NH2+]CCOCC(=O)[O-])c1cc(F)ccc1[O-] ZINC001589128262 956177466 /nfs/dbraw/zinc/17/74/66/956177466.db2.gz MFEZFLTWSPSLDZ-QMMMGPOBSA-N -1 3 257.261 1.283 20 10 CDCDHM COC1CN(Cc2ccc(Br)cc2[O-])C1 ZINC001333908503 958687411 /nfs/dbraw/zinc/68/74/11/958687411.db2.gz OVCUMEHGYPNIDO-UHFFFAOYSA-N -1 3 272.142 1.985 20 10 CDCDHM CS(=O)(=O)CCN(Cc1cc(F)ccc1[O-])C1CC1 ZINC000180230975 357253369 /nfs/dbraw/zinc/25/33/69/357253369.db2.gz YTMBGILYNJLHPU-UHFFFAOYSA-N -1 3 287.356 1.540 20 10 CDCDHM CC[C@@H](C)[C@@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000185855221 357585270 /nfs/dbraw/zinc/58/52/70/357585270.db2.gz LHPIZKHRAALBJK-KCJUWKMLSA-N -1 3 253.298 1.235 20 10 CDCDHM CCCN1CCCN(Cc2cc(F)ccc2[O-])CC1=O ZINC000189200810 357982090 /nfs/dbraw/zinc/98/20/90/357982090.db2.gz HIIWUNQKEGDSNZ-UHFFFAOYSA-N -1 3 280.343 1.976 20 10 CDCDHM CCN(Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179557966 364992910 /nfs/dbraw/zinc/99/29/10/364992910.db2.gz YXBNCDSUVZSCET-GFCCVEGCSA-N -1 3 269.366 1.401 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@@H](C)C(=O)OC(C)C)c([O-])c1O ZINC000272705966 365359530 /nfs/dbraw/zinc/35/95/30/365359530.db2.gz CHJQPNIJBUNWMX-JTQLQIEISA-N -1 3 295.335 1.818 20 10 CDCDHM CCc1nn(C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000273068645 365469037 /nfs/dbraw/zinc/46/90/37/365469037.db2.gz ZPVPJCUVRQJKBW-UHFFFAOYSA-N -1 3 275.308 1.954 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](C)C2)c([O-])c1O ZINC000272962138 365460711 /nfs/dbraw/zinc/46/07/11/365460711.db2.gz JSUIOFLQRYRPSV-VHSXEESVSA-N -1 3 265.309 1.704 20 10 CDCDHM CON(CC1CCOCC1)C(=O)c1cccc(O)c1[O-] ZINC000282528335 367929003 /nfs/dbraw/zinc/92/90/03/367929003.db2.gz UTTPHPIZUIOGMU-UHFFFAOYSA-N -1 3 281.308 1.528 20 10 CDCDHM Cc1ccc(C(=O)NCCC(C)(C)CO)c([O-])c1O ZINC000296177628 378720157 /nfs/dbraw/zinc/72/01/57/378720157.db2.gz SPBBXYJJXXPATG-UHFFFAOYSA-N -1 3 267.325 1.545 20 10 CDCDHM C[C@@H]1CC(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000368132745 267146387 /nfs/dbraw/zinc/14/63/87/267146387.db2.gz GVNLUFMFACPWSU-SECBINFHSA-N -1 3 252.289 1.242 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@@H]2C)c1[O-] ZINC000106358992 277106004 /nfs/dbraw/zinc/10/60/04/277106004.db2.gz LGYVYSZBPDORRZ-QMMMGPOBSA-N -1 3 280.299 1.054 20 10 CDCDHM COC[C@H](CO)N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000290224393 293112578 /nfs/dbraw/zinc/11/25/78/293112578.db2.gz RCUZQCPEJZDFDE-YUMQZZPRSA-N -1 3 261.268 1.328 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCCO1 ZINC000279753094 525231073 /nfs/dbraw/zinc/23/10/73/525231073.db2.gz CRYOPRWEZOKMKU-CABZTGNLSA-N -1 3 265.309 1.785 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](c2ncon2)C(C)C)c([O-])c1O ZINC000286918718 526198664 /nfs/dbraw/zinc/19/86/64/526198664.db2.gz CPNOUQMVAHXRRN-SNVBAGLBSA-N -1 3 291.307 1.916 20 10 CDCDHM O=C(c1c(F)ccc(O)c1[O-])N1CCN(CC2CC2)CC1 ZINC000276664199 526577041 /nfs/dbraw/zinc/57/70/41/526577041.db2.gz YKCCTQMLBFNZNH-UHFFFAOYSA-N -1 3 294.326 1.405 20 10 CDCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccccc32)CC1 ZINC000103265428 527307279 /nfs/dbraw/zinc/30/72/79/527307279.db2.gz APXSSTZDAUWPFH-UHFFFAOYSA-N -1 3 291.372 1.776 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000291028444 527595376 /nfs/dbraw/zinc/59/53/76/527595376.db2.gz BCABOPHLYYMZBR-JTQLQIEISA-N -1 3 275.270 1.981 20 10 CDCDHM O=C(Nc1ccc(-n2cncn2)nc1)c1cc([O-])cs1 ZINC000732267538 575084869 /nfs/dbraw/zinc/08/48/69/575084869.db2.gz JVJVJOQFFISANX-UHFFFAOYSA-N -1 3 287.304 1.682 20 10 CDCDHM NC(=O)c1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732257571 575085986 /nfs/dbraw/zinc/08/59/86/575085986.db2.gz TUJBFVYIEGYQBE-UHFFFAOYSA-N -1 3 276.317 1.483 20 10 CDCDHM C[C@@H]1C[C@@H](CNC(=O)c2cc([O-])cs2)CCO1 ZINC000771416148 575578051 /nfs/dbraw/zinc/57/80/51/575578051.db2.gz LHLZSIIGPRLNKF-BDAKNGLRSA-N -1 3 255.339 1.999 20 10 CDCDHM CCOc1ccc(CN2CCCC[C@H]2C(=O)NC)c([O-])c1 ZINC000768346475 576273814 /nfs/dbraw/zinc/27/38/14/576273814.db2.gz OKHKYCTZRDMRRK-AWEZNQCLSA-N -1 3 292.379 1.891 20 10 CDCDHM COc1ccc(CNC(=O)c2ccc(C)c(O)c2[O-])nc1 ZINC000768850601 576313475 /nfs/dbraw/zinc/31/34/75/576313475.db2.gz HYKMKRAFXVQCRT-UHFFFAOYSA-N -1 3 288.303 1.740 20 10 CDCDHM O=C(NC1CC1)N[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000761222623 576561311 /nfs/dbraw/zinc/56/13/11/576561311.db2.gz KRTRTLPNMHMQRP-VIFPVBQESA-N -1 3 295.364 1.130 20 10 CDCDHM CSC[C@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000743716097 576652243 /nfs/dbraw/zinc/65/22/43/576652243.db2.gz WPNZFZAHRSSFAM-SNVBAGLBSA-N -1 3 261.368 1.298 20 10 CDCDHM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc([O-])cs1 ZINC000755329579 576940366 /nfs/dbraw/zinc/94/03/66/576940366.db2.gz VOECQLRRGIPSKY-SCZZXKLOSA-N -1 3 255.339 1.687 20 10 CDCDHM CC(C)NC(=O)CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756364866 576987265 /nfs/dbraw/zinc/98/72/65/576987265.db2.gz WJAQEFSYDJSHLT-QMMMGPOBSA-N -1 3 272.295 1.846 20 10 CDCDHM C[C@@H]1C[C@H](NCc2nncn2C)c2c1c(F)ccc2[O-] ZINC000756403363 576989307 /nfs/dbraw/zinc/98/93/07/576989307.db2.gz XZYVRLDTXHZZJC-SCZZXKLOSA-N -1 3 276.315 1.998 20 10 CDCDHM COCCO[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894529976 618943788 /nfs/dbraw/zinc/94/37/88/618943788.db2.gz BHCYEOKUXHVFGT-LBPRGKRZSA-N -1 3 287.306 1.908 20 10 CDCDHM C[C@H](N[C@@H](C)c1c([O-])cccc1F)C(=O)NCCF ZINC000886606640 695194466 /nfs/dbraw/zinc/19/44/66/695194466.db2.gz CMIWQQGQTYUWJP-IUCAKERBSA-N -1 3 272.295 1.656 20 10 CDCDHM C[C@@H]([NH2+]CCOCCF)c1cc(C(=O)[O-])ccc1[O-] ZINC001604341592 1163158870 /nfs/dbraw/zinc/15/88/70/1163158870.db2.gz QUKPMNYOBGGDHV-SECBINFHSA-N -1 3 271.288 1.727 20 10 CDCDHM C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604364593 1163164331 /nfs/dbraw/zinc/16/43/31/1163164331.db2.gz RXARYTIPDFRNKW-HGNGGELXSA-N -1 3 278.308 1.005 20 10 CDCDHM C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])N(C)C ZINC001589956846 1173212103 /nfs/dbraw/zinc/21/21/03/1173212103.db2.gz DQTHWYVJNBNNID-ZJUUUORDSA-N -1 3 290.371 1.173 20 10 CDCDHM C[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589954686 1173212145 /nfs/dbraw/zinc/21/21/45/1173212145.db2.gz INJPDAVAGZHMTG-KCJUWKMLSA-N -1 3 271.324 1.775 20 10 CDCDHM C[C@@H]([NH2+]Cc1ccnn1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603670391 1175592160 /nfs/dbraw/zinc/59/21/60/1175592160.db2.gz GSFSAERXCOBZBT-SECBINFHSA-N -1 3 299.338 1.157 20 10 CDCDHM CC(C)[C@@H](CO)CNC(=O)c1cccc(O)c1[O-] ZINC000394175931 724395967 /nfs/dbraw/zinc/39/59/67/724395967.db2.gz KMHFRJRVAVMJBH-SECBINFHSA-N -1 3 253.298 1.092 20 10 CDCDHM O=C(NC1(CO)CCSCC1)c1cccc(O)c1[O-] ZINC000838008815 724009882 /nfs/dbraw/zinc/00/98/82/724009882.db2.gz DTVXMSWGQXJSKA-UHFFFAOYSA-N -1 3 283.349 1.086 20 10 CDCDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@]1(CO)CCOC1 ZINC000862426309 725404227 /nfs/dbraw/zinc/40/42/27/725404227.db2.gz DKDIAMHAPQHYFQ-ZDUSSCGKSA-N -1 3 289.734 1.768 20 10 CDCDHM Cc1ccc(C[N@H+](CC(=O)[O-])C2CCOCC2)c([O-])c1 ZINC001607778441 1164293989 /nfs/dbraw/zinc/29/39/89/1164293989.db2.gz WRTVXIUSWJKIDD-UHFFFAOYSA-N -1 3 279.336 1.766 20 10 CDCDHM Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCOCC2)c([O-])c1 ZINC001607778441 1164293996 /nfs/dbraw/zinc/29/39/96/1164293996.db2.gz WRTVXIUSWJKIDD-UHFFFAOYSA-N -1 3 279.336 1.766 20 10 CDCDHM CCNC(=O)[C@@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000708446036 723896292 /nfs/dbraw/zinc/89/62/92/723896292.db2.gz ZALDSHQBYWDLDU-SSDOTTSWSA-N -1 3 258.268 1.285 20 10 CDCDHM O=C(NCCc1cccnc1)c1cccc(O)c1[O-] ZINC000126273249 724315561 /nfs/dbraw/zinc/31/55/61/724315561.db2.gz QSDULGXBFVUCSD-UHFFFAOYSA-N -1 3 258.277 1.465 20 10 CDCDHM O=C(NCCc1csc(=O)[nH]1)c1cccc(O)c1[O-] ZINC000807372911 725275482 /nfs/dbraw/zinc/27/54/82/725275482.db2.gz NQKANFHTBUHENV-UHFFFAOYSA-N -1 3 280.305 1.232 20 10 CDCDHM COc1ccccc1CONC(=O)c1cccc(O)c1[O-] ZINC000799096107 725312570 /nfs/dbraw/zinc/31/25/70/725312570.db2.gz ZBZUFDGKTJYJLY-UHFFFAOYSA-N -1 3 289.287 1.968 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CC(C)(C)OC1=O ZINC000817072169 725332535 /nfs/dbraw/zinc/33/25/35/725332535.db2.gz YSPXCXCNKLVYNX-VIFPVBQESA-N -1 3 279.292 1.264 20 10 CDCDHM O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1cccc(O)c1[O-] ZINC000834009091 725365805 /nfs/dbraw/zinc/36/58/05/725365805.db2.gz DSDUDSPQXCYKGA-GXTWGEPZSA-N -1 3 291.347 1.625 20 10 CDCDHM Cc1cc([O-])c(CNCc2nncn2C)cc1Cl ZINC000825102197 725378730 /nfs/dbraw/zinc/37/87/30/725378730.db2.gz KVNAYYIIDBOWJE-UHFFFAOYSA-N -1 3 266.732 1.772 20 10 CDCDHM CNC(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000186841010 725403222 /nfs/dbraw/zinc/40/32/22/725403222.db2.gz HQWFOKWWQDAKIR-UHFFFAOYSA-N -1 3 286.287 1.710 20 10 CDCDHM COC1([C@@H](C)NC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000817703313 725415848 /nfs/dbraw/zinc/41/58/48/725415848.db2.gz OGPZMBBPJCROPW-SNVBAGLBSA-N -1 3 295.335 1.412 20 10 CDCDHM O=C(CCO)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001179577455 915878079 /nfs/dbraw/zinc/87/80/79/915878079.db2.gz GZRKZIYOXGPSHP-UHFFFAOYSA-N -1 3 280.711 1.592 20 10 CDCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1(O)CC1 ZINC001181532256 917132518 /nfs/dbraw/zinc/13/25/18/917132518.db2.gz VJXUWAXCQJZPAE-UHFFFAOYSA-N -1 3 292.722 1.735 20 10 CDCDHM COC(=O)C1(O)CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138130559 936475321 /nfs/dbraw/zinc/47/53/21/936475321.db2.gz CQTQWGACELHEBN-UHFFFAOYSA-N -1 3 283.299 1.031 20 10 CDCDHM COC[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC001140060426 936675374 /nfs/dbraw/zinc/67/53/74/936675374.db2.gz VOGWQMNQBMZCSN-GFCCVEGCSA-N -1 3 255.289 1.379 20 10 CDCDHM COCCOC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140468354 936712987 /nfs/dbraw/zinc/71/29/87/936712987.db2.gz IAOZMNJDOWOJDL-UHFFFAOYSA-N -1 3 271.744 1.893 20 10 CDCDHM C[C@]1(CO)CCN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1O ZINC001142508728 937024900 /nfs/dbraw/zinc/02/49/00/937024900.db2.gz JOXZWIPFEXZZCC-UONOGXRCSA-N -1 3 287.306 1.236 20 10 CDCDHM COC(=O)[C@@H]1CN(C)CCN1Cc1cc(Cl)ccc1[O-] ZINC001203664484 939700527 /nfs/dbraw/zinc/70/05/27/939700527.db2.gz GSPJRTDKSKIGAF-LBPRGKRZSA-N -1 3 298.770 1.335 20 10 CDCDHM CN(C)C(=O)[C@@H]1CC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001277456893 942623054 /nfs/dbraw/zinc/62/30/54/942623054.db2.gz DDSBUNUOLQFFCU-LBPRGKRZSA-N -1 3 294.782 1.956 20 10 CDCDHM CC1(C(N)=O)CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452330 942895810 /nfs/dbraw/zinc/89/58/10/942895810.db2.gz LTZCWLNWNHPCEC-UHFFFAOYSA-N -1 3 292.335 1.178 20 10 CDCDHM COC(=O)CCN(C)Cc1c([O-])ccc(F)c1F ZINC001233335741 943548330 /nfs/dbraw/zinc/54/83/30/943548330.db2.gz JKHNPXHLUXAQGL-UHFFFAOYSA-N -1 3 259.252 1.665 20 10 CDCDHM COc1nscc1NC(=O)c1cccc(O)c1[O-] ZINC001303231207 956069969 /nfs/dbraw/zinc/06/99/69/956069969.db2.gz HBSZXGJQKSQCLE-UHFFFAOYSA-N -1 3 266.278 1.815 20 10 CDCDHM COCC[N@H+](CCC(=O)[O-])Cc1c(C)cc(OC)cc1[O-] ZINC001594011099 956992390 /nfs/dbraw/zinc/99/23/90/956992390.db2.gz IFGIBZYOTBJNSU-UHFFFAOYSA-N -1 3 297.351 1.632 20 10 CDCDHM COCC[N@@H+](CCC(=O)[O-])Cc1c(C)cc(OC)cc1[O-] ZINC001594011099 956992394 /nfs/dbraw/zinc/99/23/94/956992394.db2.gz IFGIBZYOTBJNSU-UHFFFAOYSA-N -1 3 297.351 1.632 20 10 CDCDHM CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605005315 1163412502 /nfs/dbraw/zinc/41/25/02/1163412502.db2.gz GMKMCCCSFZLUIB-BBBLOLIVSA-N -1 3 291.355 1.646 20 10 CDCDHM COCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605080200 1163445062 /nfs/dbraw/zinc/44/50/62/1163445062.db2.gz WSYWFGLONDFYSQ-NXEZZACHSA-N -1 3 291.355 1.648 20 10 CDCDHM COc1cc(C)c(C[NH2+]C[C@]2(C(=O)[O-])CCOC2)c([O-])c1 ZINC001599391228 997039850 /nfs/dbraw/zinc/03/98/50/997039850.db2.gz MBYZSFXQNDOIAZ-OAHLLOKOSA-N -1 3 295.335 1.290 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](O)CC1 ZINC000294255261 362106696 /nfs/dbraw/zinc/10/66/96/362106696.db2.gz BNGCYIWMAALSDN-VIFPVBQESA-N -1 3 251.282 1.085 20 10 CDCDHM CCOC(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179868850 365000622 /nfs/dbraw/zinc/00/06/22/365000622.db2.gz BPTDYZLZMNDGSO-UHFFFAOYSA-N -1 3 282.315 1.805 20 10 CDCDHM CC[C@](C)(NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000272740398 365375907 /nfs/dbraw/zinc/37/59/07/365375907.db2.gz IIVPBUNIIFVNTE-AWEZNQCLSA-N -1 3 281.308 1.478 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@@H]1O ZINC000273028078 365464550 /nfs/dbraw/zinc/46/45/50/365464550.db2.gz SHLHDYLBYRWLSQ-KOLCDFICSA-N -1 3 265.309 1.249 20 10 CDCDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000273526916 365503982 /nfs/dbraw/zinc/50/39/82/365503982.db2.gz VKPHFRXHCYTQDC-TVQRCGJNSA-N -1 3 279.315 1.649 20 10 CDCDHM CCC[C@]1(C)C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000275849285 284039662 /nfs/dbraw/zinc/03/96/62/284039662.db2.gz KYGRWYWPEZGGQR-OAHLLOKOSA-N -1 3 292.335 1.229 20 10 CDCDHM C[C@H](O)CN1CCN(Cc2cc(F)ccc2[O-])[C@H](C)C1 ZINC000284278510 368509738 /nfs/dbraw/zinc/50/97/38/368509738.db2.gz HKNBGAHIQMJJRL-NEPJUHHUSA-N -1 3 282.359 1.418 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)[S@]1=O ZINC000287211158 369123581 /nfs/dbraw/zinc/12/35/81/369123581.db2.gz IITIWSCIFICKPH-ODXZIHIVSA-N -1 3 297.376 1.469 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2O)c([O-])c1O ZINC000288228753 369420964 /nfs/dbraw/zinc/42/09/64/369420964.db2.gz DDRVOAMTEIFBDZ-GHMZBOCLSA-N -1 3 265.309 1.392 20 10 CDCDHM CCOCCOC1CN(Cc2ccccc2[O-])C1 ZINC000297737180 372017934 /nfs/dbraw/zinc/01/79/34/372017934.db2.gz SUTOJBAYXOUAGO-UHFFFAOYSA-N -1 3 251.326 1.630 20 10 CDCDHM O=C1CO[C@H]2CCN(Cc3cc(Cl)ccc3[O-])C[C@@H]2N1 ZINC000366771118 374130873 /nfs/dbraw/zinc/13/08/73/374130873.db2.gz JYNINJNWHQCRDF-AAEUAGOBSA-N -1 3 296.754 1.135 20 10 CDCDHM CN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1[O-] ZINC000109773363 390648104 /nfs/dbraw/zinc/64/81/04/390648104.db2.gz JBVXMGVCTNQPAK-UHFFFAOYSA-N -1 3 293.367 1.448 20 10 CDCDHM CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000139743899 390944329 /nfs/dbraw/zinc/94/43/29/390944329.db2.gz YWWUIBIVZKOVBV-UHFFFAOYSA-N -1 3 285.185 1.902 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)c2ncon2)c([O-])c1O ZINC000182957452 391248548 /nfs/dbraw/zinc/24/85/48/391248548.db2.gz ARGFCSCEZJQMKL-ZETCQYMHSA-N -1 3 263.253 1.280 20 10 CDCDHM Cc1ccc(C(=O)NN2CCCCC2=O)c([O-])c1O ZINC000271338542 391293605 /nfs/dbraw/zinc/29/36/05/391293605.db2.gz ZWMNRSFVJHGJNH-UHFFFAOYSA-N -1 3 264.281 1.064 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276145050 285576860 /nfs/dbraw/zinc/57/68/60/285576860.db2.gz CXVJVJNPRVKORC-SFYZADRCSA-N -1 3 272.295 1.846 20 10 CDCDHM Cc1ccc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c([O-])c1O ZINC000272765319 292059167 /nfs/dbraw/zinc/05/91/67/292059167.db2.gz LZUQCGIKELVVCV-NWDGAFQWSA-N -1 3 277.320 1.800 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H]2CCC[C@@H]21 ZINC000126348510 260350717 /nfs/dbraw/zinc/35/07/17/260350717.db2.gz MJTRGACPORYLIW-JQWIXIFHSA-N -1 3 263.293 1.491 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)N1C ZINC000126952345 260360067 /nfs/dbraw/zinc/36/00/67/260360067.db2.gz SAYHIDZFMPEJAH-AOOOYVTPSA-N -1 3 264.325 1.262 20 10 CDCDHM CC(C)C[C@@H](CCO)CNC(=O)c1cccc(O)c1[O-] ZINC000187160040 262126512 /nfs/dbraw/zinc/12/65/12/262126512.db2.gz MFJDAQDOBOGLII-LLVKDONJSA-N -1 3 281.352 1.872 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]12CCOC2=O ZINC000368454974 267173554 /nfs/dbraw/zinc/17/35/54/267173554.db2.gz MXNKEHZLUWKFHN-AWEZNQCLSA-N -1 3 277.276 1.020 20 10 CDCDHM CN1CCN(C(=O)/C=C/c2cncc([O-])c2)c2cccnc21 ZINC000492517492 332401158 /nfs/dbraw/zinc/40/11/58/332401158.db2.gz FEANYDYXDGAZGY-SNAWJCMRSA-N -1 3 296.330 1.678 20 10 CDCDHM COC(=O)C1(CNC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000275285217 522829430 /nfs/dbraw/zinc/82/94/30/522829430.db2.gz NROVWPOZBJGWIU-UHFFFAOYSA-N -1 3 279.292 1.089 20 10 CDCDHM COCCN(CCO)Cc1c([O-])cccc1Cl ZINC000130892240 523706848 /nfs/dbraw/zinc/70/68/48/523706848.db2.gz HJZQJDBZDPZUCS-UHFFFAOYSA-N -1 3 259.733 1.486 20 10 CDCDHM C[C@H]1CS(=O)(=O)C[C@H]1NCc1cccc(Cl)c1[O-] ZINC000290257250 524750413 /nfs/dbraw/zinc/75/04/13/524750413.db2.gz WGRZYDOCUWWCIF-GZMMTYOYSA-N -1 3 289.784 1.568 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c([O-])c1O ZINC000190590317 526204861 /nfs/dbraw/zinc/20/48/61/526204861.db2.gz IXEQGFHEWLUUFR-NXEZZACHSA-N -1 3 265.309 1.295 20 10 CDCDHM O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([O-])cs1 ZINC000732278167 575086016 /nfs/dbraw/zinc/08/60/16/575086016.db2.gz VFRHVWBOJXSHLH-MRVPVSSYSA-N -1 3 252.339 1.420 20 10 CDCDHM CN(Cc1nccn1C)C(=O)c1cc([O-])cs1 ZINC000734178407 575160362 /nfs/dbraw/zinc/16/03/62/575160362.db2.gz SJQSIDTWZSULBS-UHFFFAOYSA-N -1 3 251.311 1.459 20 10 CDCDHM CC(=O)N1CCC(COC(=O)c2cc([O-])cs2)CC1 ZINC000734896872 575400862 /nfs/dbraw/zinc/40/08/62/575400862.db2.gz SOYAXQWEQJRYFT-UHFFFAOYSA-N -1 3 283.349 1.869 20 10 CDCDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc([O-])cs1 ZINC000736710370 575726508 /nfs/dbraw/zinc/72/65/08/575726508.db2.gz OUELCSHLJOURLV-HTQZYQBOSA-N -1 3 289.378 1.101 20 10 CDCDHM CCOCCN1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000768243287 576266446 /nfs/dbraw/zinc/26/64/46/576266446.db2.gz JVHSJBQBHVSZBC-UHFFFAOYSA-N -1 3 294.395 1.555 20 10 CDCDHM C[C@H]1C[C@@H](NCc2nncn2C)c2c1c(F)ccc2[O-] ZINC000756403369 576989164 /nfs/dbraw/zinc/98/91/64/576989164.db2.gz XZYVRLDTXHZZJC-WCBMZHEXSA-N -1 3 276.315 1.998 20 10 CDCDHM O=C(NCCCO[C@H]1CCOC1)c1cc([O-])cs1 ZINC000757422840 577039900 /nfs/dbraw/zinc/03/99/00/577039900.db2.gz BHVWRVKTZHBKAB-JTQLQIEISA-N -1 3 271.338 1.379 20 10 CDCDHM COC(=O)[C@@H](CC1CC1)NCc1cc(F)ccc1[O-] ZINC000840956838 617798366 /nfs/dbraw/zinc/79/83/66/617798366.db2.gz FQVMVPORTGSIRM-GFCCVEGCSA-N -1 3 267.300 1.963 20 10 CDCDHM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(F)cc(F)c1[O-] ZINC000894536532 618954688 /nfs/dbraw/zinc/95/46/88/618954688.db2.gz AFIPUCDRUGJVKE-WLTAIBSBSA-N -1 3 296.317 1.756 20 10 CDCDHM CCN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCNC1=O ZINC000894664708 619007982 /nfs/dbraw/zinc/00/79/82/619007982.db2.gz YZPWOZPALBWHHL-NSHDSACASA-N -1 3 270.279 1.381 20 10 CDCDHM CCOC(=O)[C@H]1CSCN1C(=O)c1cccc(O)c1[O-] ZINC000907903039 627893826 /nfs/dbraw/zinc/89/38/26/627893826.db2.gz QRMYHCKIJMJXMT-SECBINFHSA-N -1 3 297.332 1.176 20 10 CDCDHM C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(C(=O)[O-])ccc1[O-] ZINC001604333477 1163154582 /nfs/dbraw/zinc/15/45/82/1163154582.db2.gz WHOCVPOIXXGBSA-JTQLQIEISA-N -1 3 297.351 1.529 20 10 CDCDHM Cc1cc(C)c(O)c(CN2CCOC[C@H]2CC(=O)[O-])c1 ZINC001607620818 1164244277 /nfs/dbraw/zinc/24/42/77/1164244277.db2.gz JPGQHYWTSXADEY-CYBMUJFWSA-N -1 3 279.336 1.685 20 10 CDCDHM Nc1cccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001580455693 1172440474 /nfs/dbraw/zinc/44/04/74/1172440474.db2.gz VKQFOOXZTDRKSL-UHFFFAOYSA-N -1 3 261.256 1.439 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589973226 1173219814 /nfs/dbraw/zinc/21/98/14/1173219814.db2.gz DVBYDKQENFLRAE-NXEZZACHSA-N -1 3 289.339 1.402 20 10 CDCDHM O=C([O-])[C@@H](CC1CCOCC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601643372 1174925383 /nfs/dbraw/zinc/92/53/83/1174925383.db2.gz OERVARIFYUYZIN-CYBMUJFWSA-N -1 3 297.326 1.891 20 10 CDCDHM CCCN(CC(N)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000816616619 726100545 /nfs/dbraw/zinc/10/05/45/726100545.db2.gz BHORCZKBAKVWOX-UHFFFAOYSA-N -1 3 274.723 1.882 20 10 CDCDHM COC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790876722 726100623 /nfs/dbraw/zinc/10/06/23/726100623.db2.gz ZXGWIKNJDLPFNQ-JTQLQIEISA-N -1 3 279.292 1.169 20 10 CDCDHM CC(C)C[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000230004067 726229273 /nfs/dbraw/zinc/22/92/73/726229273.db2.gz WTWCRUOHYPXZPY-VIFPVBQESA-N -1 3 253.298 1.235 20 10 CDCDHM CN(CCNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000186803202 726244771 /nfs/dbraw/zinc/24/47/71/726244771.db2.gz IGKKTBUIHVHPMI-UHFFFAOYSA-N -1 3 286.331 1.964 20 10 CDCDHM Cn1nncc1CNCc1cc(Cl)cc(F)c1[O-] ZINC000809783848 726278247 /nfs/dbraw/zinc/27/82/47/726278247.db2.gz NFJQUNFNUAOQLG-UHFFFAOYSA-N -1 3 270.695 1.603 20 10 CDCDHM CCNC(=O)C(C)(C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000835073519 726807967 /nfs/dbraw/zinc/80/79/67/726807967.db2.gz CDRLGQGSAXTPEW-UHFFFAOYSA-N -1 3 281.312 1.305 20 10 CDCDHM CC[C@H](C)C[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000844032636 726867345 /nfs/dbraw/zinc/86/73/45/726867345.db2.gz GKPXRDSBCBHGSF-VHSXEESVSA-N -1 3 267.325 1.625 20 10 CDCDHM CC(C)(C)n1nnc(CNCc2cc(F)ccc2[O-])n1 ZINC000848923350 726939619 /nfs/dbraw/zinc/93/96/19/726939619.db2.gz KBTPLIJRCMGPMK-UHFFFAOYSA-N -1 3 279.319 1.563 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000131704538 727117240 /nfs/dbraw/zinc/11/72/40/727117240.db2.gz RSFPLXTYWLCNJE-LBPRGKRZSA-N -1 3 285.727 1.419 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](CO)O1 ZINC000249509479 727336833 /nfs/dbraw/zinc/33/68/33/727336833.db2.gz ZKWDGRYFFMKPII-CABZTGNLSA-N -1 3 255.289 1.113 20 10 CDCDHM COC(=O)[C@H]1C[C@@H](O)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000843434100 727385052 /nfs/dbraw/zinc/38/50/52/727385052.db2.gz HPJNXJDGEWEWJP-WDEREUQCSA-N -1 3 299.754 1.401 20 10 CDCDHM O=C(NCCc1cscn1)c1cccc(O)c1[O-] ZINC000126421212 727462903 /nfs/dbraw/zinc/46/29/03/727462903.db2.gz VCXAGMXNSYLUDZ-UHFFFAOYSA-N -1 3 264.306 1.527 20 10 CDCDHM COCC1(N(C)C(=O)c2cccc(O)c2[O-])CC1 ZINC000706365916 727825152 /nfs/dbraw/zinc/82/51/52/727825152.db2.gz RVPVUAHZMHUTSK-UHFFFAOYSA-N -1 3 251.282 1.349 20 10 CDCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CN1C1CC1 ZINC000790943624 727873627 /nfs/dbraw/zinc/87/36/27/727873627.db2.gz VIHQEZUWJBWUJA-UHFFFAOYSA-N -1 3 266.728 1.810 20 10 CDCDHM CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610142701 1165234090 /nfs/dbraw/zinc/23/40/90/1165234090.db2.gz QNXASGYXMHASPR-SECBINFHSA-N -1 3 294.351 1.513 20 10 CDCDHM COC(=O)[C@@]1(C)COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203665264 920590000 /nfs/dbraw/zinc/59/00/00/920590000.db2.gz FFAKUPUHGOKCOQ-CQSZACIVSA-N -1 3 299.754 1.810 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CC(N2CC(F)C2)C1 ZINC001140058213 936674810 /nfs/dbraw/zinc/67/48/10/936674810.db2.gz UZOSJJQDVJEEEO-UHFFFAOYSA-N -1 3 254.280 1.369 20 10 CDCDHM CCN1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142502703 937023294 /nfs/dbraw/zinc/02/32/94/937023294.db2.gz UWAYCDKYJAGNHJ-UHFFFAOYSA-N -1 3 256.296 1.808 20 10 CDCDHM Cc1ccc(C(=O)Nc2cc(C(N)=O)n(C)c2)c([O-])c1O ZINC000780971329 937208616 /nfs/dbraw/zinc/20/86/16/937208616.db2.gz UPPHEECYSYJRJC-UHFFFAOYSA-N -1 3 289.291 1.096 20 10 CDCDHM C[C@H]1CN(Cc2ccc3ccccc3c2[O-])CC(=O)N1 ZINC000824909037 931484861 /nfs/dbraw/zinc/48/48/61/931484861.db2.gz HUPORUDJZPXTAR-NSHDSACASA-N -1 3 270.332 1.866 20 10 CDCDHM COC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1[O-] ZINC001148218465 932670586 /nfs/dbraw/zinc/67/05/86/932670586.db2.gz DNGHMKRTXOWEHT-ZACCUICWSA-N -1 3 277.320 1.880 20 10 CDCDHM COC(CCCNC(=O)c1cccc(O)c1[O-])OC ZINC001148224132 932672263 /nfs/dbraw/zinc/67/22/63/932672263.db2.gz DAOLEMZHGNBVKJ-UHFFFAOYSA-N -1 3 269.297 1.227 20 10 CDCDHM N=C(NC(=O)c1cccc(O)c1[O-])n1nnc2ccccc21 ZINC001148225571 932673664 /nfs/dbraw/zinc/67/36/64/932673664.db2.gz PWLBKNLUUVWDLB-UHFFFAOYSA-N -1 3 297.274 1.055 20 10 CDCDHM O=C(Nc1cnn2c1OCCC2)c1cc(O)c([O-])c(O)c1 ZINC001148583244 932751532 /nfs/dbraw/zinc/75/15/32/932751532.db2.gz VFGVDOZKSMLUEG-UHFFFAOYSA-N -1 3 291.263 1.035 20 10 CDCDHM CN(Cc1cncs1)C(=O)c1cccc(O)c1[O-] ZINC000400372184 939504423 /nfs/dbraw/zinc/50/44/23/939504423.db2.gz SXAKTWMLTVIEIP-UHFFFAOYSA-N -1 3 264.306 1.827 20 10 CDCDHM COC(=O)[C@H]1CN(C)CCN1Cc1cc(Cl)ccc1[O-] ZINC001203664483 939700634 /nfs/dbraw/zinc/70/06/34/939700634.db2.gz GSPJRTDKSKIGAF-GFCCVEGCSA-N -1 3 298.770 1.335 20 10 CDCDHM O=C([O-])c1ccc(C[NH+]2CCSCC2)c([O-])c1 ZINC001231448898 942894208 /nfs/dbraw/zinc/89/42/08/942894208.db2.gz DWUAABMCEHWPSF-UHFFFAOYSA-N -1 3 253.323 1.639 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001231566305 942931986 /nfs/dbraw/zinc/93/19/86/942931986.db2.gz XCTUTFYXJIIBNS-FZMZJTMJSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001231566305 942931988 /nfs/dbraw/zinc/93/19/88/942931988.db2.gz XCTUTFYXJIIBNS-FZMZJTMJSA-N -1 3 277.320 1.701 20 10 CDCDHM CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566078 942933188 /nfs/dbraw/zinc/93/31/88/942933188.db2.gz PKMCPLQHISBDJR-ZDUSSCGKSA-N -1 3 279.336 1.826 20 10 CDCDHM CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566078 942933191 /nfs/dbraw/zinc/93/31/91/942933191.db2.gz PKMCPLQHISBDJR-ZDUSSCGKSA-N -1 3 279.336 1.826 20 10 CDCDHM C[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCO1 ZINC001232258580 943191162 /nfs/dbraw/zinc/19/11/62/943191162.db2.gz ATQOINMVVJKUPN-QMMMGPOBSA-N -1 3 257.717 1.972 20 10 CDCDHM COc1cc([O-])c(CN2CC(CO)C2)c(Cl)c1 ZINC001236801118 944573643 /nfs/dbraw/zinc/57/36/43/944573643.db2.gz ZBWMSYFJNSRZSK-UHFFFAOYSA-N -1 3 257.717 1.478 20 10 CDCDHM [O-]c1c(O)c(O)ccc1-c1nnc([C@H]2CCOC2)o1 ZINC001255509359 947958622 /nfs/dbraw/zinc/95/86/22/947958622.db2.gz DLEOBJNEJHNONH-LURJTMIESA-N -1 3 264.237 1.357 20 10 CDCDHM CN(C)C1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000382760212 971832161 /nfs/dbraw/zinc/83/21/61/971832161.db2.gz QRSLDPXUSWQIMF-GQCTYLIASA-N -1 3 291.307 1.443 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2NC(=O)C[C@H]2C)c1[O-] ZINC001307825727 956444605 /nfs/dbraw/zinc/44/46/05/956444605.db2.gz BJSNRDWQJGUBDO-SSDOTTSWSA-N -1 3 266.272 1.359 20 10 CDCDHM CON(C)C(=O)[C@@H](C)NCc1cc(F)c(F)cc1[O-] ZINC001308886872 956597250 /nfs/dbraw/zinc/59/72/50/956597250.db2.gz RJTKVWMQIGYWMS-SSDOTTSWSA-N -1 3 274.267 1.168 20 10 CDCDHM CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245925 994442812 /nfs/dbraw/zinc/44/28/12/994442812.db2.gz DXEUUICVUWUMAI-ZANVPECISA-N -1 3 267.325 1.758 20 10 CDCDHM C[C@H](NCC(=O)NCC(F)F)c1ccc(F)c(F)c1[O-] ZINC000280181535 299275753 /nfs/dbraw/zinc/27/57/53/299275753.db2.gz AFTHTDCMROHIIE-LURJTMIESA-N -1 3 294.248 1.702 20 10 CDCDHM C[C@H]1CN(Cc2ccccc2[O-])CC[S@@](=O)C1 ZINC000277311889 366400800 /nfs/dbraw/zinc/40/08/00/366400800.db2.gz BPGZPGCGYWZMOT-APPDUMDISA-N -1 3 253.367 1.593 20 10 CDCDHM CNC(=O)[C@@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000179934320 365002789 /nfs/dbraw/zinc/00/27/89/365002789.db2.gz AELLXESHPYTOTE-LBPRGKRZSA-N -1 3 266.316 1.632 20 10 CDCDHM CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272739109 365374648 /nfs/dbraw/zinc/37/46/48/365374648.db2.gz LRUSQWNQMLMNMG-PSASIEDQSA-N -1 3 285.365 1.248 20 10 CDCDHM CC(C)S(=O)(=O)CCNCc1cccc(Cl)c1[O-] ZINC000290222509 367048510 /nfs/dbraw/zinc/04/85/10/367048510.db2.gz RWZWIUWHLJRSKM-UHFFFAOYSA-N -1 3 291.800 1.958 20 10 CDCDHM CS(=O)(=O)[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000282674055 367985567 /nfs/dbraw/zinc/98/55/67/367985567.db2.gz HTQDQZWDUQOFQC-SECBINFHSA-N -1 3 289.784 1.665 20 10 CDCDHM Cc1cc(C)c([C@@H](C)NCc2ncn(C)n2)c([O-])c1 ZINC000294827931 371094904 /nfs/dbraw/zinc/09/49/04/371094904.db2.gz QUUBWYFFSOEHFP-LLVKDONJSA-N -1 3 260.341 1.988 20 10 CDCDHM O=C(NCC1CC(F)(F)C1)c1cccc(O)c1[O-] ZINC000293564863 371341063 /nfs/dbraw/zinc/34/10/63/371341063.db2.gz DOVYPPDOBZGJGO-UHFFFAOYSA-N -1 3 257.236 1.873 20 10 CDCDHM CCC(CC)(CO)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182896219 391247016 /nfs/dbraw/zinc/24/70/16/391247016.db2.gz JQDOEEAVVOKPPU-UHFFFAOYSA-N -1 3 281.352 1.935 20 10 CDCDHM CCOc1ccc([O-])c([C@@H]2NC(=O)[C@H]3CSCCN23)c1 ZINC000270815695 286563764 /nfs/dbraw/zinc/56/37/64/286563764.db2.gz QVAKDRYTNWTNNO-DGCLKSJQSA-N -1 3 294.376 1.337 20 10 CDCDHM CCOc1cccc(C[NH2+]CCCC(=O)[O-])c1[O-] ZINC000037418279 173195564 /nfs/dbraw/zinc/19/55/64/173195564.db2.gz ABQHPMNUNMWFBV-UHFFFAOYSA-N -1 3 253.298 1.745 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CC1)OCCO2 ZINC000126168739 260345998 /nfs/dbraw/zinc/34/59/98/260345998.db2.gz FEJZJIPUIVECBU-UHFFFAOYSA-N -1 3 279.292 1.077 20 10 CDCDHM CN(CC(=O)N1CCOCC1)Cc1c([O-])cccc1Cl ZINC000162348440 261278224 /nfs/dbraw/zinc/27/82/24/261278224.db2.gz WVQMMIWDSOUXOJ-UHFFFAOYSA-N -1 3 298.770 1.336 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c([O-])c1O ZINC000182841400 329245328 /nfs/dbraw/zinc/24/53/28/329245328.db2.gz SMGFYVXQNSNZBI-ZIAGYGMSSA-N -1 3 299.326 1.794 20 10 CDCDHM CC(C)S(=O)(=O)CCNCc1c([O-])cccc1Cl ZINC000290107856 519787029 /nfs/dbraw/zinc/78/70/29/519787029.db2.gz HZFCTLVTRCOXGX-UHFFFAOYSA-N -1 3 291.800 1.958 20 10 CDCDHM C[C@H]1CSCCN1C(=O)c1cccc(O)c1[O-] ZINC000126428746 524756839 /nfs/dbraw/zinc/75/68/39/524756839.db2.gz IZRISSNFYDAIJX-QMMMGPOBSA-N -1 3 253.323 1.675 20 10 CDCDHM C[C@@H](C[S@@](C)=O)N(C)Cc1cc(F)ccc1[O-] ZINC000130872136 524865731 /nfs/dbraw/zinc/86/57/31/524865731.db2.gz SDDNZXWSWPBPCH-XYZCENFISA-N -1 3 259.346 1.730 20 10 CDCDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CO)C2)c([O-])c1O ZINC000276840846 526136215 /nfs/dbraw/zinc/13/62/15/526136215.db2.gz MPDSIULRLGDEGJ-ZJUUUORDSA-N -1 3 265.309 1.107 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC2(CCOCC2)C1 ZINC000279992123 526772130 /nfs/dbraw/zinc/77/21/30/526772130.db2.gz UDZIHKHNZADTNO-UHFFFAOYSA-N -1 3 293.319 1.119 20 10 CDCDHM Cc1nccn1CCCNC(=O)c1cccc(O)c1[O-] ZINC000280246602 527421128 /nfs/dbraw/zinc/42/11/28/527421128.db2.gz SILKXWJFUCFBHZ-UHFFFAOYSA-N -1 3 275.308 1.423 20 10 CDCDHM COc1ccc([C@@H](O)CNC(=O)c2cc([O-])cs2)cc1 ZINC000731869101 575068899 /nfs/dbraw/zinc/06/88/99/575068899.db2.gz LSVGVVXSOIULCM-LBPRGKRZSA-N -1 3 293.344 1.926 20 10 CDCDHM O=C(NCCCN1CCCCCC1=O)c1cc([O-])cs1 ZINC000732265391 575084636 /nfs/dbraw/zinc/08/46/36/575084636.db2.gz XAUKTRZAEOAALT-UHFFFAOYSA-N -1 3 296.392 1.976 20 10 CDCDHM Cc1nc2n(n1)C[C@@H](NC(=O)c1cc([O-])cs1)CC2 ZINC000732283856 575086729 /nfs/dbraw/zinc/08/67/29/575086729.db2.gz CQYHPKXUPNPJIG-QMMMGPOBSA-N -1 3 278.337 1.098 20 10 CDCDHM CCOc1ccc(CN(C)[C@H]2CCNC2=O)c([O-])c1 ZINC000770384351 575443862 /nfs/dbraw/zinc/44/38/62/575443862.db2.gz XNQAYNGIZQMKGO-LBPRGKRZSA-N -1 3 264.325 1.111 20 10 CDCDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cc([O-])cs1 ZINC000736725616 575729735 /nfs/dbraw/zinc/72/97/35/575729735.db2.gz WLEQXDNTBKOBER-GMJGCRJXSA-N -1 3 273.379 1.435 20 10 CDCDHM CC[C@H](C[C@@H](C)CO)NC(=O)c1cc([O-])cs1 ZINC000765310751 576008320 /nfs/dbraw/zinc/00/83/20/576008320.db2.gz MIHCROSPRLLZFB-RKDXNWHRSA-N -1 3 257.355 1.981 20 10 CDCDHM CCOc1ccc(CN2CCN3C(=O)CC[C@H]3C2)c([O-])c1 ZINC000769206535 576337353 /nfs/dbraw/zinc/33/73/53/576337353.db2.gz OZQXNXILVQXDIX-ZDUSSCGKSA-N -1 3 290.363 1.598 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)[C@H]2CCNC2=O)c1[O-] ZINC000759435489 576389551 /nfs/dbraw/zinc/38/95/51/576389551.db2.gz GZVHLAAGEUGRIB-LBPRGKRZSA-N -1 3 280.299 1.054 20 10 CDCDHM CC(C)COC[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000748403854 576910782 /nfs/dbraw/zinc/91/07/82/576910782.db2.gz BHKCONDSGVIDHB-SNVBAGLBSA-N -1 3 273.354 1.217 20 10 CDCDHM CN(Cc1ccccc1O)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825980549 607751540 /nfs/dbraw/zinc/75/15/40/607751540.db2.gz DYSWVRVMNCJSCN-UHFFFAOYSA-N -1 3 298.306 1.173 20 10 CDCDHM CN(Cc1ccccc1O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825980549 607751541 /nfs/dbraw/zinc/75/15/41/607751541.db2.gz DYSWVRVMNCJSCN-UHFFFAOYSA-N -1 3 298.306 1.173 20 10 CDCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCCCNC1=O ZINC000893983821 618237278 /nfs/dbraw/zinc/23/72/78/618237278.db2.gz GJZXYAJOLHNGJI-LBPRGKRZSA-N -1 3 284.306 1.771 20 10 CDCDHM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC001608817058 1164648652 /nfs/dbraw/zinc/64/86/52/1164648652.db2.gz WMFCIUHZMBFRTB-IAZYJMLFSA-N -1 3 251.257 1.294 20 10 CDCDHM O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC001608817058 1164648656 /nfs/dbraw/zinc/64/86/56/1164648656.db2.gz WMFCIUHZMBFRTB-IAZYJMLFSA-N -1 3 251.257 1.294 20 10 CDCDHM CC(=O)C(=O)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588782921 1173107395 /nfs/dbraw/zinc/10/73/95/1173107395.db2.gz ZVCXHPOJXIPMOF-UHFFFAOYSA-N -1 3 280.671 1.057 20 10 CDCDHM CC(=O)C(=O)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588782921 1173107399 /nfs/dbraw/zinc/10/73/99/1173107399.db2.gz ZVCXHPOJXIPMOF-UHFFFAOYSA-N -1 3 280.671 1.057 20 10 CDCDHM C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589973228 1173219160 /nfs/dbraw/zinc/21/91/60/1173219160.db2.gz DVBYDKQENFLRAE-VHSXEESVSA-N -1 3 289.339 1.402 20 10 CDCDHM CO[C@H](C)c1nsc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000802627653 728876923 /nfs/dbraw/zinc/87/69/23/728876923.db2.gz BSMOYQGJPWLMDH-ZCFIWIBFSA-N -1 3 295.320 1.909 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(n2ccnn2)CC1 ZINC000776356875 728907242 /nfs/dbraw/zinc/90/72/42/728907242.db2.gz GNRXPZVMPFUKBO-UHFFFAOYSA-N -1 3 288.307 1.167 20 10 CDCDHM O=C(NC1CCSCC1)c1cccc(O)c1[O-] ZINC000126558568 728531269 /nfs/dbraw/zinc/53/12/69/728531269.db2.gz OXYALFINRAOIKJ-UHFFFAOYSA-N -1 3 253.323 1.723 20 10 CDCDHM CN(Cc1cc(Cl)cc(F)c1[O-])[C@@]1(CO)CCOC1 ZINC000862426784 728548570 /nfs/dbraw/zinc/54/85/70/728548570.db2.gz OHQCHGUXPCFFRY-CYBMUJFWSA-N -1 3 289.734 1.768 20 10 CDCDHM CC(=O)NC[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000179712131 729123619 /nfs/dbraw/zinc/12/36/19/729123619.db2.gz SIRFZNJKHSIGGK-ZDUSSCGKSA-N -1 3 298.770 1.383 20 10 CDCDHM COCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126426249 729281550 /nfs/dbraw/zinc/28/15/50/729281550.db2.gz GKAIYCPZPAQFOD-UHFFFAOYSA-N -1 3 265.309 1.596 20 10 CDCDHM COC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000926489008 729593573 /nfs/dbraw/zinc/59/35/73/729593573.db2.gz AHDDNSPUCLMVHC-BDAKNGLRSA-N -1 3 279.292 1.169 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCN(C)[C@@H](C)C2)c1[O-] ZINC000110727200 730391503 /nfs/dbraw/zinc/39/15/03/730391503.db2.gz OAECOJZUTJUWJS-JTQLQIEISA-N -1 3 280.343 1.870 20 10 CDCDHM Cc1cc([O-])c(CN2CCO[C@H](C(N)=O)C2)cc1Cl ZINC000824649156 730416295 /nfs/dbraw/zinc/41/62/95/730416295.db2.gz AMVAEKHEXSNZKU-LBPRGKRZSA-N -1 3 284.743 1.040 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](CCO)C1 ZINC000126616694 1166067338 /nfs/dbraw/zinc/06/73/38/1166067338.db2.gz NRCXXHIZIZAZSP-SNVBAGLBSA-N -1 3 265.309 1.332 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](CO)CC1 ZINC000294565791 899182152 /nfs/dbraw/zinc/18/21/52/899182152.db2.gz NPNBUKZUQPHUDE-JTQLQIEISA-N -1 3 265.309 1.332 20 10 CDCDHM CNC(=O)N[C@H]1CCCN(Cc2c([O-])cccc2F)C1 ZINC001137841384 936420204 /nfs/dbraw/zinc/42/02/04/936420204.db2.gz CIFOAMSAIPDOEW-JTQLQIEISA-N -1 3 281.331 1.425 20 10 CDCDHM O=C(CCc1ccc(O)c(O)c1)Nc1ncccc1[O-] ZINC001182154208 917692299 /nfs/dbraw/zinc/69/22/99/917692299.db2.gz USBMMOGIAAEKGD-UHFFFAOYSA-N -1 3 274.276 1.770 20 10 CDCDHM CN1CCC12CN(Cc1cccc(Cl)c1[O-])C2 ZINC001276380461 936620831 /nfs/dbraw/zinc/62/08/31/936620831.db2.gz VIVOLJRUCONCLP-UHFFFAOYSA-N -1 3 252.745 1.936 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1C[C@@H]2CCO[C@@H]2C1 ZINC001139686295 936635413 /nfs/dbraw/zinc/63/54/13/936635413.db2.gz SOPJGYIGBKURJS-QPUJVOFHSA-N -1 3 255.264 1.891 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCc2n[nH]cc2C1 ZINC000396883814 936702832 /nfs/dbraw/zinc/70/28/32/936702832.db2.gz QJMSPITURXHRLM-UHFFFAOYSA-N -1 3 259.265 1.019 20 10 CDCDHM O=C1CCC2(CCN(Cc3cc(F)c(F)cc3[O-])CC2)N1 ZINC001142531401 937028086 /nfs/dbraw/zinc/02/80/86/937028086.db2.gz WGCWVGQZNQJHJK-UHFFFAOYSA-N -1 3 296.317 1.915 20 10 CDCDHM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000857328991 928695635 /nfs/dbraw/zinc/69/56/35/928695635.db2.gz ALADIDAUSQGCKM-KOLCDFICSA-N -1 3 293.319 1.512 20 10 CDCDHM O=C1[C@H](NCc2cc(F)cc(F)c2[O-])CCN1C1CCC1 ZINC000883191703 930161366 /nfs/dbraw/zinc/16/13/66/930161366.db2.gz HNIJOJNQSZLJCC-CYBMUJFWSA-N -1 3 296.317 1.913 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](O)[C@H](F)CC1 ZINC001139683194 937401559 /nfs/dbraw/zinc/40/15/59/937401559.db2.gz BCLDGXDTEGLHJS-ZYHUDNBSSA-N -1 3 275.270 1.965 20 10 CDCDHM Cc1cc(O)cnc1NC(=O)c1cccc(O)c1[O-] ZINC001148212790 932669074 /nfs/dbraw/zinc/66/90/74/932669074.db2.gz MRXMRVWEIIWASQ-UHFFFAOYSA-N -1 3 260.249 1.759 20 10 CDCDHM CCC(CC)CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148580111 932749378 /nfs/dbraw/zinc/74/93/78/932749378.db2.gz FHAFIPGWOMOMPS-UHFFFAOYSA-N -1 3 253.298 1.969 20 10 CDCDHM O=C(NCc1cnc2[nH]ccc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148589811 932753245 /nfs/dbraw/zinc/75/32/45/932753245.db2.gz LYWCYEMWPZUORW-UHFFFAOYSA-N -1 3 299.286 1.610 20 10 CDCDHM COc1cc([O-])c(CN2CC3(CCN3C)C2)c(Cl)c1 ZINC001276806006 941356756 /nfs/dbraw/zinc/35/67/56/941356756.db2.gz QPKKDTLZMHOQJF-UHFFFAOYSA-N -1 3 282.771 1.944 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@]23CCOC3)c([O-])c1 ZINC001231452085 942896738 /nfs/dbraw/zinc/89/67/38/942896738.db2.gz ADOWBEAJEHEKRV-OAHLLOKOSA-N -1 3 277.320 1.845 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@]23CCOC3)c([O-])c1 ZINC001231452085 942896741 /nfs/dbraw/zinc/89/67/41/942896741.db2.gz ADOWBEAJEHEKRV-OAHLLOKOSA-N -1 3 277.320 1.845 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@H](CO)CC2)c1 ZINC001231561649 942929180 /nfs/dbraw/zinc/92/91/80/942929180.db2.gz XNEZXJOFJVPABB-NSHDSACASA-N -1 3 279.336 1.685 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC001231561649 942929182 /nfs/dbraw/zinc/92/91/82/942929182.db2.gz XNEZXJOFJVPABB-NSHDSACASA-N -1 3 279.336 1.685 20 10 CDCDHM COc1cc([O-])c(CN2CCC[C@H]2C(N)=O)cc1Cl ZINC001232263642 943194006 /nfs/dbraw/zinc/19/40/06/943194006.db2.gz CDNGIQKVDYDBLH-JTQLQIEISA-N -1 3 284.743 1.504 20 10 CDCDHM Cn1cnc(/C=C/C(=O)NCc2c([O-])cccc2F)c1 ZINC001303876397 956126216 /nfs/dbraw/zinc/12/62/16/956126216.db2.gz ZRRGKESUQJJHRF-AATRIKPKSA-N -1 3 275.283 1.594 20 10 CDCDHM O=C([N-]CCc1ccc(O)c(O)c1)C(F)(F)C(F)F ZINC000179685089 357220993 /nfs/dbraw/zinc/22/09/93/357220993.db2.gz FUUJGVGWHQMBBU-UHFFFAOYSA-N -1 3 281.205 1.657 20 10 CDCDHM CC(C)CN1CCN(Cc2cc(F)ccc2[O-])CC1=O ZINC000190103203 358052884 /nfs/dbraw/zinc/05/28/84/358052884.db2.gz TYSVTBTVIIRYRQ-UHFFFAOYSA-N -1 3 280.343 1.832 20 10 CDCDHM CC(C)c1nnc(CNC(=O)c2cccc(O)c2[O-])n1C ZINC000193154207 358270142 /nfs/dbraw/zinc/27/01/42/358270142.db2.gz SIKOEXXTOBQPMK-UHFFFAOYSA-N -1 3 290.323 1.280 20 10 CDCDHM CC(C)(C)n1ncnc1CNC(=O)c1cccc(O)c1[O-] ZINC000282210994 367776379 /nfs/dbraw/zinc/77/63/79/367776379.db2.gz SZIPVARACPIPNQ-UHFFFAOYSA-N -1 3 290.323 1.374 20 10 CDCDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])C(=O)NCCF ZINC000282654680 367976664 /nfs/dbraw/zinc/97/66/64/367976664.db2.gz IFXDALHFIBMKPR-DTWKUNHWSA-N -1 3 272.295 1.656 20 10 CDCDHM C[C@@H](NCc1cnnn1C)c1ccc(F)c(F)c1[O-] ZINC000287517768 369224080 /nfs/dbraw/zinc/22/40/80/369224080.db2.gz ZLUJTBBJRFNOHK-SSDOTTSWSA-N -1 3 268.267 1.650 20 10 CDCDHM CCNC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000294481582 371063584 /nfs/dbraw/zinc/06/35/84/371063584.db2.gz WJGGJVOIRACDMM-NSHDSACASA-N -1 3 294.351 1.297 20 10 CDCDHM COC(=O)[C@H]1COCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000271759441 284418821 /nfs/dbraw/zinc/41/88/21/284418821.db2.gz YFRBDIHFXQQDBD-GFCCVEGCSA-N -1 3 299.754 1.728 20 10 CDCDHM COCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000109779902 390648053 /nfs/dbraw/zinc/64/80/53/390648053.db2.gz KRSSJFXCBPYARX-UHFFFAOYSA-N -1 3 287.743 1.667 20 10 CDCDHM CN(CC(=O)N(C)c1nccs1)Cc1ccccc1[O-] ZINC000109772737 390648755 /nfs/dbraw/zinc/64/87/55/390648755.db2.gz QKQXPMGDQKISAQ-UHFFFAOYSA-N -1 3 291.376 1.944 20 10 CDCDHM Nc1nsc(N2CCN(Cc3ccccc3[O-])CC2)n1 ZINC000271343660 391294037 /nfs/dbraw/zinc/29/40/37/391294037.db2.gz KAQIZUHNZRKJIK-UHFFFAOYSA-N -1 3 291.380 1.148 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H]([C@H](C)O)C2)c([O-])c1O ZINC000272954011 328202086 /nfs/dbraw/zinc/20/20/86/328202086.db2.gz IRKVCCCWXVXYDK-UWVGGRQHSA-N -1 3 265.309 1.249 20 10 CDCDHM CC(C)C[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000126614745 519363217 /nfs/dbraw/zinc/36/32/17/519363217.db2.gz LIHRYQOZDBAJLK-SECBINFHSA-N -1 3 253.298 1.235 20 10 CDCDHM CCN1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276512646 521637348 /nfs/dbraw/zinc/63/73/48/521637348.db2.gz DYOFCGLOLQKXSI-SECBINFHSA-N -1 3 282.315 1.451 20 10 CDCDHM CC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048923162 522216407 /nfs/dbraw/zinc/21/64/07/522216407.db2.gz LWXRQLBBNHCKQN-MRVPVSSYSA-N -1 3 286.353 1.292 20 10 CDCDHM CN1CCN(Cc2cc(Br)ccc2[O-])CC1=O ZINC000127304542 523909725 /nfs/dbraw/zinc/90/97/25/523909725.db2.gz ZLGMUWSGMIKTGJ-UHFFFAOYSA-N -1 3 299.168 1.429 20 10 CDCDHM CO[C@H]1COC[C@@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290015150 524009871 /nfs/dbraw/zinc/00/98/71/524009871.db2.gz BWYJUZKSNMBASB-WLTAIBSBSA-N -1 3 282.296 1.365 20 10 CDCDHM C[C@H](COCC(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000280419419 524576972 /nfs/dbraw/zinc/57/69/72/524576972.db2.gz IAZDNIMCWRDMLP-SSDOTTSWSA-N -1 3 293.241 1.795 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000291748361 526772029 /nfs/dbraw/zinc/77/20/29/526772029.db2.gz UCCXOJQYLIWNGN-DTORHVGOSA-N -1 3 261.277 1.434 20 10 CDCDHM Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(O)c1[O-] ZINC000279443216 527577766 /nfs/dbraw/zinc/57/77/66/527577766.db2.gz DAIMIJXURSDJDX-NSHDSACASA-N -1 3 287.319 1.639 20 10 CDCDHM CCS(=O)(=O)Nc1ccc([O-])c(Br)c1 ZINC000003078427 1174547541 /nfs/dbraw/zinc/54/75/41/1174547541.db2.gz VCHWIMXGVSBJOL-UHFFFAOYSA-N -1 3 280.143 1.916 20 10 CDCDHM COc1cccc([O-])c1CN(C)CCNC(=O)C(C)C ZINC000770378400 575442905 /nfs/dbraw/zinc/44/29/05/575442905.db2.gz FGXWSWPDVQPJMF-UHFFFAOYSA-N -1 3 280.368 1.605 20 10 CDCDHM O=C(NCCc1nccs1)c1cc([O-])cs1 ZINC000732279043 575086374 /nfs/dbraw/zinc/08/63/74/575086374.db2.gz FCBKJKVSRVHTHU-UHFFFAOYSA-N -1 3 254.336 1.883 20 10 CDCDHM CC[C@H](C)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000732353025 575088230 /nfs/dbraw/zinc/08/82/30/575088230.db2.gz BLFQXJPOVLFQCL-ZETCQYMHSA-N -1 3 257.311 1.525 20 10 CDCDHM O=C(NCCN1CCSCC1)c1cc([O-])cs1 ZINC000732833587 575097870 /nfs/dbraw/zinc/09/78/70/575097870.db2.gz BYHHVPMPKJFLSO-UHFFFAOYSA-N -1 3 272.395 1.232 20 10 CDCDHM C[C@@H](NCc1cc2c(cc1[O-])OCO2)C(=O)OC(C)(C)C ZINC000733334684 575115243 /nfs/dbraw/zinc/11/52/43/575115243.db2.gz QBCSMSLUBLNJAF-SECBINFHSA-N -1 3 295.335 1.941 20 10 CDCDHM COC(=O)C[C@@H]1CN(Cc2c([O-])cccc2OC)CCO1 ZINC000769446023 576354267 /nfs/dbraw/zinc/35/42/67/576354267.db2.gz KCNPPCZAUZEHFV-LLVKDONJSA-N -1 3 295.335 1.165 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000740127673 576428931 /nfs/dbraw/zinc/42/89/31/576428931.db2.gz FURGBIBILYAYSQ-MRVPVSSYSA-N -1 3 281.255 1.857 20 10 CDCDHM CNC(=O)CCCN(C)C(=O)c1cc([O-])cs1 ZINC000753847300 576862460 /nfs/dbraw/zinc/86/24/60/576862460.db2.gz ZKSONIHJQZECNV-UHFFFAOYSA-N -1 3 256.327 1.052 20 10 CDCDHM C[C@@H](NCC(=O)NCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757630780 577047121 /nfs/dbraw/zinc/04/71/21/577047121.db2.gz AABYMMLHMLHBMR-SECBINFHSA-N -1 3 293.323 1.477 20 10 CDCDHM NC(=O)CC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893947674 618212962 /nfs/dbraw/zinc/21/29/62/618212962.db2.gz ZGDFKUMNHJHNHW-UHFFFAOYSA-N -1 3 284.306 1.758 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1O ZINC000897680250 621067440 /nfs/dbraw/zinc/06/74/40/621067440.db2.gz HMHWUNUXDNFXHE-HQJQHLMTSA-N -1 3 259.708 1.997 20 10 CDCDHM COC[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])OC ZINC001606800029 1163998047 /nfs/dbraw/zinc/99/80/47/1163998047.db2.gz CILAZTXTBSJCLS-KOLCDFICSA-N -1 3 283.324 1.402 20 10 CDCDHM Cc1nocc1S(=O)(=O)[N-]CCc1ccc(N)cc1 ZINC000866761224 1164820397 /nfs/dbraw/zinc/82/03/97/1164820397.db2.gz NRCTXFKWWLRKNA-UHFFFAOYSA-N -1 3 281.337 1.086 20 10 CDCDHM CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591323936 1173609546 /nfs/dbraw/zinc/60/95/46/1173609546.db2.gz GMKMCCCSFZLUIB-LPEHRKFASA-N -1 3 291.355 1.646 20 10 CDCDHM COC[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])OC ZINC001606800031 1163998424 /nfs/dbraw/zinc/99/84/24/1163998424.db2.gz CILAZTXTBSJCLS-ONGXEEELSA-N -1 3 283.324 1.402 20 10 CDCDHM O=C(CNCc1cc(Cl)cc(F)c1[O-])NC1CC1 ZINC000839099300 730630365 /nfs/dbraw/zinc/63/03/65/730630365.db2.gz WDKPQSVDAIDYTF-UHFFFAOYSA-N -1 3 272.707 1.553 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCCNC(=O)C2)c1[O-] ZINC000087884875 730752440 /nfs/dbraw/zinc/75/24/40/730752440.db2.gz ZJMKNRCDEDYCSU-UHFFFAOYSA-N -1 3 280.299 1.056 20 10 CDCDHM CN(CCN1CCCCC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000846662462 730873766 /nfs/dbraw/zinc/87/37/66/730873766.db2.gz RTZZPINBKIVMSS-UHFFFAOYSA-N -1 3 296.342 1.795 20 10 CDCDHM C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000857309008 731020383 /nfs/dbraw/zinc/02/03/83/731020383.db2.gz NWXYKDGWWLZCHA-ZLMDCXFVSA-N -1 3 297.376 1.517 20 10 CDCDHM CN(C)C(=O)CN(C)Cc1cc(Cl)ccc1[O-] ZINC000132120020 731161845 /nfs/dbraw/zinc/16/18/45/731161845.db2.gz QVTYGUCNAJSHII-UHFFFAOYSA-N -1 3 256.733 1.566 20 10 CDCDHM C[C@@H]1OCC[C@@]1(C)NC(=O)c1cccc(O)c1[O-] ZINC000229417742 731264907 /nfs/dbraw/zinc/26/49/07/731264907.db2.gz OEFQDXOEUTVGBP-ISVAXAHUSA-N -1 3 251.282 1.395 20 10 CDCDHM CCC(CC)(NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000801546354 731365904 /nfs/dbraw/zinc/36/59/04/731365904.db2.gz KGZSYWMJSULDDU-UHFFFAOYSA-N -1 3 281.308 1.559 20 10 CDCDHM CON(C)C(=O)[C@H](C)N[C@H](C)c1c([O-])cccc1F ZINC000886644827 731415350 /nfs/dbraw/zinc/41/53/50/731415350.db2.gz LNOCEYWDLXIVHH-BDAKNGLRSA-N -1 3 270.304 1.590 20 10 CDCDHM O=C1NCC2(CCN(Cc3ccc(F)c(F)c3[O-])CC2)O1 ZINC000877461031 731613186 /nfs/dbraw/zinc/61/31/86/731613186.db2.gz WRLSHICYUZLAOZ-UHFFFAOYSA-N -1 3 298.289 1.745 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1ccccc1 ZINC000811541335 731726630 /nfs/dbraw/zinc/72/66/30/731726630.db2.gz YLDSLMCSOXOZRW-YGRLFVJLSA-N -1 3 287.315 1.950 20 10 CDCDHM Cc1ccc(C(=O)NN2Cc3ccccc3C2=O)c([O-])c1O ZINC000183905086 732212879 /nfs/dbraw/zinc/21/28/79/732212879.db2.gz VWNQMEXMMBXAKF-UHFFFAOYSA-N -1 3 298.298 1.707 20 10 CDCDHM O=C(N[C@@H]1CCOC12CCCC2)c1cccc(O)c1[O-] ZINC000890412472 732494923 /nfs/dbraw/zinc/49/49/23/732494923.db2.gz BDZOVRBSYWJLBM-GFCCVEGCSA-N -1 3 277.320 1.929 20 10 CDCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(=O)n1C ZINC000787601702 732791863 /nfs/dbraw/zinc/79/18/63/732791863.db2.gz FVRIJAVRTWXZTF-UHFFFAOYSA-N -1 3 288.303 1.035 20 10 CDCDHM O=C(NC[C@@H](O)c1ccco1)c1cccc(O)c1[O-] ZINC000790529442 733038073 /nfs/dbraw/zinc/03/80/73/733038073.db2.gz DMIQHURQKWTOFI-SNVBAGLBSA-N -1 3 263.249 1.154 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCC2(C1)OCCO2 ZINC001137837572 936419321 /nfs/dbraw/zinc/41/93/21/936419321.db2.gz MGZQDKNWISNGHB-UHFFFAOYSA-N -1 3 253.273 1.480 20 10 CDCDHM O=C1CN(Cc2c([O-])cccc2Br)C1 ZINC001140101490 936678982 /nfs/dbraw/zinc/67/89/82/936678982.db2.gz VUXQALNJXVFBSI-UHFFFAOYSA-N -1 3 256.099 1.539 20 10 CDCDHM COC[C@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001140464226 936712625 /nfs/dbraw/zinc/71/26/25/936712625.db2.gz HNDDIIJACVFELR-LBPRGKRZSA-N -1 3 271.744 1.893 20 10 CDCDHM NC(=O)[C@H]1CCCCN1Cc1ccc(Cl)cc1[O-] ZINC001140467597 936713126 /nfs/dbraw/zinc/71/31/26/936713126.db2.gz YYBHBZUNLPUXQR-LLVKDONJSA-N -1 3 268.744 1.885 20 10 CDCDHM CCc1nnc(CNCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000708518087 923201942 /nfs/dbraw/zinc/20/19/42/923201942.db2.gz ZNSYNEUOPVLZEB-UHFFFAOYSA-N -1 3 268.267 1.641 20 10 CDCDHM O=C(c1ccc(O)c([O-])c1Cl)N1CCN2CC[C@H]2C1 ZINC001193232703 923552165 /nfs/dbraw/zinc/55/21/65/923552165.db2.gz NPLHBIRJCFPZGI-QMMMGPOBSA-N -1 3 282.727 1.281 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC(=O)N(C)C[C@@H]2C)c1[O-] ZINC000782591364 937255310 /nfs/dbraw/zinc/25/53/10/937255310.db2.gz FAURKYNTVIAOQW-VIFPVBQESA-N -1 3 294.326 1.396 20 10 CDCDHM Nc1cc[nH]c(=O)c1NC(=O)c1cccc(O)c1[O-] ZINC001148211958 932667269 /nfs/dbraw/zinc/66/72/69/932667269.db2.gz FCKSVPBYZWHLPH-UHFFFAOYSA-N -1 3 261.237 1.033 20 10 CDCDHM O=C(NC[C@@H](O)c1ccc(O)cc1)c1cccc(O)c1[O-] ZINC001148219847 932669848 /nfs/dbraw/zinc/66/98/48/932669848.db2.gz BLHDMGYWPAAUDV-CYBMUJFWSA-N -1 3 289.287 1.267 20 10 CDCDHM COC(=O)C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219223 932670382 /nfs/dbraw/zinc/67/03/82/932670382.db2.gz XEILOUFQIAQMJM-SNVBAGLBSA-N -1 3 293.319 1.513 20 10 CDCDHM O=C(NCc1cc2ccccn2n1)c1cccc(O)c1[O-] ZINC001148224648 932671748 /nfs/dbraw/zinc/67/17/48/932671748.db2.gz RMHOFGPMOJHFFQ-UHFFFAOYSA-N -1 3 283.287 1.676 20 10 CDCDHM O=C(NC1(c2cccnc2)CC1)c1cccc(O)c1[O-] ZINC001148224797 932671889 /nfs/dbraw/zinc/67/18/89/932671889.db2.gz VLBIYTCFTJAOFX-UHFFFAOYSA-N -1 3 270.288 1.912 20 10 CDCDHM O=C(N[C@@H]1C(=O)NCc2ccccc21)c1cccc(O)c1[O-] ZINC001148224399 932672020 /nfs/dbraw/zinc/67/20/20/932672020.db2.gz JYRNPSKTXNSWPP-ZDUSSCGKSA-N -1 3 298.298 1.199 20 10 CDCDHM Cc1cnc(=O)[nH]c1NC(=O)c1cccc(O)c1[O-] ZINC001148220034 932672297 /nfs/dbraw/zinc/67/22/97/932672297.db2.gz MMMVURQCGSVCKW-UHFFFAOYSA-N -1 3 261.237 1.154 20 10 CDCDHM CC(C)[C@@H]1COCCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584349 932753259 /nfs/dbraw/zinc/75/32/59/932753259.db2.gz SRMSIINQWQABQO-JTQLQIEISA-N -1 3 281.308 1.300 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c([O-])c1 ZINC001231449667 942893451 /nfs/dbraw/zinc/89/34/51/942893451.db2.gz KVSVEAKMYYUBAE-OAHLLOKOSA-N -1 3 277.320 1.845 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@]3(CCCO3)C2)c([O-])c1 ZINC001231449667 942893454 /nfs/dbraw/zinc/89/34/54/942893454.db2.gz KVSVEAKMYYUBAE-OAHLLOKOSA-N -1 3 277.320 1.845 20 10 CDCDHM CC(C)[C@H]1COCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231455238 942899302 /nfs/dbraw/zinc/89/93/02/942899302.db2.gz YXKVCEIVQCHJML-CYBMUJFWSA-N -1 3 279.336 1.947 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC001231560280 942925478 /nfs/dbraw/zinc/92/54/78/942925478.db2.gz FDCHHJRTZUCYNG-GFCCVEGCSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC001231560280 942925482 /nfs/dbraw/zinc/92/54/82/942925482.db2.gz FDCHHJRTZUCYNG-GFCCVEGCSA-N -1 3 265.309 1.437 20 10 CDCDHM C[C@@]1(O)CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560266 942926224 /nfs/dbraw/zinc/92/62/24/942926224.db2.gz DQPBEADPQIZUDQ-OAHLLOKOSA-N -1 3 279.336 1.827 20 10 CDCDHM C[C@@]1(O)CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560266 942926227 /nfs/dbraw/zinc/92/62/27/942926227.db2.gz DQPBEADPQIZUDQ-OAHLLOKOSA-N -1 3 279.336 1.827 20 10 CDCDHM COc1cc([O-])c(CN2CC(O)C2)c(Br)c1 ZINC001237061299 944650126 /nfs/dbraw/zinc/65/01/26/944650126.db2.gz FAMKBPSEOJLHEP-UHFFFAOYSA-N -1 3 288.141 1.340 20 10 CDCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@H](CO)[C@H](O)C1 ZINC001237120095 944660158 /nfs/dbraw/zinc/66/01/58/944660158.db2.gz JALCZFBSQPJVDU-PRHODGIISA-N -1 3 289.734 1.360 20 10 CDCDHM CCCCOC[C@H](O)CNCC(=O)c1ccc([O-])c(O)c1 ZINC001252532481 951417584 /nfs/dbraw/zinc/41/75/84/951417584.db2.gz NVDIMKWPPYYCRK-GFCCVEGCSA-N -1 3 297.351 1.048 20 10 CDCDHM O=C([O-])[C@H](Cc1ccncc1)[NH2+]Cc1ccccc1[O-] ZINC001594840608 954073901 /nfs/dbraw/zinc/07/39/01/954073901.db2.gz CUGANIBMKAPZCN-ZDUSSCGKSA-N -1 3 272.304 1.573 20 10 CDCDHM COc1cccc([O-])c1C[NH2+]CC1(C(=O)[O-])CCOCC1 ZINC001594131771 958682533 /nfs/dbraw/zinc/68/25/33/958682533.db2.gz KUGCGLLCJBBLGZ-UHFFFAOYSA-N -1 3 295.335 1.372 20 10 CDCDHM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000300437164 963006890 /nfs/dbraw/zinc/00/68/90/963006890.db2.gz SPZNESFMTNUPLB-LLVKDONJSA-N -1 3 253.273 1.970 20 10 CDCDHM O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000300437164 963006905 /nfs/dbraw/zinc/00/69/05/963006905.db2.gz SPZNESFMTNUPLB-LLVKDONJSA-N -1 3 253.273 1.970 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1CCN(CCC(=O)[O-])C1=O)c1ccccc1[O-] ZINC001599841082 988832943 /nfs/dbraw/zinc/83/29/43/988832943.db2.gz KFGPTKIGFQNMBF-ZYHUDNBSSA-N -1 3 292.335 1.118 20 10 CDCDHM COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599157069 998390382 /nfs/dbraw/zinc/39/03/82/998390382.db2.gz VVYQQIGBAHBLLT-BMIGLBTASA-N -1 3 297.351 1.529 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCNC(=O)[C@H]2C)c1[O-] ZINC000179921197 357230486 /nfs/dbraw/zinc/23/04/86/357230486.db2.gz LUWUBYSXPXIOAE-SECBINFHSA-N -1 3 268.744 1.674 20 10 CDCDHM CCS(=O)(=O)CCN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187695335 357796007 /nfs/dbraw/zinc/79/60/07/357796007.db2.gz CYOFANTURYUFLS-QMMMGPOBSA-N -1 3 293.335 1.756 20 10 CDCDHM C[C@H]1CCC[C@@]1(O)CNC(=O)c1cccc(O)c1[O-] ZINC000294389402 199021059 /nfs/dbraw/zinc/02/10/59/199021059.db2.gz SLTNWJGWIKSHAS-LKFCYVNXSA-N -1 3 265.309 1.379 20 10 CDCDHM COc1ccc(N2CCN([C@@H](C)C(=O)[O-])CC2)cc1F ZINC000237281092 359548891 /nfs/dbraw/zinc/54/88/91/359548891.db2.gz DZAGEUNWPGUZAZ-JTQLQIEISA-N -1 3 282.315 1.429 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN(C2CC2)CC1 ZINC000272336334 365195562 /nfs/dbraw/zinc/19/55/62/365195562.db2.gz XOAZZROJUAUECV-UHFFFAOYSA-N -1 3 250.317 1.811 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H](C)CCO)c([O-])c1O ZINC000272744258 365377610 /nfs/dbraw/zinc/37/76/10/365377610.db2.gz MQRRPPWIZVVADM-MRVPVSSYSA-N -1 3 253.298 1.155 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CCOC[C@@H]2C)c([O-])c1O ZINC000287083273 369083696 /nfs/dbraw/zinc/08/36/96/369083696.db2.gz YIUAGKQGCUNCOC-WDEREUQCSA-N -1 3 279.336 1.809 20 10 CDCDHM Cc1ccc(C(=O)N(C)CCOCC2CC2)c([O-])c1O ZINC000182590345 391237692 /nfs/dbraw/zinc/23/76/92/391237692.db2.gz VIWZOMIBJWJAON-UHFFFAOYSA-N -1 3 279.336 1.905 20 10 CDCDHM Cc1nc(CN2CCN(Cc3ccccc3[O-])CC2)no1 ZINC000179572822 391211452 /nfs/dbraw/zinc/21/14/52/391211452.db2.gz XWYTZRIQNRJJLU-UHFFFAOYSA-N -1 3 288.351 1.401 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCN(CCO)CC1 ZINC000154560744 261093092 /nfs/dbraw/zinc/09/30/92/261093092.db2.gz QJQWHJFKCCKDJI-UHFFFAOYSA-N -1 3 270.760 1.156 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000377701301 329025732 /nfs/dbraw/zinc/02/57/32/329025732.db2.gz SOLJMDGYRJZDOK-DZGCQCFKSA-N -1 3 281.327 1.911 20 10 CDCDHM COC[C@H](CCO)NCc1c([O-])cccc1Cl ZINC000219128278 329147512 /nfs/dbraw/zinc/14/75/12/329147512.db2.gz GCFXAEXKEROSTA-VIFPVBQESA-N -1 3 259.733 1.533 20 10 CDCDHM COC(=O)C[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000179576330 329209674 /nfs/dbraw/zinc/20/96/74/329209674.db2.gz WVQWXDLSQYHHCW-GFCCVEGCSA-N -1 3 265.309 1.156 20 10 CDCDHM [O-]c1c(F)cccc1CN1CC[C@H](N2CCOCC2)C1 ZINC000166375061 331306972 /nfs/dbraw/zinc/30/69/72/331306972.db2.gz IUIVJIVCBHJSRU-ZDUSSCGKSA-N -1 3 280.343 1.438 20 10 CDCDHM CN(C)C(=O)COC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839137186 1160149040 /nfs/dbraw/zinc/14/90/40/1160149040.db2.gz BRCZVYJJXIOUIS-UHFFFAOYSA-N -1 3 298.770 1.335 20 10 CDCDHM CCNC(=O)[C@@H](C)NCc1cccc(Cl)c1[O-] ZINC000127868776 521743737 /nfs/dbraw/zinc/74/37/37/521743737.db2.gz PAZHWBJHRDYYNZ-MRVPVSSYSA-N -1 3 256.733 1.660 20 10 CDCDHM COc1c([O-])c(CN[C@H](C)CF)ccc1[N+](=O)[O-] ZINC000290149086 521883446 /nfs/dbraw/zinc/88/34/46/521883446.db2.gz LAFSETJHNVZMFX-SSDOTTSWSA-N -1 3 258.249 1.757 20 10 CDCDHM C[C@@H]1CCCN(CCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276627401 524228359 /nfs/dbraw/zinc/22/83/59/524228359.db2.gz SAEFFSUCKZVIRJ-SNVBAGLBSA-N -1 3 296.342 1.699 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C2CC2)O1 ZINC000280092177 524540929 /nfs/dbraw/zinc/54/09/29/524540929.db2.gz QVGFISPQMCZELC-TVQRCGJNSA-N -1 3 277.320 1.737 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](CO)C2CCCC2)c([O-])c1O ZINC000292093186 526212291 /nfs/dbraw/zinc/21/22/91/526212291.db2.gz YLLMTFNLBHHRMG-GFCCVEGCSA-N -1 3 279.336 1.687 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000280398183 526771496 /nfs/dbraw/zinc/77/14/96/526771496.db2.gz GEDQLOKSVJYVEF-SNVBAGLBSA-N -1 3 287.319 1.841 20 10 CDCDHM O=C(CNC(=O)c1cccc(O)c1[O-])OC1CCCCC1 ZINC000279302310 526862555 /nfs/dbraw/zinc/86/25/55/526862555.db2.gz NNBZXSAYRVTCMJ-UHFFFAOYSA-N -1 3 293.319 1.704 20 10 CDCDHM COCCN1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732288578 575087129 /nfs/dbraw/zinc/08/71/29/575087129.db2.gz DPDZSTYKSJEPIQ-JTQLQIEISA-N -1 3 284.381 1.294 20 10 CDCDHM C[C@H]([C@H](C)NC(=O)c1cc([O-])cs1)N1CCOCC1 ZINC000732288369 575087145 /nfs/dbraw/zinc/08/71/45/575087145.db2.gz QYVOEBKCQHQGBE-VHSXEESVSA-N -1 3 284.381 1.293 20 10 CDCDHM O=C(NC[C@H]1COC2(CCCC2)O1)c1cc([O-])cs1 ZINC000774354277 575200822 /nfs/dbraw/zinc/20/08/22/575200822.db2.gz GIIXRMVOYAXSKM-JTQLQIEISA-N -1 3 283.349 1.869 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCn3ncnc3C2)c1[O-] ZINC000770686764 575486550 /nfs/dbraw/zinc/48/65/50/575486550.db2.gz UCLBRIUAHHLFBW-UHFFFAOYSA-N -1 3 290.298 1.341 20 10 CDCDHM COc1cc(Cl)cc(CN2CCn3ncnc3C2)c1[O-] ZINC000770664501 575510687 /nfs/dbraw/zinc/51/06/87/575510687.db2.gz RSUVLXHGKHCAQC-UHFFFAOYSA-N -1 3 294.742 1.662 20 10 CDCDHM CC[C@H]1COCCN1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444998 576283382 /nfs/dbraw/zinc/28/33/82/576283382.db2.gz DWWRVTICNCFLJY-SMDDNHRTSA-N -1 3 279.336 1.429 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@H](C)CN1C ZINC000768845960 576312178 /nfs/dbraw/zinc/31/21/78/576312178.db2.gz LEUBKIZYJSGQEV-RKDXNWHRSA-N -1 3 254.355 1.618 20 10 CDCDHM C[C@H](O)CC(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000743575044 576645282 /nfs/dbraw/zinc/64/52/82/576645282.db2.gz LZFHVAPPVJVENT-QMMMGPOBSA-N -1 3 257.355 1.981 20 10 CDCDHM C[C@@H]1C[C@@H](NCc2nncn2C)c2c1c(F)ccc2[O-] ZINC000756403337 576989318 /nfs/dbraw/zinc/98/93/18/576989318.db2.gz XZYVRLDTXHZZJC-PSASIEDQSA-N -1 3 276.315 1.998 20 10 CDCDHM Cc1ccc([C@@H](C)NCc2nnnn2C2CC2)c([O-])c1 ZINC000756734164 577002166 /nfs/dbraw/zinc/00/21/66/577002166.db2.gz VDZJIOIEZIECDE-SNVBAGLBSA-N -1 3 273.340 1.873 20 10 CDCDHM CCOc1ccc(C[NH2+][C@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000820387414 598193196 /nfs/dbraw/zinc/19/31/96/598193196.db2.gz OSVRSVJVVHKIJR-ZDUSSCGKSA-N -1 3 267.325 1.990 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])c1ccccc1N ZINC000125968805 1175425156 /nfs/dbraw/zinc/42/51/56/1175425156.db2.gz LNAXZXSUJKGDNV-UHFFFAOYSA-N -1 3 258.277 1.957 20 10 CDCDHM Cc1ccc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)cn1 ZINC000893206323 617460688 /nfs/dbraw/zinc/46/06/88/617460688.db2.gz AMSAFRQXGZQKTA-SREVYHEPSA-N -1 3 296.330 1.878 20 10 CDCDHM CC(=CC(=O)N1CCCc2c(=O)[n-]cnc21)c1cnccn1 ZINC000893204191 617461038 /nfs/dbraw/zinc/46/10/38/617461038.db2.gz FXRZOOTYUSXCAI-JXMROGBWSA-N -1 3 297.318 1.355 20 10 CDCDHM CCOc1ccc(C[N@H+](CCOC)CCC(=O)[O-])c([O-])c1 ZINC000904269644 626235588 /nfs/dbraw/zinc/23/55/88/626235588.db2.gz OITZXAMFBAXYJM-UHFFFAOYSA-N -1 3 297.351 1.714 20 10 CDCDHM CCOc1ccc(C[N@@H+](CCOC)CCC(=O)[O-])c([O-])c1 ZINC000904269644 626235589 /nfs/dbraw/zinc/23/55/89/626235589.db2.gz OITZXAMFBAXYJM-UHFFFAOYSA-N -1 3 297.351 1.714 20 10 CDCDHM CCN(CC)CC(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911484530 629300267 /nfs/dbraw/zinc/30/02/67/629300267.db2.gz OTTMHCRHVOBRBA-UHFFFAOYSA-N -1 3 294.351 1.147 20 10 CDCDHM Cc1nccc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000126359011 1165977936 /nfs/dbraw/zinc/97/79/36/1165977936.db2.gz XJVGWCBOFSLAQL-UHFFFAOYSA-N -1 3 259.265 1.126 20 10 CDCDHM C[C@H]([NH2+]CCCCCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963417 1173213506 /nfs/dbraw/zinc/21/35/06/1173213506.db2.gz WWEKHHBBZGOBIV-JTQLQIEISA-N -1 3 291.355 1.386 20 10 CDCDHM COC(=O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126733086 1175488281 /nfs/dbraw/zinc/48/82/81/1175488281.db2.gz DBCNHULDDQQOHL-SNVBAGLBSA-N -1 3 293.319 1.656 20 10 CDCDHM COC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126732873 1175488307 /nfs/dbraw/zinc/48/83/07/1175488307.db2.gz DBCNHULDDQQOHL-JTQLQIEISA-N -1 3 293.319 1.656 20 10 CDCDHM CC[C@@](C)(CNC(=O)c1cccc(O)c1[O-])OC ZINC000323065498 1186803500 /nfs/dbraw/zinc/80/35/00/1186803500.db2.gz LXWYZBHNEQDQTK-ZDUSSCGKSA-N -1 3 253.298 1.643 20 10 CDCDHM O=C(NCC1(CO)CCCC1)c1cccc(O)c1[O-] ZINC000126633878 735350508 /nfs/dbraw/zinc/35/05/08/735350508.db2.gz NTRPPWUYFMMQLP-UHFFFAOYSA-N -1 3 265.309 1.380 20 10 CDCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000790895784 736251382 /nfs/dbraw/zinc/25/13/82/736251382.db2.gz LDIFGGXIULJKDD-SNVBAGLBSA-N -1 3 295.335 1.948 20 10 CDCDHM COCC1(NC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000817226492 733182118 /nfs/dbraw/zinc/18/21/18/733182118.db2.gz SKCMVCLAQRKYKO-UHFFFAOYSA-N -1 3 281.308 1.023 20 10 CDCDHM COc1ccc(CNC(=O)c2cncc([O-])c2)c(O)c1 ZINC000796350483 733362902 /nfs/dbraw/zinc/36/29/02/733362902.db2.gz NSXBCHVDCCVMIU-UHFFFAOYSA-N -1 3 274.276 1.431 20 10 CDCDHM CC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000863814007 733528291 /nfs/dbraw/zinc/52/82/91/733528291.db2.gz UKEQOEZBGZXREK-NSHDSACASA-N -1 3 292.335 1.229 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1CC1CC1 ZINC000886467628 733629617 /nfs/dbraw/zinc/62/96/17/733629617.db2.gz HZYFUQGJLHEEAC-NSHDSACASA-N -1 3 277.320 1.739 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cc[nH]c(=O)c1 ZINC000818026737 733800793 /nfs/dbraw/zinc/80/07/93/733800793.db2.gz JJFJZWDGRIXRME-QMMMGPOBSA-N -1 3 274.276 1.689 20 10 CDCDHM O=C(N[C@H](CO)c1ccccc1)c1cccc(O)c1[O-] ZINC000126619388 733998495 /nfs/dbraw/zinc/99/84/95/733998495.db2.gz GRSZXTZYCQPRII-GFCCVEGCSA-N -1 3 273.288 1.561 20 10 CDCDHM CN(C)c1nc(NCc2cc(F)cc(F)c2[O-])n[nH]1 ZINC000883118002 734056268 /nfs/dbraw/zinc/05/62/68/734056268.db2.gz MRUUPVPFQHBYDX-UHFFFAOYSA-N -1 3 269.255 1.467 20 10 CDCDHM CN(C)c1n[nH]c(NCc2cc(F)cc(F)c2[O-])n1 ZINC000883118002 734056265 /nfs/dbraw/zinc/05/62/65/734056265.db2.gz MRUUPVPFQHBYDX-UHFFFAOYSA-N -1 3 269.255 1.467 20 10 CDCDHM CC(C)C[C@@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000230004060 734477670 /nfs/dbraw/zinc/47/76/70/734477670.db2.gz WTWCRUOHYPXZPY-SECBINFHSA-N -1 3 253.298 1.235 20 10 CDCDHM O=C(NCCCc1nccs1)c1cccc(O)c1[O-] ZINC000391381560 734913134 /nfs/dbraw/zinc/91/31/34/734913134.db2.gz XLZNRVCKTIWBQW-UHFFFAOYSA-N -1 3 278.333 1.917 20 10 CDCDHM CO[C@H]([C@H](C)NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000388281557 734986763 /nfs/dbraw/zinc/98/67/63/734986763.db2.gz MRXMXSLXWAIGGD-ISVAXAHUSA-N -1 3 265.309 1.641 20 10 CDCDHM CCOC(=O)CN(CC)C(=O)c1cccc(O)c1[O-] ZINC000126334437 735258381 /nfs/dbraw/zinc/25/83/81/735258381.db2.gz VMDJNZAGWOMKHT-UHFFFAOYSA-N -1 3 267.281 1.123 20 10 CDCDHM CON(C)C(=O)[C@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000858579633 735612811 /nfs/dbraw/zinc/61/28/11/735612811.db2.gz HEHGYYCQPNOJTB-SFYZADRCSA-N -1 3 288.294 1.729 20 10 CDCDHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(O)c1[O-] ZINC000187256817 735718713 /nfs/dbraw/zinc/71/87/13/735718713.db2.gz JKNNPGYSWRDZJW-UHFFFAOYSA-N -1 3 286.243 1.785 20 10 CDCDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@@]1(CO)CCOC1 ZINC000862426308 736248372 /nfs/dbraw/zinc/24/83/72/736248372.db2.gz DKDIAMHAPQHYFQ-CYBMUJFWSA-N -1 3 289.734 1.768 20 10 CDCDHM O=C1NC2(CO1)CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142527209 908868246 /nfs/dbraw/zinc/86/82/46/908868246.db2.gz OLCMHGXXVWAPQV-UHFFFAOYSA-N -1 3 298.289 1.745 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN2CCOC[C@@H]2C1 ZINC001137832812 936417518 /nfs/dbraw/zinc/41/75/18/936417518.db2.gz IVNOXYLCPBAGDP-NSHDSACASA-N -1 3 266.316 1.048 20 10 CDCDHM CC(C)N(C)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000830185122 936449106 /nfs/dbraw/zinc/44/91/06/936449106.db2.gz UWRRLZPWIPHBDN-UHFFFAOYSA-N -1 3 280.296 1.667 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CCN([C@@H]2CCOC2)CC1 ZINC001140461189 936711874 /nfs/dbraw/zinc/71/18/74/936711874.db2.gz GOZOAAYDFKCCOD-CQSZACIVSA-N -1 3 296.798 1.952 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@H](O)[C@H](F)CC1 ZINC001140582982 936726909 /nfs/dbraw/zinc/72/69/09/936726909.db2.gz RQUMPGIDFWNAEL-ZYHUDNBSSA-N -1 3 275.270 1.965 20 10 CDCDHM CNC(=O)c1cccnc1NC(=O)c1cccc(O)c1[O-] ZINC001148212227 932668588 /nfs/dbraw/zinc/66/85/88/932668588.db2.gz RTYYUDYQSUYYPN-UHFFFAOYSA-N -1 3 287.275 1.105 20 10 CDCDHM O=C(NC1(c2cnccn2)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590436 932755261 /nfs/dbraw/zinc/75/52/61/932755261.db2.gz JYVFGHMYWAXNNJ-UHFFFAOYSA-N -1 3 287.275 1.013 20 10 CDCDHM O=C(Nc1cccc(-n2cnnc2)c1)c1cccc(O)c1[O-] ZINC001123926777 936248168 /nfs/dbraw/zinc/24/81/68/936248168.db2.gz XJNNTORADJYMRC-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM Cn1cc([N+](=O)[O-])c(C(=O)NCc2c([O-])cccc2F)n1 ZINC001156171110 938327974 /nfs/dbraw/zinc/32/79/74/938327974.db2.gz WWMNKRMCSMMKNY-UHFFFAOYSA-N -1 3 294.242 1.103 20 10 CDCDHM N[C@H]1CN(Cc2cc(F)cc(Cl)c2[O-])C[C@H]1F ZINC001204843014 939797447 /nfs/dbraw/zinc/79/74/47/939797447.db2.gz IIKITODBXGUGAL-ZJUUUORDSA-N -1 3 262.687 1.666 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001231446840 942892410 /nfs/dbraw/zinc/89/24/10/942892410.db2.gz LOKHKYOBEFFWNA-RYUDHWBXSA-N -1 3 283.299 1.385 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001231446840 942892411 /nfs/dbraw/zinc/89/24/11/942892411.db2.gz LOKHKYOBEFFWNA-RYUDHWBXSA-N -1 3 283.299 1.385 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CO)c([O-])c1 ZINC001231448629 942895088 /nfs/dbraw/zinc/89/50/88/942895088.db2.gz LRRLXBATZTZRQE-GFCCVEGCSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2CO)c([O-])c1 ZINC001231448629 942895090 /nfs/dbraw/zinc/89/50/90/942895090.db2.gz LRRLXBATZTZRQE-GFCCVEGCSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC001231566307 942932659 /nfs/dbraw/zinc/93/26/59/942932659.db2.gz XCTUTFYXJIIBNS-SMDDNHRTSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC001231566307 942932662 /nfs/dbraw/zinc/93/26/62/942932662.db2.gz XCTUTFYXJIIBNS-SMDDNHRTSA-N -1 3 277.320 1.701 20 10 CDCDHM COC(=O)[C@H](C)N(C)Cc1cc(Cl)c([O-])cc1O ZINC001232262929 943194101 /nfs/dbraw/zinc/19/41/01/943194101.db2.gz WJMQMXIUONCQSO-ZETCQYMHSA-N -1 3 273.716 1.745 20 10 CDCDHM COC(=O)C1CN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232266251 943195363 /nfs/dbraw/zinc/19/53/63/943195363.db2.gz KZXYEUXTJZWAPQ-UHFFFAOYSA-N -1 3 285.727 1.659 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC001233076788 943485113 /nfs/dbraw/zinc/48/51/13/943485113.db2.gz VDWRATXWTBMETJ-FZMZJTMJSA-N -1 3 287.306 1.236 20 10 CDCDHM CC(=O)NCC[N@H+](Cc1ccc(C)cc1[O-])[C@H](C)C(=O)[O-] ZINC001588515185 958793096 /nfs/dbraw/zinc/79/30/96/958793096.db2.gz XGFYRASPZHKMKJ-LLVKDONJSA-N -1 3 294.351 1.112 20 10 CDCDHM CC(=O)NCC[N@@H+](Cc1ccc(C)cc1[O-])[C@H](C)C(=O)[O-] ZINC001588515185 958793101 /nfs/dbraw/zinc/79/31/01/958793101.db2.gz XGFYRASPZHKMKJ-LLVKDONJSA-N -1 3 294.351 1.112 20 10 CDCDHM O=C([O-])[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC001350610113 966709921 /nfs/dbraw/zinc/70/99/21/966709921.db2.gz DCNAAYIRTQZUJC-YPMHNXCESA-N -1 3 265.309 1.362 20 10 CDCDHM C[C@@H](C(=O)[O-])[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC001609718453 970497580 /nfs/dbraw/zinc/49/75/80/970497580.db2.gz RWLTZGDQNUOCBJ-QMMMGPOBSA-N -1 3 253.273 1.969 20 10 CDCDHM C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC001609718453 970497583 /nfs/dbraw/zinc/49/75/83/970497583.db2.gz RWLTZGDQNUOCBJ-QMMMGPOBSA-N -1 3 253.273 1.969 20 10 CDCDHM C[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265620 994573552 /nfs/dbraw/zinc/57/35/52/994573552.db2.gz VFJAUDFOESXMFH-JTQLQIEISA-N -1 3 294.351 1.609 20 10 CDCDHM CO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001599125051 997826142 /nfs/dbraw/zinc/82/61/42/997826142.db2.gz YNBZPZATKURYBQ-QWHCGFSZSA-N -1 3 279.336 1.765 20 10 CDCDHM CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001599125051 997826155 /nfs/dbraw/zinc/82/61/55/997826155.db2.gz YNBZPZATKURYBQ-QWHCGFSZSA-N -1 3 279.336 1.765 20 10 CDCDHM COc1ccc(CN2CC(C)(C(=O)[O-])C2)c(O)c1OC ZINC001599559996 998174152 /nfs/dbraw/zinc/17/41/52/998174152.db2.gz ZZSLAMHEYLULIW-UHFFFAOYSA-N -1 3 281.308 1.316 20 10 CDCDHM CN(C)C(=O)[C@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000179895324 357229418 /nfs/dbraw/zinc/22/94/18/357229418.db2.gz RHBASPFFJHRIIM-GFCCVEGCSA-N -1 3 266.316 1.584 20 10 CDCDHM COC(=O)[C@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000179904069 357230105 /nfs/dbraw/zinc/23/01/05/357230105.db2.gz HWIHCASRTKNHOJ-LLVKDONJSA-N -1 3 253.273 1.669 20 10 CDCDHM C[C@H](c1nnnn1C1CC1)N(C)Cc1ccccc1[O-] ZINC000192102805 358175608 /nfs/dbraw/zinc/17/56/08/358175608.db2.gz JPMQCZQBKQCNEI-SNVBAGLBSA-N -1 3 273.340 1.907 20 10 CDCDHM Cc1ccc(C(=O)N2CC(O)(C3CC3)C2)c([O-])c1O ZINC000365476226 359480196 /nfs/dbraw/zinc/48/01/96/359480196.db2.gz YPWBFHLBVPGODM-UHFFFAOYSA-N -1 3 263.293 1.003 20 10 CDCDHM CCN(Cc1cc(F)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179883363 365000428 /nfs/dbraw/zinc/00/04/28/365000428.db2.gz XFOYARKEYWLXMM-LBPRGKRZSA-N -1 3 287.356 1.540 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCO[C@@H](CO)C2)c1[O-] ZINC000271694937 364994113 /nfs/dbraw/zinc/99/41/13/364994113.db2.gz ALZZKPPVNYFLBM-GFCCVEGCSA-N -1 3 271.744 1.547 20 10 CDCDHM Cc1ccc(C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c([O-])c1O ZINC000272801498 365403827 /nfs/dbraw/zinc/40/38/27/365403827.db2.gz YONKCDMEGCZAPM-ARNPGYACSA-N -1 3 297.376 1.388 20 10 CDCDHM CN(Cc1ccccc1[O-])C[C@H]1CCCS(=O)(=O)C1 ZINC000284104553 368479147 /nfs/dbraw/zinc/47/91/47/368479147.db2.gz MRFSBQYDQCMQJG-GFCCVEGCSA-N -1 3 283.393 1.649 20 10 CDCDHM CNC(=O)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000297479260 371995626 /nfs/dbraw/zinc/99/56/26/371995626.db2.gz TZWMMNFSQZNILB-UHFFFAOYSA-N -1 3 254.717 1.223 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@@H]2C)c([O-])c1O ZINC000267582164 391199576 /nfs/dbraw/zinc/19/95/76/391199576.db2.gz LASRZDBHVAEWFF-VIFPVBQESA-N -1 3 251.282 1.267 20 10 CDCDHM [O-]c1cc2c(cc1CN1CCC[C@H]1c1ncon1)OCO2 ZINC000360156388 391643168 /nfs/dbraw/zinc/64/31/68/391643168.db2.gz CTJWWQSVXCKUMW-JTQLQIEISA-N -1 3 289.291 1.841 20 10 CDCDHM O=C(NCC1(O)CCCCCC1)c1cccc(O)c1[O-] ZINC000126626089 260354785 /nfs/dbraw/zinc/35/47/85/260354785.db2.gz RKNXPEWOHOXRFP-UHFFFAOYSA-N -1 3 279.336 1.913 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)c([O-])c1O ZINC000179536940 261794457 /nfs/dbraw/zinc/79/44/57/261794457.db2.gz KGLZLTOPKFAVIS-KOLCDFICSA-N -1 3 292.335 1.180 20 10 CDCDHM COC[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272546869 263006559 /nfs/dbraw/zinc/00/65/59/263006559.db2.gz AFNQIEOQQNYSIH-JTQLQIEISA-N -1 3 265.309 1.515 20 10 CDCDHM O=C(N[C@@H]1CCCSC1)c1cccc(O)c1[O-] ZINC000126558117 264222530 /nfs/dbraw/zinc/22/25/30/264222530.db2.gz OGDOKZNFAWUUJJ-MRVPVSSYSA-N -1 3 253.323 1.723 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)O)C2)c([O-])c1O ZINC000272954010 328202005 /nfs/dbraw/zinc/20/20/05/328202005.db2.gz IRKVCCCWXVXYDK-NXEZZACHSA-N -1 3 265.309 1.249 20 10 CDCDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000276885454 328219714 /nfs/dbraw/zinc/21/97/14/328219714.db2.gz GQENYVDEKDBZGY-UFBFGSQYSA-N -1 3 297.305 1.788 20 10 CDCDHM C[C@H](NCCS(=O)(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000230989898 333323264 /nfs/dbraw/zinc/32/32/64/333323264.db2.gz SZUVEBMXCGBEJS-VIFPVBQESA-N -1 3 290.360 1.073 20 10 CDCDHM CCN(CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278229446 521135324 /nfs/dbraw/zinc/13/53/24/521135324.db2.gz MMWTWJXAWLHGKD-UHFFFAOYSA-N -1 3 284.312 1.777 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](O)C2)c1[O-] ZINC000061711089 518287089 /nfs/dbraw/zinc/28/70/89/518287089.db2.gz SANIVBQHUCDKFF-LLVKDONJSA-N -1 3 253.273 1.301 20 10 CDCDHM CCCNC(=O)CN[C@H](C)c1ccc(F)cc1[O-] ZINC000062745915 519880753 /nfs/dbraw/zinc/88/07/53/519880753.db2.gz LTJAKRMAIJNQGO-SECBINFHSA-N -1 3 254.305 1.708 20 10 CDCDHM CCOCCOCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000276199333 519990882 /nfs/dbraw/zinc/99/08/82/519990882.db2.gz JUVKORQPOLEMEC-UHFFFAOYSA-N -1 3 283.324 1.223 20 10 CDCDHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2[O-])[C@@H]1OC ZINC000275230509 520360204 /nfs/dbraw/zinc/36/02/04/520360204.db2.gz FCIZAKONGVMFPA-GYSYKLTISA-N -1 3 295.335 1.328 20 10 CDCDHM CN(Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000096477923 523389042 /nfs/dbraw/zinc/38/90/42/523389042.db2.gz BOYUOORTZYJMBG-LLVKDONJSA-N -1 3 255.339 1.011 20 10 CDCDHM CN(Cc1nncn1C)Cc1c([O-])cccc1Cl ZINC000290120347 523611279 /nfs/dbraw/zinc/61/12/79/523611279.db2.gz IVECVHYHIYEPBV-UHFFFAOYSA-N -1 3 266.732 1.806 20 10 CDCDHM Cc1ccc(C(=O)N2CCn3cncc3C2)c([O-])c1O ZINC000291794828 526134075 /nfs/dbraw/zinc/13/40/75/526134075.db2.gz BESVYLITDDCSSS-UHFFFAOYSA-N -1 3 273.292 1.259 20 10 CDCDHM O=C(N[C@H]1CCCc2c[nH]nc21)c1cccc(O)c1[O-] ZINC000279687647 527041108 /nfs/dbraw/zinc/04/11/08/527041108.db2.gz BHMXAIPZJMSAJZ-JTQLQIEISA-N -1 3 273.292 1.628 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)[C@H](C)N1CCOCC1 ZINC000732288370 575087118 /nfs/dbraw/zinc/08/71/18/575087118.db2.gz QYVOEBKCQHQGBE-ZJUUUORDSA-N -1 3 284.381 1.293 20 10 CDCDHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000734179178 575160374 /nfs/dbraw/zinc/16/03/74/575160374.db2.gz UWAOSUAOZMPHIA-UWVGGRQHSA-N -1 3 296.392 1.831 20 10 CDCDHM CCOC(=O)C1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000771745589 575607169 /nfs/dbraw/zinc/60/71/69/575607169.db2.gz XAOZKDDZNUFQED-UHFFFAOYSA-N -1 3 269.322 1.527 20 10 CDCDHM CC(C)OC[C@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000771744689 575607215 /nfs/dbraw/zinc/60/72/15/575607215.db2.gz UBIJWZYISPRFOI-LLVKDONJSA-N -1 3 285.365 1.720 20 10 CDCDHM CS[C@@H](CO)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000769340434 576347628 /nfs/dbraw/zinc/34/76/28/576347628.db2.gz JVVUAWOPBUUOMA-MUWHJKNJSA-N -1 3 261.368 1.296 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCO[C@H](C(F)(F)F)C1 ZINC000740127677 576428939 /nfs/dbraw/zinc/42/89/39/576428939.db2.gz FURGBIBILYAYSQ-QMMMGPOBSA-N -1 3 281.255 1.857 20 10 CDCDHM COc1cc(Cl)cc(CN(C)[C@H]2CCNC2=O)c1[O-] ZINC000761205082 576559221 /nfs/dbraw/zinc/55/92/21/576559221.db2.gz QDRSYYXSTLXBJY-JTQLQIEISA-N -1 3 284.743 1.375 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)[C@@]2(CO)CCOC2)c1[O-] ZINC000763882456 576762985 /nfs/dbraw/zinc/76/29/85/576762985.db2.gz UFAKTNSAUQGOJA-OAHLLOKOSA-N -1 3 297.326 1.317 20 10 CDCDHM O=C(C1=CC(=O)CS1)N1CCc2nc[n-]c(=O)c2C1 ZINC000750793879 577006217 /nfs/dbraw/zinc/00/62/17/577006217.db2.gz FYNSZRQDKSCFKA-UHFFFAOYSA-N -1 3 277.305 1.148 20 10 CDCDHM C[C@@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000895326470 619563827 /nfs/dbraw/zinc/56/38/27/619563827.db2.gz YCMHYRHZKKQUQL-RNCFNFMXSA-N -1 3 289.734 1.502 20 10 CDCDHM C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001604638145 1163262277 /nfs/dbraw/zinc/26/22/77/1163262277.db2.gz VAFRBKPOMFBJON-DVYJOKAKSA-N -1 3 293.319 1.113 20 10 CDCDHM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001604638145 1163262282 /nfs/dbraw/zinc/26/22/82/1163262282.db2.gz VAFRBKPOMFBJON-DVYJOKAKSA-N -1 3 293.319 1.113 20 10 CDCDHM Cc1ccc(O)c(CNc2nnccc2-c2nnn[n-]2)c1 ZINC001605875528 1163703582 /nfs/dbraw/zinc/70/35/82/1163703582.db2.gz IECCBLAOIAXANY-UHFFFAOYSA-N -1 3 283.295 1.283 20 10 CDCDHM Cc1ccc(O)c(CNc2nnccc2-c2nn[n-]n2)c1 ZINC001605875528 1163703589 /nfs/dbraw/zinc/70/35/89/1163703589.db2.gz IECCBLAOIAXANY-UHFFFAOYSA-N -1 3 283.295 1.283 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001607326872 1164150119 /nfs/dbraw/zinc/15/01/19/1164150119.db2.gz VCNXXYJRQMNIRQ-WOFXILAISA-N -1 3 263.293 1.163 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001607326872 1164150123 /nfs/dbraw/zinc/15/01/23/1164150123.db2.gz VCNXXYJRQMNIRQ-WOFXILAISA-N -1 3 263.293 1.163 20 10 CDCDHM COc1ccc(CNc2ncccc2-c2nnn[n-]2)c(O)c1 ZINC001609356084 1164908668 /nfs/dbraw/zinc/90/86/68/1164908668.db2.gz NHNMOEPJPYQCFD-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1ccc(CNc2ncccc2-c2nn[n-]n2)c(O)c1 ZINC001609356084 1164908675 /nfs/dbraw/zinc/90/86/75/1164908675.db2.gz NHNMOEPJPYQCFD-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM O=C(NCc1ccccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC001593145270 1174027235 /nfs/dbraw/zinc/02/72/35/1174027235.db2.gz IMKCLMZVMXEURD-UHFFFAOYSA-N -1 3 295.302 1.502 20 10 CDCDHM O=C(NCc1ccccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC001593145270 1174027238 /nfs/dbraw/zinc/02/72/38/1174027238.db2.gz IMKCLMZVMXEURD-UHFFFAOYSA-N -1 3 295.302 1.502 20 10 CDCDHM O=C([O-])c1cn([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)nn1 ZINC001602498621 1175261041 /nfs/dbraw/zinc/26/10/41/1175261041.db2.gz DIVWWHJNLGLVAT-LLVKDONJSA-N -1 3 288.307 1.129 20 10 CDCDHM O=C([O-])c1cn([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nn1 ZINC001602498621 1175261047 /nfs/dbraw/zinc/26/10/47/1175261047.db2.gz DIVWWHJNLGLVAT-LLVKDONJSA-N -1 3 288.307 1.129 20 10 CDCDHM CCn1nncc1CNCc1cc(F)cc(F)c1[O-] ZINC000883184614 737232160 /nfs/dbraw/zinc/23/21/60/737232160.db2.gz AKZQCJIPUSCUDU-UHFFFAOYSA-N -1 3 268.267 1.572 20 10 CDCDHM NC(=O)CN(Cc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000708433582 737211717 /nfs/dbraw/zinc/21/17/17/737211717.db2.gz MOLZEEUACPLMCN-UHFFFAOYSA-N -1 3 284.306 1.900 20 10 CDCDHM Cc1ccc(C(=O)Nc2c[nH]c(C(N)=O)c2)c([O-])c1O ZINC000780968729 738005872 /nfs/dbraw/zinc/00/58/72/738005872.db2.gz HBHQESDTAPDDMY-UHFFFAOYSA-N -1 3 275.264 1.086 20 10 CDCDHM Cc1ccc(C(=O)Nc2nc3n(n2)CCCC3)c([O-])c1O ZINC000837198602 738596664 /nfs/dbraw/zinc/59/66/64/738596664.db2.gz VFKSHQBKKGWRFQ-UHFFFAOYSA-N -1 3 288.307 1.586 20 10 CDCDHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(O)cc1F ZINC000193340137 736383876 /nfs/dbraw/zinc/38/38/76/736383876.db2.gz HABOZKIUTKTBIW-ZETCQYMHSA-N -1 3 263.290 1.308 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](CO)c2ccccc21 ZINC000817782762 736394841 /nfs/dbraw/zinc/39/48/41/736394841.db2.gz NSQCVRFVDYPHNP-SNVBAGLBSA-N -1 3 285.299 1.834 20 10 CDCDHM C[C@H]1CO[C@H](CO)CN1Cc1cc(F)ccc1[O-] ZINC000779034165 736718971 /nfs/dbraw/zinc/71/89/71/736718971.db2.gz PLBNUSKYTILRCJ-CABZTGNLSA-N -1 3 255.289 1.113 20 10 CDCDHM CCn1cccc(CNC(=O)c2cccc(O)c2[O-])c1=O ZINC000790082243 736799980 /nfs/dbraw/zinc/79/99/80/736799980.db2.gz BOIRQNGVTOWAOA-UHFFFAOYSA-N -1 3 288.303 1.209 20 10 CDCDHM O=C(N[C@H]([C@H](CO)C1CC1)C1CC1)c1cccc(O)c1[O-] ZINC000834009093 737063814 /nfs/dbraw/zinc/06/38/14/737063814.db2.gz DSDUDSPQXCYKGA-OCCSQVGLSA-N -1 3 291.347 1.625 20 10 CDCDHM C[C@](O)(CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000187094884 737363667 /nfs/dbraw/zinc/36/36/67/737363667.db2.gz AVXJRFVIVWFXNQ-INIZCTEOSA-N -1 3 287.315 1.735 20 10 CDCDHM C[C@@H]1CCCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846246757 738267346 /nfs/dbraw/zinc/26/73/46/738267346.db2.gz RPKHWVHIEMLEAA-MRVPVSSYSA-N -1 3 276.296 1.117 20 10 CDCDHM Cc1cc([O-])c(CN2CCCNC(=O)C2)cc1Cl ZINC000824627512 739032049 /nfs/dbraw/zinc/03/20/49/739032049.db2.gz PBYQEXQWVQKASV-UHFFFAOYSA-N -1 3 268.744 1.676 20 10 CDCDHM CCN(CC(N)=O)Cc1cccc(Br)c1[O-] ZINC000188465987 899887844 /nfs/dbraw/zinc/88/78/44/899887844.db2.gz SCNRMEJUSYKKRQ-UHFFFAOYSA-N -1 3 287.157 1.462 20 10 CDCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1COC1 ZINC001181009603 916760425 /nfs/dbraw/zinc/76/04/25/916760425.db2.gz ISIMYYMNVOQUGP-UHFFFAOYSA-N -1 3 292.722 1.856 20 10 CDCDHM COC(=O)[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684635 936634918 /nfs/dbraw/zinc/63/49/18/936634918.db2.gz JZDXQPBWXFALED-QMMMGPOBSA-N -1 3 271.263 1.665 20 10 CDCDHM CCOCCS(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001187283487 920451075 /nfs/dbraw/zinc/45/10/75/920451075.db2.gz JZJACJKEPQZNOM-UHFFFAOYSA-N -1 3 281.280 1.449 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CCOC[C@@H](O)C1 ZINC001140463323 936712245 /nfs/dbraw/zinc/71/22/45/936712245.db2.gz ZYBJJPRKRSPZRP-NSHDSACASA-N -1 3 257.717 1.239 20 10 CDCDHM CCNC(=O)[C@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000708446038 923193723 /nfs/dbraw/zinc/19/37/23/923193723.db2.gz ZALDSHQBYWDLDU-ZETCQYMHSA-N -1 3 258.268 1.285 20 10 CDCDHM C[C@H](NC(=O)c1cnncc1[O-])c1ccccc1O ZINC001151900215 937316498 /nfs/dbraw/zinc/31/64/98/937316498.db2.gz LXOHHNWFWSHEJC-QMMMGPOBSA-N -1 3 259.265 1.379 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(C[C@H]2CCO)CC1 ZINC001148211944 932667219 /nfs/dbraw/zinc/66/72/19/932667219.db2.gz DOFZEIIZMMHTEH-LLVKDONJSA-N -1 3 291.347 1.723 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCC(=O)O2)CC1 ZINC001148213501 932668177 /nfs/dbraw/zinc/66/81/77/932668177.db2.gz DJIKNSYPXQIIAM-UHFFFAOYSA-N -1 3 291.303 1.410 20 10 CDCDHM Cc1ccc2c(c1NC(=O)c1cccc(O)c1[O-])CNC2=O ZINC001148218817 932669872 /nfs/dbraw/zinc/66/98/72/932669872.db2.gz MGFWNCGPOOWEFR-UHFFFAOYSA-N -1 3 298.298 1.902 20 10 CDCDHM O=C(NCc1nccc(Cl)n1)c1cccc(O)c1[O-] ZINC001148224006 932672220 /nfs/dbraw/zinc/67/22/20/932672220.db2.gz BBOUTURBAPXULN-UHFFFAOYSA-N -1 3 279.683 1.471 20 10 CDCDHM O=C(Nc1c[nH]c(Cl)cc1=O)c1cc(O)c([O-])c(O)c1 ZINC001148582197 932750538 /nfs/dbraw/zinc/75/05/38/932750538.db2.gz ZXHDWHDTKICEHJ-UHFFFAOYSA-N -1 3 296.666 1.810 20 10 CDCDHM Cn1cc([N+](=O)[O-])cc1C(=O)NCc1c([O-])cccc1F ZINC001156170714 938327592 /nfs/dbraw/zinc/32/75/92/938327592.db2.gz SROOYMDMRAHZHC-UHFFFAOYSA-N -1 3 293.254 1.708 20 10 CDCDHM CN(C)c1cc(F)c(CN(C)CC(=O)[O-])cc1F ZINC001593721487 954257727 /nfs/dbraw/zinc/25/77/27/954257727.db2.gz VSRBVVWXCXRCAZ-UHFFFAOYSA-N -1 3 258.268 1.547 20 10 CDCDHM O=C([O-])[C@@H](F)CNCc1ccc(N2CCOCC2)cc1 ZINC001339254209 962270513 /nfs/dbraw/zinc/27/05/13/962270513.db2.gz KVGDEKSHXLGLGK-ZDUSSCGKSA-N -1 3 282.315 1.036 20 10 CDCDHM O=C([O-])[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC001350610112 966710544 /nfs/dbraw/zinc/71/05/44/966710544.db2.gz DCNAAYIRTQZUJC-WCQYABFASA-N -1 3 265.309 1.362 20 10 CDCDHM CON(C)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599316749 997515710 /nfs/dbraw/zinc/51/57/10/997515710.db2.gz PRORZECWHRXFST-SECBINFHSA-N -1 3 268.313 1.234 20 10 CDCDHM CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605221133 1163491941 /nfs/dbraw/zinc/49/19/41/1163491941.db2.gz IKHAMXCTCXNKSB-GXSJLCMTSA-N -1 3 267.325 1.902 20 10 CDCDHM Cc1ccc(C(=O)NCCCC(=O)OC(C)C)c([O-])c1O ZINC000274326429 365624332 /nfs/dbraw/zinc/62/43/32/365624332.db2.gz YQKUFURKBLFLLM-UHFFFAOYSA-N -1 3 295.335 1.868 20 10 CDCDHM C[C@@H]1CCN(Cc2cc(F)ccc2[O-])CCS1(=O)=O ZINC000192049053 358171486 /nfs/dbraw/zinc/17/14/86/358171486.db2.gz VZGMVFZMHLZTEY-SNVBAGLBSA-N -1 3 287.356 1.540 20 10 CDCDHM CC(C)[C@H](O)C(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000193147281 358270320 /nfs/dbraw/zinc/27/03/20/358270320.db2.gz NMYXQZXWPOHPKM-ZDUSSCGKSA-N -1 3 281.352 1.871 20 10 CDCDHM CCCCCN(CC(N)=O)C(=O)c1cccc(O)c1[O-] ZINC000193156766 358270353 /nfs/dbraw/zinc/27/03/53/358270353.db2.gz LKKGDJYVXBQSLN-UHFFFAOYSA-N -1 3 280.324 1.216 20 10 CDCDHM Cc1ccc(C(=O)NCC2([S@@](C)=O)CCC2)c([O-])c1O ZINC000281716607 367677648 /nfs/dbraw/zinc/67/76/48/367677648.db2.gz DVHWARAODHTTDT-HXUWFJFHSA-N -1 3 297.376 1.437 20 10 CDCDHM CN(CCOCCO)Cc1c([O-])cccc1Cl ZINC000282684407 367991875 /nfs/dbraw/zinc/99/18/75/367991875.db2.gz IMWSTTOYZILMHH-UHFFFAOYSA-N -1 3 259.733 1.486 20 10 CDCDHM COCCc1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000109769763 390648844 /nfs/dbraw/zinc/64/88/44/390648844.db2.gz QJSJJSKXDCUGFK-UHFFFAOYSA-N -1 3 277.324 1.596 20 10 CDCDHM [O-]c1ccccc1CN(CC1OCCO1)C[C@H]1CCCO1 ZINC000182651010 391238583 /nfs/dbraw/zinc/23/85/83/391238583.db2.gz MDNKJYHSIXNSIB-CQSZACIVSA-N -1 3 293.363 1.746 20 10 CDCDHM Cn1cnnc1[C@H]1CCCN1Cc1ccccc1[O-] ZINC000179582800 391213091 /nfs/dbraw/zinc/21/30/91/391213091.db2.gz TWMGWPLEMTZZBA-GFCCVEGCSA-N -1 3 258.325 1.858 20 10 CDCDHM CC(C)SCCNC(=O)c1cccc(O)c1[O-] ZINC000286800770 392032218 /nfs/dbraw/zinc/03/22/18/392032218.db2.gz SPDMKOCGYSNRJT-UHFFFAOYSA-N -1 3 255.339 1.969 20 10 CDCDHM O=C(NCC1(O)CCCCC1)c1cccc(O)c1[O-] ZINC000126624192 260354650 /nfs/dbraw/zinc/35/46/50/260354650.db2.gz GLKANKPMMGSUIM-UHFFFAOYSA-N -1 3 265.309 1.523 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[C@@H]1O ZINC001142509051 1160689077 /nfs/dbraw/zinc/68/90/77/1160689077.db2.gz VLCKTOKRVVKPQP-UFBFGSQYSA-N -1 3 257.280 1.873 20 10 CDCDHM CCOC(=O)[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000279408184 521189290 /nfs/dbraw/zinc/18/92/90/521189290.db2.gz XBDOWKYJJPYRIS-MRVPVSSYSA-N -1 3 267.281 1.027 20 10 CDCDHM CCc1nnc(CNC(=O)c2cccc(O)c2[O-])s1 ZINC000291850288 522739240 /nfs/dbraw/zinc/73/92/40/522739240.db2.gz DNCOYIJOQWUVKE-UHFFFAOYSA-N -1 3 279.321 1.442 20 10 CDCDHM CSCCONC(=O)c1ccc(C)c(O)c1[O-] ZINC000280053670 525517948 /nfs/dbraw/zinc/51/79/48/525517948.db2.gz QEJQKYVNOLPRFX-UHFFFAOYSA-N -1 3 257.311 1.431 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](O)C[C@H]1CO ZINC000364867284 527599269 /nfs/dbraw/zinc/59/92/69/527599269.db2.gz XDSKJWYLAXPBHQ-YUMQZZPRSA-N -1 3 275.707 1.112 20 10 CDCDHM CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000752820056 574725981 /nfs/dbraw/zinc/72/59/81/574725981.db2.gz GNNSUVKZCFZKQG-UHFFFAOYSA-N -1 3 298.364 1.294 20 10 CDCDHM CNC(=O)c1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000731868569 575068741 /nfs/dbraw/zinc/06/87/41/575068741.db2.gz JTVMGQXKGRNOKK-UHFFFAOYSA-N -1 3 290.344 1.743 20 10 CDCDHM CC(C)[C@@H](C)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731909159 575069967 /nfs/dbraw/zinc/06/99/67/575069967.db2.gz BNDLTLFJZTYIIK-MRVPVSSYSA-N -1 3 271.338 1.771 20 10 CDCDHM O=C(NCCCOC[C@H]1CCCO1)c1cc([O-])cs1 ZINC000732259632 575084563 /nfs/dbraw/zinc/08/45/63/575084563.db2.gz SWBAVSOLFUNQMP-LLVKDONJSA-N -1 3 285.365 1.769 20 10 CDCDHM CCN1C(=S)N=NC1CCNC(=O)c1cc([O-])cs1 ZINC000732288950 575087212 /nfs/dbraw/zinc/08/72/12/575087212.db2.gz ZDMFTTBWDBMXFX-UHFFFAOYSA-N -1 3 298.393 1.326 20 10 CDCDHM COC(=O)c1cccc(COC(=O)c2cc([O-])cs2)n1 ZINC000773433389 575809869 /nfs/dbraw/zinc/80/98/69/575809869.db2.gz VVCNCLXFRVKGQP-UHFFFAOYSA-N -1 3 293.300 1.992 20 10 CDCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)[C@H](O)C(F)(F)F ZINC000766249772 576088728 /nfs/dbraw/zinc/08/87/28/576088728.db2.gz PNEYPKXDBHSNOQ-SVRRBLITSA-N -1 3 283.271 1.885 20 10 CDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768442589 576283304 /nfs/dbraw/zinc/28/33/04/576283304.db2.gz UPPYBQLEORUDCF-NOZJJQNGSA-N -1 3 265.309 1.039 20 10 CDCDHM C[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768442593 576283711 /nfs/dbraw/zinc/28/37/11/576283711.db2.gz UPPYBQLEORUDCF-TVQRCGJNSA-N -1 3 265.309 1.039 20 10 CDCDHM CCCN(CC(=O)NC)Cc1c([O-])cccc1OC ZINC000768998556 576321313 /nfs/dbraw/zinc/32/13/13/576321313.db2.gz IBKLMGXUCNVIGU-UHFFFAOYSA-N -1 3 266.341 1.359 20 10 CDCDHM COc1cccc([O-])c1CN(C)CCN1CCCC1=O ZINC000769389262 576351011 /nfs/dbraw/zinc/35/10/11/576351011.db2.gz OVAXDEGMZZWSDO-UHFFFAOYSA-N -1 3 278.352 1.455 20 10 CDCDHM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000743482153 576641306 /nfs/dbraw/zinc/64/13/06/576641306.db2.gz OOWBCPRAAIDJHK-UFBFGSQYSA-N -1 3 257.355 1.981 20 10 CDCDHM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc([O-])cs1 ZINC000748299264 576904236 /nfs/dbraw/zinc/90/42/36/576904236.db2.gz QEQKPJSKMFOBNJ-AAEUAGOBSA-N -1 3 275.329 1.842 20 10 CDCDHM Cc1ccnc(COC(=O)c2cc([O-])cs2)n1 ZINC000756191687 576981008 /nfs/dbraw/zinc/98/10/08/576981008.db2.gz TZTNFLIHAFOJDV-UHFFFAOYSA-N -1 3 250.279 1.909 20 10 CDCDHM O=C(NC1CC1)[C@H]1CCCN1Cc1cc(F)cc(F)c1[O-] ZINC000893954905 618221368 /nfs/dbraw/zinc/22/13/68/618221368.db2.gz QKZPCWLEPQQUKW-CYBMUJFWSA-N -1 3 296.317 1.913 20 10 CDCDHM C[C@@H]1COCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000804616881 618649877 /nfs/dbraw/zinc/64/98/77/618649877.db2.gz DDMFVYMDKHFRHD-ZJUUUORDSA-N -1 3 265.309 1.500 20 10 CDCDHM C[C@]1(CO)C[C@H](O)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000895326471 619564313 /nfs/dbraw/zinc/56/43/13/619564313.db2.gz YCMHYRHZKKQUQL-TVQRCGJNSA-N -1 3 289.734 1.502 20 10 CDCDHM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001608696622 1164608620 /nfs/dbraw/zinc/60/86/20/1164608620.db2.gz LEPHTNZKDQYIMY-GXFFZTMASA-N -1 3 293.319 1.257 20 10 CDCDHM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001608696622 1164608622 /nfs/dbraw/zinc/60/86/22/1164608622.db2.gz LEPHTNZKDQYIMY-GXFFZTMASA-N -1 3 293.319 1.257 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1COC[C@H]1O ZINC000865666736 1164677799 /nfs/dbraw/zinc/67/77/99/1164677799.db2.gz UZRPFDSIKAXBSK-WCBMZHEXSA-N -1 3 261.680 1.034 20 10 CDCDHM C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978355 1173218833 /nfs/dbraw/zinc/21/88/33/1173218833.db2.gz OEGZTOWGBOFIDS-NUPCCRGMSA-N -1 3 289.339 1.136 20 10 CDCDHM C[C@@H]1OCC[C@]1(C)NC(=O)c1cccc(O)c1[O-] ZINC000229417760 739878383 /nfs/dbraw/zinc/87/83/83/739878383.db2.gz OEFQDXOEUTVGBP-SDBXPKJASA-N -1 3 251.282 1.395 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@H](CO)C2)c1[O-] ZINC000248881410 740232917 /nfs/dbraw/zinc/23/29/17/740232917.db2.gz WYPNGWGCWSTBNT-RNCFNFMXSA-N -1 3 297.326 1.316 20 10 CDCDHM Cc1noc([C@@H](C)N(C)C(=O)c2cccc(O)c2[O-])n1 ZINC000848323079 740354030 /nfs/dbraw/zinc/35/40/30/740354030.db2.gz BPPGZMXDRKAXFH-SSDOTTSWSA-N -1 3 277.280 1.622 20 10 CDCDHM CC(=O)N[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000228357032 740851017 /nfs/dbraw/zinc/85/10/17/740851017.db2.gz ORVMCUFZCWBHAF-LLVKDONJSA-N -1 3 252.289 1.242 20 10 CDCDHM CC[C@]1(NC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000386094711 741302866 /nfs/dbraw/zinc/30/28/66/741302866.db2.gz PZLCICVEWZTYLR-ZDUSSCGKSA-N -1 3 251.282 1.397 20 10 CDCDHM Cn1nc(CNC(=O)c2cccc(O)c2[O-])cc1C1CC1 ZINC000885908136 741461942 /nfs/dbraw/zinc/46/19/42/741461942.db2.gz ZBMVKKZROQAWNP-UHFFFAOYSA-N -1 3 287.319 1.639 20 10 CDCDHM CCc1cc(NC(=O)c2cccc(O)c2[O-])n(C)n1 ZINC000193074275 741519818 /nfs/dbraw/zinc/51/98/18/741519818.db2.gz ZMQYDTZPVQIUHJ-UHFFFAOYSA-N -1 3 261.281 1.646 20 10 CDCDHM O=C(N[C@H]1CC12CCOCC2)c1cccc(O)c1[O-] ZINC000386979735 741724925 /nfs/dbraw/zinc/72/49/25/741724925.db2.gz IDMUIXGAJOLIOS-NSHDSACASA-N -1 3 263.293 1.397 20 10 CDCDHM COCc1nsc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790928339 739342123 /nfs/dbraw/zinc/34/21/23/739342123.db2.gz SYCZTYIORIIZSI-UHFFFAOYSA-N -1 3 281.293 1.348 20 10 CDCDHM CC(=O)N1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000794023486 739553822 /nfs/dbraw/zinc/55/38/22/739553822.db2.gz SNGNNPHQXIOJEL-NSHDSACASA-N -1 3 292.335 1.086 20 10 CDCDHM NC(=O)C1(NCc2c([O-])cccc2Br)CC1 ZINC000862324429 740343129 /nfs/dbraw/zinc/34/31/29/740343129.db2.gz MJTQNSURCINHFR-UHFFFAOYSA-N -1 3 285.141 1.262 20 10 CDCDHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876594916 740708532 /nfs/dbraw/zinc/70/85/32/740708532.db2.gz UBENAKYJUCTNRP-SECBINFHSA-N -1 3 271.263 1.665 20 10 CDCDHM COC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])CC(C)C ZINC000790776150 740967813 /nfs/dbraw/zinc/96/78/13/740967813.db2.gz FOKNVTIOUPZMEP-SNVBAGLBSA-N -1 3 295.335 1.663 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1C1OCCO1 ZINC000790621369 742028834 /nfs/dbraw/zinc/02/88/34/742028834.db2.gz ODPZTQIIWGTGDI-LLVKDONJSA-N -1 3 293.319 1.465 20 10 CDCDHM Cc1nn(C)cc1CNC(=O)c1cccc(O)c1[O-] ZINC000126524311 742459906 /nfs/dbraw/zinc/45/99/06/742459906.db2.gz WEEDVLGEALCQNE-UHFFFAOYSA-N -1 3 261.281 1.070 20 10 CDCDHM CC1CCC(O)(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000126624429 1166068586 /nfs/dbraw/zinc/06/85/86/1166068586.db2.gz YHLWVOVUEIWUMP-UHFFFAOYSA-N -1 3 279.336 1.769 20 10 CDCDHM C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604213195 1167853949 /nfs/dbraw/zinc/85/39/49/1167853949.db2.gz DSXHXYJCNJZVPV-IXGDSRDXSA-N -1 3 285.365 1.508 20 10 CDCDHM [O-]c1cc(O)c(CN2CCC3(C2)OCCO3)cc1Cl ZINC001232261045 912071670 /nfs/dbraw/zinc/07/16/70/912071670.db2.gz AMZDZNOLZZDRJV-UHFFFAOYSA-N -1 3 285.727 1.700 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN(c2ncncn2)CC1 ZINC001138130852 936476952 /nfs/dbraw/zinc/47/69/52/936476952.db2.gz JNDOQMGBJAENLX-UHFFFAOYSA-N -1 3 289.314 1.039 20 10 CDCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(C)(CO)C1 ZINC001139126369 936599848 /nfs/dbraw/zinc/59/98/48/936599848.db2.gz DZJZZOWOPOEKRK-UHFFFAOYSA-N -1 3 289.331 1.621 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])c(F)ccc2F)CC[C@H]1O ZINC001139685853 936635700 /nfs/dbraw/zinc/63/57/00/936635700.db2.gz ZBCLVQZLDJDLTE-QPUJVOFHSA-N -1 3 257.280 1.873 20 10 CDCDHM Cc1oncc1S(=O)(=O)[N-]Cc1ccccc1O ZINC001187388978 920540532 /nfs/dbraw/zinc/54/05/32/920540532.db2.gz OEDMGSNRBQRHQT-UHFFFAOYSA-N -1 3 268.294 1.167 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])cc(F)cc2F)CC[C@H]1O ZINC001140582251 936727258 /nfs/dbraw/zinc/72/72/58/936727258.db2.gz FQORWVYXOURLAL-QPUJVOFHSA-N -1 3 257.280 1.873 20 10 CDCDHM O=C(CNCc1cc(F)cc(F)c1[O-])NCC1CC1 ZINC000708556968 923203021 /nfs/dbraw/zinc/20/30/21/923203021.db2.gz ZZLCHIQWKJMHAR-UHFFFAOYSA-N -1 3 270.279 1.286 20 10 CDCDHM Cc1nc(Cl)cc(NC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148581254 932751627 /nfs/dbraw/zinc/75/16/27/932751627.db2.gz PQCVSNFQHVDINW-UHFFFAOYSA-N -1 3 295.682 1.808 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC001148584022 932752858 /nfs/dbraw/zinc/75/28/58/932752858.db2.gz LAWJAERJKILKRU-AOOOYVTPSA-N -1 3 291.303 1.530 20 10 CDCDHM CCOC(CCNC(=O)c1cc(O)c([O-])c(O)c1)OCC ZINC001148589816 932755006 /nfs/dbraw/zinc/75/50/06/932755006.db2.gz MGAUOZXDCPUZNK-UHFFFAOYSA-N -1 3 299.323 1.322 20 10 CDCDHM C[C@H](O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000688865414 934740407 /nfs/dbraw/zinc/74/04/07/934740407.db2.gz XOGTVUVSXPHYLC-UWVGGRQHSA-N -1 3 265.309 1.331 20 10 CDCDHM Cc1nccn1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001159041435 938695178 /nfs/dbraw/zinc/69/51/78/938695178.db2.gz MUAPOCZSFLCGJU-UHFFFAOYSA-N -1 3 279.727 1.867 20 10 CDCDHM CCOC(=O)c1[n-]cnc1NC(=O)Cc1ccc(N)cc1 ZINC001218559373 941236802 /nfs/dbraw/zinc/23/68/02/941236802.db2.gz NDCWWQPSGCKPFD-UHFFFAOYSA-N -1 3 288.307 1.350 20 10 CDCDHM CCOC(=O)c1nc[n-]c1NC(=O)Cc1ccc(N)cc1 ZINC001218559373 941236804 /nfs/dbraw/zinc/23/68/04/941236804.db2.gz NDCWWQPSGCKPFD-UHFFFAOYSA-N -1 3 288.307 1.350 20 10 CDCDHM C[C@]1(CO)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447482 942892323 /nfs/dbraw/zinc/89/23/23/942892323.db2.gz VLZRJYMKFNKIPF-AWEZNQCLSA-N -1 3 265.309 1.295 20 10 CDCDHM C[C@]1(CO)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447482 942892327 /nfs/dbraw/zinc/89/23/27/942892327.db2.gz VLZRJYMKFNKIPF-AWEZNQCLSA-N -1 3 265.309 1.295 20 10 CDCDHM COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455015 942899592 /nfs/dbraw/zinc/89/95/92/942899592.db2.gz LOYCGBSIXVLRNO-LBPRGKRZSA-N -1 3 293.319 1.618 20 10 CDCDHM COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455015 942899595 /nfs/dbraw/zinc/89/95/95/942899595.db2.gz LOYCGBSIXVLRNO-LBPRGKRZSA-N -1 3 293.319 1.618 20 10 CDCDHM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1(C)COC1 ZINC001231565045 942931395 /nfs/dbraw/zinc/93/13/95/942931395.db2.gz OPBYHQOYEQDCSW-UHFFFAOYSA-N -1 3 265.309 1.559 20 10 CDCDHM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1(C)COC1 ZINC001231565045 942931400 /nfs/dbraw/zinc/93/14/00/942931400.db2.gz OPBYHQOYEQDCSW-UHFFFAOYSA-N -1 3 265.309 1.559 20 10 CDCDHM [O-]c1cc(O)c(CN2C[C@H](F)C[C@H](CO)C2)cc1Cl ZINC001232260425 943193238 /nfs/dbraw/zinc/19/32/38/943193238.db2.gz QADPWNFGSQMMMI-WCBMZHEXSA-N -1 3 289.734 1.904 20 10 CDCDHM COc1cc([O-])c(CN2CC(OC(C)=O)C2)cc1Cl ZINC001232264162 943195356 /nfs/dbraw/zinc/19/53/56/943195356.db2.gz FQCMFWBERIBERU-UHFFFAOYSA-N -1 3 285.727 1.802 20 10 CDCDHM NC(=O)[C@H]1CCCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232267569 943197366 /nfs/dbraw/zinc/19/73/66/943197366.db2.gz JQTNVUUPSJRBIV-SNVBAGLBSA-N -1 3 284.743 1.591 20 10 CDCDHM C[C@@]1(CO)CN(Cc2ccc(F)c(F)c2[O-])CC[C@@H]1O ZINC001233076516 943485184 /nfs/dbraw/zinc/48/51/84/943485184.db2.gz PYWDUCLXHNKFBH-FZMZJTMJSA-N -1 3 287.306 1.236 20 10 CDCDHM CC(=O)N[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237940474 945011135 /nfs/dbraw/zinc/01/11/35/945011135.db2.gz MALQPSHDOKHGIK-JTQLQIEISA-N -1 3 286.734 1.895 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001604870819 974117871 /nfs/dbraw/zinc/11/78/71/974117871.db2.gz BVGSBYANRIDCEH-MNOVXSKESA-N -1 3 279.336 1.943 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001604870819 974117877 /nfs/dbraw/zinc/11/78/77/974117877.db2.gz BVGSBYANRIDCEH-MNOVXSKESA-N -1 3 279.336 1.943 20 10 CDCDHM CCCN(Cc1ccccc1O)C(=O)[C@H](N)CCC(=O)[O-] ZINC001595891173 982924506 /nfs/dbraw/zinc/92/45/06/982924506.db2.gz NJGCADMCFBHZHU-GFCCVEGCSA-N -1 3 294.351 1.323 20 10 CDCDHM COc1cc(C)c(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c([O-])c1 ZINC001599391279 997041020 /nfs/dbraw/zinc/04/10/20/997041020.db2.gz OXFRIJOUAUKSAN-IMRBUKKESA-N -1 3 277.320 1.472 20 10 CDCDHM COc1cc(C)c(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c([O-])c1 ZINC001599391279 997041035 /nfs/dbraw/zinc/04/10/35/997041035.db2.gz OXFRIJOUAUKSAN-IMRBUKKESA-N -1 3 277.320 1.472 20 10 CDCDHM CCOC(=O)c1nn(C)cc1CNCc1ccccc1[O-] ZINC000274440813 365667800 /nfs/dbraw/zinc/66/78/00/365667800.db2.gz BWNTWCVRRUBGOX-UHFFFAOYSA-N -1 3 289.335 1.592 20 10 CDCDHM COCCN(CC(F)F)C(=O)c1cccc(O)c1[O-] ZINC000187073556 357724824 /nfs/dbraw/zinc/72/48/24/357724824.db2.gz FSCOYDIRZDBXPT-UHFFFAOYSA-N -1 3 275.251 1.452 20 10 CDCDHM C[C@H]1[C@@H](NCc2c([O-])cccc2Cl)CCS1(=O)=O ZINC000294057294 358669340 /nfs/dbraw/zinc/66/93/40/358669340.db2.gz XMZFVJFLJXCWRV-KWQFWETISA-N -1 3 289.784 1.711 20 10 CDCDHM COC[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000271184372 364965663 /nfs/dbraw/zinc/96/56/63/364965663.db2.gz MMJWSQUZEBISNN-SNVBAGLBSA-N -1 3 271.744 1.893 20 10 CDCDHM Cc1ccc(C(=O)N2CCO[C@H]3CCC[C@H]32)c([O-])c1O ZINC000272765318 365387815 /nfs/dbraw/zinc/38/78/15/365387815.db2.gz LZUQCGIKELVVCV-NEPJUHHUSA-N -1 3 277.320 1.800 20 10 CDCDHM CCCN(CC(=O)OCC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272783085 365396736 /nfs/dbraw/zinc/39/67/36/365396736.db2.gz VNIFRRMLFLOQRL-UHFFFAOYSA-N -1 3 295.335 1.822 20 10 CDCDHM CC[C@@](C)(NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000272740400 365375837 /nfs/dbraw/zinc/37/58/37/365375837.db2.gz IIVPBUNIIFVNTE-CQSZACIVSA-N -1 3 281.308 1.478 20 10 CDCDHM O=C(NC1CC1)N[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000273718694 365520990 /nfs/dbraw/zinc/52/09/90/365520990.db2.gz HSCXLFQZHFXASA-CYBMUJFWSA-N -1 3 293.342 1.567 20 10 CDCDHM CS(=O)(=O)[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000282667123 367982853 /nfs/dbraw/zinc/98/28/53/367982853.db2.gz HGGAJTSTFWFBSX-LLVKDONJSA-N -1 3 273.329 1.150 20 10 CDCDHM C[C@@H](NCC(=O)NCC(F)F)c1ccc(F)c(F)c1[O-] ZINC000280181539 296116185 /nfs/dbraw/zinc/11/61/85/296116185.db2.gz AFTHTDCMROHIIE-ZCFIWIBFSA-N -1 3 294.248 1.702 20 10 CDCDHM CC(C)NC(=O)OC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000288297736 369428675 /nfs/dbraw/zinc/42/86/75/369428675.db2.gz SXPJEKNIUKBVBA-UHFFFAOYSA-N -1 3 294.307 1.057 20 10 CDCDHM CCN1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294819501 371093222 /nfs/dbraw/zinc/09/32/22/371093222.db2.gz GOUCDIPPWYHJCG-SNVBAGLBSA-N -1 3 296.342 1.841 20 10 CDCDHM CN(C)C(=O)O[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000295510240 371317978 /nfs/dbraw/zinc/31/79/78/371317978.db2.gz PVPMKMAQIYFEAE-VIFPVBQESA-N -1 3 294.307 1.011 20 10 CDCDHM CS(=O)(=O)C[C@@H]1CCCN(Cc2ccccc2[O-])C1 ZINC000293948660 371349258 /nfs/dbraw/zinc/34/92/58/371349258.db2.gz OWASRELPVWNVJF-GFCCVEGCSA-N -1 3 283.393 1.649 20 10 CDCDHM C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000270460550 391275092 /nfs/dbraw/zinc/27/50/92/391275092.db2.gz FMLAYVRLEXDVRV-JTQLQIEISA-N -1 3 294.229 1.703 20 10 CDCDHM O=C(CNCc1cc(Br)ccc1[O-])NC1CC1 ZINC000227436459 392018798 /nfs/dbraw/zinc/01/87/98/392018798.db2.gz LBCRQAHUSCQSCQ-UHFFFAOYSA-N -1 3 299.168 1.523 20 10 CDCDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])CCCC[C@@H]1O ZINC000185794709 262071261 /nfs/dbraw/zinc/07/12/61/262071261.db2.gz XDYACQMHRYIXNN-SWLSCSKDSA-N -1 3 279.336 1.769 20 10 CDCDHM C[C@H]1COCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000365757966 327410329 /nfs/dbraw/zinc/41/03/29/327410329.db2.gz LMEIPXCRLMZKGO-SECBINFHSA-N -1 3 251.282 1.206 20 10 CDCDHM C[C@@H](NCCS(=O)(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000230989896 333323140 /nfs/dbraw/zinc/32/31/40/333323140.db2.gz SZUVEBMXCGBEJS-SECBINFHSA-N -1 3 290.360 1.073 20 10 CDCDHM COC(=O)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000271314003 523267392 /nfs/dbraw/zinc/26/73/92/523267392.db2.gz WCIMLTIDFGVUPE-MRVPVSSYSA-N -1 3 267.281 1.088 20 10 CDCDHM COC(=O)[C@H](C)NCc1cc(Cl)cc(OC)c1[O-] ZINC000229050673 523884271 /nfs/dbraw/zinc/88/42/71/523884271.db2.gz BKPIRZTZVDYSAF-ZETCQYMHSA-N -1 3 273.716 1.705 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C2CC2)O1 ZINC000280092181 524539122 /nfs/dbraw/zinc/53/91/22/524539122.db2.gz QVGFISPQMCZELC-ZANVPECISA-N -1 3 277.320 1.737 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280241873 524610967 /nfs/dbraw/zinc/61/09/67/524610967.db2.gz KOHNFGLNHMOOSU-XHDPSFHLSA-N -1 3 281.327 1.911 20 10 CDCDHM O=C1CN(Cc2c([O-])ccc3ccccc32)CCN1 ZINC000058593001 527002391 /nfs/dbraw/zinc/00/23/91/527002391.db2.gz IQXPAQDPHIKQLV-UHFFFAOYSA-N -1 3 256.305 1.477 20 10 CDCDHM O=C(NCc1nnc2n1CCCC2)c1cc([O-])cs1 ZINC000732272277 575085538 /nfs/dbraw/zinc/08/55/38/575085538.db2.gz BRQPWXAKPJHJBT-UHFFFAOYSA-N -1 3 278.337 1.312 20 10 CDCDHM CCC(=O)N1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732275438 575085875 /nfs/dbraw/zinc/08/58/75/575085875.db2.gz XFSOCFVEZJEMTG-UHFFFAOYSA-N -1 3 282.365 1.538 20 10 CDCDHM CCC(CC)[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000732300815 575086054 /nfs/dbraw/zinc/08/60/54/575086054.db2.gz HTZIITKZEVCASC-JTQLQIEISA-N -1 3 257.355 1.981 20 10 CDCDHM CCC(CC)[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000732300816 575086076 /nfs/dbraw/zinc/08/60/76/575086076.db2.gz HTZIITKZEVCASC-SNVBAGLBSA-N -1 3 257.355 1.981 20 10 CDCDHM COC[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733365152 575116673 /nfs/dbraw/zinc/11/66/73/575116673.db2.gz ZWMRBJRSEHDVQR-VIFPVBQESA-N -1 3 255.339 1.952 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(C2CCC2)CC1 ZINC000733366174 575116743 /nfs/dbraw/zinc/11/67/43/575116743.db2.gz NSMIEPFMAAJLHV-UHFFFAOYSA-N -1 3 266.366 1.764 20 10 CDCDHM COCCCn1ccc(NC(=O)c2cc([O-])cs2)n1 ZINC000734880115 575393428 /nfs/dbraw/zinc/39/34/28/575393428.db2.gz JQEDFWREUYNLRG-UHFFFAOYSA-N -1 3 281.337 1.939 20 10 CDCDHM C[C@H](NCc1nnnn1CC1CC1)c1ccc(F)cc1[O-] ZINC000769985007 575406188 /nfs/dbraw/zinc/40/61/88/575406188.db2.gz FWHOLXZKZDQJDT-VIFPVBQESA-N -1 3 291.330 1.779 20 10 CDCDHM CCOC(=O)N1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000768142777 576260912 /nfs/dbraw/zinc/26/09/12/576260912.db2.gz PRIISALJQRWFJR-UHFFFAOYSA-N -1 3 294.351 1.675 20 10 CDCDHM CCOc1ccc(CN2CCNC(=O)[C@H]2CC)c([O-])c1 ZINC000769319840 576345538 /nfs/dbraw/zinc/34/55/38/576345538.db2.gz AAZPBWVCFOMRCI-CYBMUJFWSA-N -1 3 278.352 1.501 20 10 CDCDHM CCOc1ccc(CN(C)[C@H]2CCN(C)C2=O)c([O-])c1 ZINC000769463732 576356209 /nfs/dbraw/zinc/35/62/09/576356209.db2.gz PKQUGGMFUKDWJN-ZDUSSCGKSA-N -1 3 278.352 1.453 20 10 CDCDHM O=C1OC[C@@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC000769484457 576358475 /nfs/dbraw/zinc/35/84/75/576358475.db2.gz WQSOBRKNIVSFHW-VIFPVBQESA-N -1 3 282.727 1.682 20 10 CDCDHM Cc1ccc([C@@H](O)CNC(=O)c2cc([O-])cs2)o1 ZINC000741299827 576550459 /nfs/dbraw/zinc/55/04/59/576550459.db2.gz PEKPDLDXGLQCPL-VIFPVBQESA-N -1 3 267.306 1.819 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nccn2C)c1 ZINC000756539700 576994362 /nfs/dbraw/zinc/99/43/62/576994362.db2.gz RNUFJDWMCOXVIE-SNVBAGLBSA-N -1 3 289.335 1.763 20 10 CDCDHM Cc1cc(Br)cc(C[N@H+](C)CC(=O)[O-])c1[O-] ZINC000820954238 598181354 /nfs/dbraw/zinc/18/13/54/598181354.db2.gz VRALLTITVQXBCZ-UHFFFAOYSA-N -1 3 288.141 1.980 20 10 CDCDHM Cc1cc(Br)cc(C[N@@H+](C)CC(=O)[O-])c1[O-] ZINC000820954238 598181355 /nfs/dbraw/zinc/18/13/55/598181355.db2.gz VRALLTITVQXBCZ-UHFFFAOYSA-N -1 3 288.141 1.980 20 10 CDCDHM O=C([O-])[C@H](O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000833771138 605482453 /nfs/dbraw/zinc/48/24/53/605482453.db2.gz WLIBSJLRRUQZHP-CYBMUJFWSA-N -1 3 283.299 1.189 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000894535468 618947030 /nfs/dbraw/zinc/94/70/30/618947030.db2.gz UCOAGYDVHWYMIJ-TVQRCGJNSA-N -1 3 255.264 1.485 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ncccn1 ZINC000898966953 621994674 /nfs/dbraw/zinc/99/46/74/621994674.db2.gz KNHACMILTCROSM-LLVKDONJSA-N -1 3 285.303 1.865 20 10 CDCDHM Oc1ccccc1CNc1ncccc1-c1nnn[n-]1 ZINC001607111975 1164089695 /nfs/dbraw/zinc/08/96/95/1164089695.db2.gz QUPRKSXECHAFBJ-UHFFFAOYSA-N -1 3 268.280 1.579 20 10 CDCDHM Oc1ccccc1CNc1ncccc1-c1nn[n-]n1 ZINC001607111975 1164089700 /nfs/dbraw/zinc/08/97/00/1164089700.db2.gz QUPRKSXECHAFBJ-UHFFFAOYSA-N -1 3 268.280 1.579 20 10 CDCDHM O=C([O-])[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601640804 1174924031 /nfs/dbraw/zinc/92/40/31/1174924031.db2.gz FMQQAHHGDASHPN-VXGBXAGGSA-N -1 3 283.299 1.643 20 10 CDCDHM O=C(Nc1ccccc1CO)c1cccc(O)c1[O-] ZINC000126615915 1175479789 /nfs/dbraw/zinc/47/97/89/1175479789.db2.gz OAEGIMZPMAVMLL-UHFFFAOYSA-N -1 3 259.261 1.842 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001607326283 1164148332 /nfs/dbraw/zinc/14/83/32/1164148332.db2.gz BPRIHKGYLCEWTM-GHMZBOCLSA-N -1 3 279.336 1.943 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001607326283 1164148335 /nfs/dbraw/zinc/14/83/35/1164148335.db2.gz BPRIHKGYLCEWTM-GHMZBOCLSA-N -1 3 279.336 1.943 20 10 CDCDHM CO[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000713144741 742866429 /nfs/dbraw/zinc/86/64/29/742866429.db2.gz KZQHHHVZBRBCAH-RYUDHWBXSA-N -1 3 277.320 1.785 20 10 CDCDHM CC(C)(NC(=O)c1cccc(O)c1[O-])C(=O)N1CCCC1 ZINC000794407432 742936092 /nfs/dbraw/zinc/93/60/92/742936092.db2.gz OJLJOQIFUOPQPS-UHFFFAOYSA-N -1 3 292.335 1.229 20 10 CDCDHM Cc1cc([O-])c(CN2CCn3cnnc3C2)cc1Cl ZINC000824749715 745095988 /nfs/dbraw/zinc/09/59/88/745095988.db2.gz UUCUFVMOQJSNOP-UHFFFAOYSA-N -1 3 278.743 1.961 20 10 CDCDHM O=C1CN(Cc2c([O-])cccc2Br)CCCN1 ZINC000862233032 746226324 /nfs/dbraw/zinc/22/63/24/746226324.db2.gz FKSRVVZSTRARGP-UHFFFAOYSA-N -1 3 299.168 1.477 20 10 CDCDHM O=C(N[C@@H]1CCN(CC(F)F)C1)c1cccc(O)c1[O-] ZINC000841473754 747091985 /nfs/dbraw/zinc/09/19/85/747091985.db2.gz QEJDBVZLURDEJC-MRVPVSSYSA-N -1 3 286.278 1.167 20 10 CDCDHM C[C@@H]1CC(NC(=O)c2cccc(O)c2[O-])C[C@@H](C)O1 ZINC000193151384 747451599 /nfs/dbraw/zinc/45/15/99/747451599.db2.gz JTOFEPVLURPWLL-RKDXNWHRSA-N -1 3 265.309 1.784 20 10 CDCDHM CO[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000300098211 747808368 /nfs/dbraw/zinc/80/83/68/747808368.db2.gz QGYBPHFVXDDFOJ-GFCCVEGCSA-N -1 3 267.300 1.955 20 10 CDCDHM COCCOCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610260868 1167997048 /nfs/dbraw/zinc/99/70/48/1167997048.db2.gz BJGLCJCXCPTUNZ-SNVBAGLBSA-N -1 3 283.324 1.404 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CCC(CO)CC1 ZINC001140581553 936727114 /nfs/dbraw/zinc/72/71/14/936727114.db2.gz ULPJNFMIKOZVBE-UHFFFAOYSA-N -1 3 257.280 1.875 20 10 CDCDHM COc1cc(C(=O)Nc2cc(=O)[n-]c(C)n2)cc(O)c1O ZINC001193081064 923427025 /nfs/dbraw/zinc/42/70/25/923427025.db2.gz KFUNTRHFHUJVKW-UHFFFAOYSA-N -1 3 291.263 1.163 20 10 CDCDHM CN1CC[C@]2(CCCN2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273379414 926547939 /nfs/dbraw/zinc/54/79/39/926547939.db2.gz WDZQMZXBEFHJLY-OAHLLOKOSA-N -1 3 296.317 1.867 20 10 CDCDHM O=C(NCc1cccc2n[nH]cc21)c1cccc(O)c1[O-] ZINC001148220025 932672062 /nfs/dbraw/zinc/67/20/62/932672062.db2.gz LMKHJGOJYHQDOZ-UHFFFAOYSA-N -1 3 283.287 1.904 20 10 CDCDHM O=C(NCC(F)(F)F)c1cc(O)c([O-])c(O)c1 ZINC001148580618 932750589 /nfs/dbraw/zinc/75/05/89/932750589.db2.gz JAGBUKZSALIXCX-UHFFFAOYSA-N -1 3 251.160 1.096 20 10 CDCDHM CC(C)OC1CN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148588306 932753157 /nfs/dbraw/zinc/75/31/57/932753157.db2.gz RVXVGFRZRLSNEO-UHFFFAOYSA-N -1 3 267.281 1.053 20 10 CDCDHM CCN(CCn1cccn1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584563 932753522 /nfs/dbraw/zinc/75/35/22/932753522.db2.gz UDPNHOAWQSRRSA-UHFFFAOYSA-N -1 3 291.307 1.162 20 10 CDCDHM O=C1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001203664232 939700519 /nfs/dbraw/zinc/70/05/19/939700519.db2.gz RYGHDECTXBPXGK-TXEJJXNPSA-N -1 3 281.739 1.978 20 10 CDCDHM C[C@]1(O)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452090 942896746 /nfs/dbraw/zinc/89/67/46/942896746.db2.gz DBDYWHBDYMKYFO-AWEZNQCLSA-N -1 3 265.309 1.437 20 10 CDCDHM C[C@]1(O)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452090 942896749 /nfs/dbraw/zinc/89/67/49/942896749.db2.gz DBDYWHBDYMKYFO-AWEZNQCLSA-N -1 3 265.309 1.437 20 10 CDCDHM CC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453288 942897276 /nfs/dbraw/zinc/89/72/76/942897276.db2.gz FWFLZKNSARTTEC-LBPRGKRZSA-N -1 3 277.320 1.891 20 10 CDCDHM CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453288 942897279 /nfs/dbraw/zinc/89/72/79/942897279.db2.gz FWFLZKNSARTTEC-LBPRGKRZSA-N -1 3 277.320 1.891 20 10 CDCDHM C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@H]1O ZINC001231561446 942928800 /nfs/dbraw/zinc/92/88/00/942928800.db2.gz VCOHPHNWTQYGNB-ZWNOBZJWSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@H]1O ZINC001231561446 942928801 /nfs/dbraw/zinc/92/88/01/942928801.db2.gz VCOHPHNWTQYGNB-ZWNOBZJWSA-N -1 3 279.336 1.683 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](CO)[C@@H](O)C1 ZINC001231910985 943051214 /nfs/dbraw/zinc/05/12/14/943051214.db2.gz XOOTZAWVPFMKFT-JQWIXIFHSA-N -1 3 271.744 1.221 20 10 CDCDHM CN(C)C(=O)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231912015 943052823 /nfs/dbraw/zinc/05/28/23/943052823.db2.gz SMLVWVNUQYFGLK-UHFFFAOYSA-N -1 3 268.744 1.566 20 10 CDCDHM COCCN(CCOC)Cc1c([O-])ccc(F)c1F ZINC001233331576 943545721 /nfs/dbraw/zinc/54/57/21/943545721.db2.gz BZRZLLHGYZCGQX-UHFFFAOYSA-N -1 3 275.295 1.765 20 10 CDCDHM [O-]c1ccc(F)c(Cl)c1CN1CCc2nncn2CC1 ZINC001237124667 944660066 /nfs/dbraw/zinc/66/00/66/944660066.db2.gz QOUPSVSHJCYXJD-UHFFFAOYSA-N -1 3 296.733 1.835 20 10 CDCDHM C[C@@]1(O)COCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935234 945010959 /nfs/dbraw/zinc/01/09/59/945010959.db2.gz SOECFTINJQONKS-ZDUSSCGKSA-N -1 3 289.734 1.768 20 10 CDCDHM CCOC(=O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001339534634 962406260 /nfs/dbraw/zinc/40/62/60/962406260.db2.gz BZRACYQJHDXYKI-JTQLQIEISA-N -1 3 293.319 1.656 20 10 CDCDHM COCC[N@H+](CCC(=O)[O-])Cc1ccc(C)cc1[O-] ZINC001604604845 973717012 /nfs/dbraw/zinc/71/70/12/973717012.db2.gz YDQALZSGZTVTRF-UHFFFAOYSA-N -1 3 267.325 1.624 20 10 CDCDHM COCC[N@@H+](CCC(=O)[O-])Cc1ccc(C)cc1[O-] ZINC001604604845 973717021 /nfs/dbraw/zinc/71/70/21/973717021.db2.gz YDQALZSGZTVTRF-UHFFFAOYSA-N -1 3 267.325 1.624 20 10 CDCDHM CCN1CC[C@H]1C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001596415348 984021531 /nfs/dbraw/zinc/02/15/31/984021531.db2.gz JPEPBQQFYVEHGQ-PWSUYJOCSA-N -1 3 278.352 1.835 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000190849362 358096066 /nfs/dbraw/zinc/09/60/66/358096066.db2.gz MQZMVPYTHRVGKO-SKDRFNHKSA-N -1 3 281.327 1.794 20 10 CDCDHM CCCOc1ccc(CN2CCO[C@@H](CO)C2)c([O-])c1 ZINC000271193048 364970073 /nfs/dbraw/zinc/97/00/73/364970073.db2.gz QMEJNKVGJIWAJR-CQSZACIVSA-N -1 3 281.352 1.374 20 10 CDCDHM Cc1ccc(C(=O)NC2=NO[C@H](C)C2)c([O-])c1O ZINC000272959000 365460139 /nfs/dbraw/zinc/46/01/39/365460139.db2.gz JHEVZAGOFQXKED-SSDOTTSWSA-N -1 3 250.254 1.258 20 10 CDCDHM CC(C)N1CCCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000295112279 371132073 /nfs/dbraw/zinc/13/20/73/371132073.db2.gz LGXIXMMRGHKYNR-UHFFFAOYSA-N -1 3 296.342 1.793 20 10 CDCDHM CCC[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000296165181 371639311 /nfs/dbraw/zinc/63/93/11/371639311.db2.gz SVLGOFINSNKPQJ-JTQLQIEISA-N -1 3 267.325 1.951 20 10 CDCDHM CNC(=O)NC1CN(Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000297428650 371990983 /nfs/dbraw/zinc/99/09/83/371990983.db2.gz OEZKRVPXQBQISG-UHFFFAOYSA-N -1 3 283.759 1.467 20 10 CDCDHM CC(=O)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC001588781905 1173104228 /nfs/dbraw/zinc/10/42/28/1173104228.db2.gz KTONXYFDQVXUDB-UHFFFAOYSA-N -1 3 262.294 1.117 20 10 CDCDHM CC(=O)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC001588781905 1173104236 /nfs/dbraw/zinc/10/42/36/1173104236.db2.gz KTONXYFDQVXUDB-UHFFFAOYSA-N -1 3 262.294 1.117 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCN(C)CC2)c1[O-] ZINC000037322576 260159814 /nfs/dbraw/zinc/15/98/14/260159814.db2.gz LFMQWKDARROIRL-UHFFFAOYSA-N -1 3 266.316 1.481 20 10 CDCDHM CC[C@H](C)NC(=O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177675183 261712139 /nfs/dbraw/zinc/71/21/39/261712139.db2.gz AWVDFMOLDKNDJV-JTQLQIEISA-N -1 3 294.351 1.441 20 10 CDCDHM COc1cc(Cl)cc(CN2CCNC(=O)C[C@@H]2C)c1[O-] ZINC000367669458 267107508 /nfs/dbraw/zinc/10/75/08/267107508.db2.gz KZOPWSMSYIRDJF-VIFPVBQESA-N -1 3 298.770 1.765 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2cc[nH]n2)C1 ZINC000187024760 329351659 /nfs/dbraw/zinc/35/16/59/329351659.db2.gz BHSDHWYCCMGUNX-JTQLQIEISA-N -1 3 287.319 1.841 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[C@@H]1O ZINC001142509048 1160689299 /nfs/dbraw/zinc/68/92/99/1160689299.db2.gz VLCKTOKRVVKPQP-PELKAZGASA-N -1 3 257.280 1.873 20 10 CDCDHM CN(C)C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000128154926 521852023 /nfs/dbraw/zinc/85/20/23/521852023.db2.gz DXVRWNXTVLOAMC-LLVKDONJSA-N -1 3 284.787 1.808 20 10 CDCDHM COC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@H](C)O1 ZINC000276117636 522864613 /nfs/dbraw/zinc/86/46/13/522864613.db2.gz XYPPWJQKEUDZKZ-WDEREUQCSA-N -1 3 295.335 1.282 20 10 CDCDHM COCCOC[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000274969014 524022204 /nfs/dbraw/zinc/02/22/04/524022204.db2.gz NBPUKBGVSMHCLP-LLVKDONJSA-N -1 3 295.335 1.223 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C(C)C)C(C)(C)O)c([O-])c1O ZINC000276804799 526194063 /nfs/dbraw/zinc/19/40/63/526194063.db2.gz SRPDTWDSMCFFRP-ZDUSSCGKSA-N -1 3 281.352 1.932 20 10 CDCDHM C[C@@H]1COCCN1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000766634321 576117509 /nfs/dbraw/zinc/11/75/09/576117509.db2.gz MTTNUNLZFXSHPF-NOZJJQNGSA-N -1 3 265.309 1.039 20 10 CDCDHM COc1cccc([O-])c1CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000768138538 576260252 /nfs/dbraw/zinc/26/02/52/576260252.db2.gz OCRNHQYEEUMDQI-JTQLQIEISA-N -1 3 285.365 1.020 20 10 CDCDHM CCOc1ccc(CN(C)CC(=O)OC)c([O-])c1 ZINC000768401627 576280735 /nfs/dbraw/zinc/28/07/35/576280735.db2.gz UANNOJLJYFYDMY-UHFFFAOYSA-N -1 3 253.298 1.396 20 10 CDCDHM C[C@H]1N(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCOC1(C)C ZINC000768461580 576286718 /nfs/dbraw/zinc/28/67/18/576286718.db2.gz DLQWQKNNZGTNQH-YGRLFVJLSA-N -1 3 293.363 1.817 20 10 CDCDHM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cc([O-])cs1 ZINC000755329581 576939836 /nfs/dbraw/zinc/93/98/36/576939836.db2.gz VOECQLRRGIPSKY-WPRPVWTQSA-N -1 3 255.339 1.687 20 10 CDCDHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(O)cc1F ZINC000758169078 577076992 /nfs/dbraw/zinc/07/69/92/577076992.db2.gz MIRIPKACCUDSGG-JTQLQIEISA-N -1 3 289.328 1.842 20 10 CDCDHM O=C([O-])[C@@]1(F)CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000833174212 601371804 /nfs/dbraw/zinc/37/18/04/601371804.db2.gz CLALRJMSKCILRL-OAHLLOKOSA-N -1 3 279.311 1.880 20 10 CDCDHM O=C([O-])[C@@H](O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000833771139 605483010 /nfs/dbraw/zinc/48/30/10/605483010.db2.gz WLIBSJLRRUQZHP-ZDUSSCGKSA-N -1 3 283.299 1.189 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCc2n[nH]nc2C1 ZINC000895352760 619595555 /nfs/dbraw/zinc/59/55/55/619595555.db2.gz AJBRUUBUVAUEAO-UHFFFAOYSA-N -1 3 266.251 1.347 20 10 CDCDHM Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1[O-] ZINC001600218912 1174415224 /nfs/dbraw/zinc/41/52/24/1174415224.db2.gz GATQFXKWIGTTMJ-ZYHUDNBSSA-N -1 3 299.754 1.621 20 10 CDCDHM Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1[O-] ZINC001600218912 1174415229 /nfs/dbraw/zinc/41/52/29/1174415229.db2.gz GATQFXKWIGTTMJ-ZYHUDNBSSA-N -1 3 299.754 1.621 20 10 CDCDHM Cc1cc([O-])c(CN2CCN3C(=O)OC[C@@H]3C2)cc1Cl ZINC000824863938 751743181 /nfs/dbraw/zinc/74/31/81/751743181.db2.gz XUYZIWSAOUKXRE-NSHDSACASA-N -1 3 296.754 1.990 20 10 CDCDHM COCCC1(NC(=O)c2cccc(O)c2[O-])CCC1 ZINC000794163807 751767020 /nfs/dbraw/zinc/76/70/20/751767020.db2.gz LEQRJILXJOIFHZ-UHFFFAOYSA-N -1 3 265.309 1.787 20 10 CDCDHM COCCO[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000801314996 751788118 /nfs/dbraw/zinc/78/81/18/751788118.db2.gz PVGXQWQPZXSTFW-NSHDSACASA-N -1 3 295.335 1.365 20 10 CDCDHM Cn1nc2c(c1NC(=O)c1cccc(O)c1[O-])CCCC2 ZINC000870879298 749605505 /nfs/dbraw/zinc/60/55/05/749605505.db2.gz CUKFDAVOWTUACU-UHFFFAOYSA-N -1 3 287.319 1.962 20 10 CDCDHM NCC(F)(F)CNCc1cc(Cl)ccc1[O-] ZINC000841060351 749972125 /nfs/dbraw/zinc/97/21/25/749972125.db2.gz WKJATLQSDIYXJO-UHFFFAOYSA-N -1 3 250.676 1.729 20 10 CDCDHM CCOC(=O)c1cnc(SCCc2nnn[n-]2)s1 ZINC000882473177 750053260 /nfs/dbraw/zinc/05/32/60/750053260.db2.gz ISTZYNQFKQFWFU-UHFFFAOYSA-N -1 3 285.354 1.168 20 10 CDCDHM CCOC(=O)c1cnc(SCCc2nn[n-]n2)s1 ZINC000882473177 750053267 /nfs/dbraw/zinc/05/32/67/750053267.db2.gz ISTZYNQFKQFWFU-UHFFFAOYSA-N -1 3 285.354 1.168 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000871200142 750191183 /nfs/dbraw/zinc/19/11/83/750191183.db2.gz NICVLAZLZLKFLX-WXHSDQCUSA-N -1 3 291.347 1.863 20 10 CDCDHM C[C@H]1CC(NC(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000193151371 750388415 /nfs/dbraw/zinc/38/84/15/750388415.db2.gz JTOFEPVLURPWLL-IUCAKERBSA-N -1 3 265.309 1.784 20 10 CDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)C(C)C ZINC000839866431 750433837 /nfs/dbraw/zinc/43/38/37/750433837.db2.gz FLLIMFDAGHGIMQ-JQWIXIFHSA-N -1 3 267.325 1.623 20 10 CDCDHM CC[C@@H](NCc1c([O-])ccc(Cl)c1F)C(=O)NC ZINC000825315513 750876112 /nfs/dbraw/zinc/87/61/12/750876112.db2.gz COWSOOMIDHPCCC-SECBINFHSA-N -1 3 274.723 1.799 20 10 CDCDHM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cccc(O)c1[O-] ZINC000790882933 750879925 /nfs/dbraw/zinc/87/99/25/750879925.db2.gz SWWLMBUZFAPOFT-UWVGGRQHSA-N -1 3 265.309 1.643 20 10 CDCDHM O=C([O-])[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000843039279 753047353 /nfs/dbraw/zinc/04/73/53/753047353.db2.gz OSBRIOOFYSTCPG-KCJUWKMLSA-N -1 3 253.273 1.874 20 10 CDCDHM CO[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000388217375 753195195 /nfs/dbraw/zinc/19/51/95/753195195.db2.gz FWYPQUGIWDPGBW-UWVGGRQHSA-N -1 3 265.309 1.737 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC000126254266 753640723 /nfs/dbraw/zinc/64/07/23/753640723.db2.gz OEJKMMZKOUWRQC-VIFPVBQESA-N -1 3 258.277 1.984 20 10 CDCDHM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCN(C)C1 ZINC001234474778 913679989 /nfs/dbraw/zinc/67/99/89/913679989.db2.gz WXNQEDHKSNRDKA-SNVBAGLBSA-N -1 3 265.309 1.773 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001137832969 936418190 /nfs/dbraw/zinc/41/81/90/936418190.db2.gz OALDMTYMLIJFNS-ZBINZKHDSA-N -1 3 281.327 1.503 20 10 CDCDHM COC(=O)N1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC001138123752 936473592 /nfs/dbraw/zinc/47/35/92/936473592.db2.gz JZWYFJDHYJSUOU-UHFFFAOYSA-N -1 3 282.315 1.805 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CCN2CC[C@H]2C1 ZINC001139689759 936636505 /nfs/dbraw/zinc/63/65/05/936636505.db2.gz LTPABTXZBLUAGZ-VIFPVBQESA-N -1 3 254.280 1.560 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2c([O-])cc(F)cc2F)C[C@@H]1C ZINC001140585552 936728333 /nfs/dbraw/zinc/72/83/33/936728333.db2.gz NTAAALYODXAIQG-WPRPVWTQSA-N -1 3 285.290 1.911 20 10 CDCDHM CN(C)C1CN(C(=O)c2cc(O)c([O-])c(Cl)c2)C1 ZINC001193590322 923789925 /nfs/dbraw/zinc/78/99/25/923789925.db2.gz YAFASPRJQJXZCX-UHFFFAOYSA-N -1 3 270.716 1.137 20 10 CDCDHM Cc1ccnc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC001148212495 932668945 /nfs/dbraw/zinc/66/89/45/932668945.db2.gz AQOZJCDQECGOHA-UHFFFAOYSA-N -1 3 259.265 1.126 20 10 CDCDHM N=c1c(N)c(Cl)ccn1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581723 932751119 /nfs/dbraw/zinc/75/11/19/932751119.db2.gz SOZDZYDMOKJMMT-UHFFFAOYSA-N -1 3 295.682 1.008 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@H](CCO)C1 ZINC001148584621 932753303 /nfs/dbraw/zinc/75/33/03/932753303.db2.gz WIGZTVWQDZUJTK-VIFPVBQESA-N -1 3 281.308 1.038 20 10 CDCDHM C[C@@H]1CNC(=O)CN1Cc1cc(Br)ccc1[O-] ZINC001203645536 939699911 /nfs/dbraw/zinc/69/99/11/939699911.db2.gz MDEFXEOCXBUEJD-MRVPVSSYSA-N -1 3 299.168 1.475 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)[C@H](CO)C2)c1[O-] ZINC000316455113 941486499 /nfs/dbraw/zinc/48/64/99/941486499.db2.gz OTAWPCURNPWMGP-GXFFZTMASA-N -1 3 299.754 1.033 20 10 CDCDHM NC(=O)[C@@H]1CCSC12CN(Cc1c([O-])cccc1F)C2 ZINC001277483970 942773628 /nfs/dbraw/zinc/77/36/28/942773628.db2.gz FROTYFCPCKSMNO-JTQLQIEISA-N -1 3 296.367 1.324 20 10 CDCDHM C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@]1(C)O ZINC001231447871 942893734 /nfs/dbraw/zinc/89/37/34/942893734.db2.gz XJQDBWQXZPLMQK-BMIGLBTASA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@]1(C)O ZINC001231447871 942893739 /nfs/dbraw/zinc/89/37/39/942893739.db2.gz XJQDBWQXZPLMQK-BMIGLBTASA-N -1 3 279.336 1.683 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC001231448788 942894601 /nfs/dbraw/zinc/89/46/01/942894601.db2.gz BYAZIALMLSMMML-OAHLLOKOSA-N -1 3 277.320 1.703 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC001231448788 942894610 /nfs/dbraw/zinc/89/46/10/942894610.db2.gz BYAZIALMLSMMML-OAHLLOKOSA-N -1 3 277.320 1.703 20 10 CDCDHM CC(C)[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCO1 ZINC001231453740 942897220 /nfs/dbraw/zinc/89/72/20/942897220.db2.gz JSTDJSFOPAJIEY-AWEZNQCLSA-N -1 3 279.336 1.947 20 10 CDCDHM C[C@@]1(CO)CN(Cc2cccc(Cl)c2[O-])CC[C@@H]1O ZINC001231910395 943051037 /nfs/dbraw/zinc/05/10/37/943051037.db2.gz OGWDWQHATOWVSU-JSGCOSHPSA-N -1 3 285.771 1.611 20 10 CDCDHM CNC(=O)CN(C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237935191 945011869 /nfs/dbraw/zinc/01/18/69/945011869.db2.gz RAQXIYBCKXEJKK-UHFFFAOYSA-N -1 3 260.696 1.363 20 10 CDCDHM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001589440815 954709149 /nfs/dbraw/zinc/70/91/49/954709149.db2.gz AKTQXPZNSLVMBN-ZYHUDNBSSA-N -1 3 281.308 1.113 20 10 CDCDHM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001589440815 954709158 /nfs/dbraw/zinc/70/91/58/954709158.db2.gz AKTQXPZNSLVMBN-ZYHUDNBSSA-N -1 3 281.308 1.113 20 10 CDCDHM O=C([O-])CC[N@H+](Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC001261481535 957257001 /nfs/dbraw/zinc/25/70/01/957257001.db2.gz DEPFUEXIAJZXRP-UHFFFAOYSA-N -1 3 297.326 1.987 20 10 CDCDHM O=C([O-])CC[N@@H+](Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC001261481535 957257003 /nfs/dbraw/zinc/25/70/03/957257003.db2.gz DEPFUEXIAJZXRP-UHFFFAOYSA-N -1 3 297.326 1.987 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001599680289 994968951 /nfs/dbraw/zinc/96/89/51/994968951.db2.gz KAGDXFIIROBCDT-NXEZZACHSA-N -1 3 265.309 1.696 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001599680289 994968960 /nfs/dbraw/zinc/96/89/60/994968960.db2.gz KAGDXFIIROBCDT-NXEZZACHSA-N -1 3 265.309 1.696 20 10 CDCDHM COC[C@@H](O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599179948 996924600 /nfs/dbraw/zinc/92/46/00/996924600.db2.gz YSKAHRDVGYBKIU-KOLCDFICSA-N -1 3 283.324 1.138 20 10 CDCDHM CN(CC1(O)CCCC1)C(=O)c1cccc(O)c1[O-] ZINC000159533536 362337634 /nfs/dbraw/zinc/33/76/34/362337634.db2.gz BKDCQHRYBOWACT-UHFFFAOYSA-N -1 3 265.309 1.475 20 10 CDCDHM C[C@@H](O)CN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000188731365 357931274 /nfs/dbraw/zinc/93/12/74/357931274.db2.gz ZHWQXEVKSCZVID-LLVKDONJSA-N -1 3 284.787 1.544 20 10 CDCDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc(F)ccc1[O-] ZINC000272289817 365174937 /nfs/dbraw/zinc/17/49/37/365174937.db2.gz NZBSDUOICZCKHL-MHNGPXOMSA-N -1 3 271.357 1.873 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)CO[C@H]2CCOC2)c([O-])c1O ZINC000272719848 365365058 /nfs/dbraw/zinc/36/50/58/365365058.db2.gz HBYOQHCKZYUEFR-QWRGUYRKSA-N -1 3 295.335 1.330 20 10 CDCDHM CO[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000272758280 365383102 /nfs/dbraw/zinc/38/31/02/365383102.db2.gz PSUMZHDFQDQQDE-NSHDSACASA-N -1 3 267.325 1.807 20 10 CDCDHM CCC[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272765020 365387410 /nfs/dbraw/zinc/38/74/10/365387410.db2.gz QZFCSMOREAHOCG-AWEZNQCLSA-N -1 3 267.325 1.687 20 10 CDCDHM COc1cc(Cl)cc(CN(C)[C@H]2CCN(C)C2=O)c1[O-] ZINC000273752163 365522388 /nfs/dbraw/zinc/52/23/88/365522388.db2.gz NROAEEHDJNCIBK-NSHDSACASA-N -1 3 298.770 1.717 20 10 CDCDHM C[C@H](NCc1cnn(C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273362514 365488997 /nfs/dbraw/zinc/48/89/97/365488997.db2.gz DFBRNAAZUXCSLO-VIFPVBQESA-N -1 3 276.296 1.885 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H](C)Cn2ccnc2)c([O-])c1O ZINC000182487138 391236049 /nfs/dbraw/zinc/23/60/49/391236049.db2.gz LOIXJWWKVWWQLJ-SNVBAGLBSA-N -1 3 289.335 1.669 20 10 CDCDHM Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c([O-])c1O ZINC000179477416 391207685 /nfs/dbraw/zinc/20/76/85/391207685.db2.gz ZZDDWPXXRBGOIE-NSHDSACASA-N -1 3 292.335 1.003 20 10 CDCDHM CCN(CC(C)(C)O)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179534090 391209707 /nfs/dbraw/zinc/20/97/07/391209707.db2.gz OJUUWYOBBPEOPD-UHFFFAOYSA-N -1 3 267.325 1.639 20 10 CDCDHM [O-]c1ccccc1CN1CCN(CC(F)F)CC1 ZINC000271345586 391293711 /nfs/dbraw/zinc/29/37/11/391293711.db2.gz KIIRODWGTIFEOV-UHFFFAOYSA-N -1 3 256.296 1.775 20 10 CDCDHM Cc1ccc(C(=O)N(C)C[C@H]2CCC[C@@H]2O)c([O-])c1O ZINC000182904242 261955118 /nfs/dbraw/zinc/95/51/18/261955118.db2.gz WSXIGBRQVAXNMM-PWSUYJOCSA-N -1 3 279.336 1.639 20 10 CDCDHM CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])[C@H]2CCO[C@@H]21 ZINC000187120614 262125016 /nfs/dbraw/zinc/12/50/16/262125016.db2.gz HPKCZNQICSJULN-WQAKAFBOSA-N -1 3 277.320 1.641 20 10 CDCDHM CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H]2CCO[C@@H]21 ZINC000187120648 262125214 /nfs/dbraw/zinc/12/52/14/262125214.db2.gz HPKCZNQICSJULN-BIMULSAOSA-N -1 3 277.320 1.641 20 10 CDCDHM C/C=C/C[C@H](CO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000187149326 262125777 /nfs/dbraw/zinc/12/57/77/262125777.db2.gz NFJUROXMJZIUBA-HMDXOVGESA-N -1 3 265.309 1.463 20 10 CDCDHM C[C@H]([NH2+]CC1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974988 1173218016 /nfs/dbraw/zinc/21/80/16/1173218016.db2.gz DPPVNOOPVKYDSM-QMMMGPOBSA-N -1 3 259.313 1.633 20 10 CDCDHM C[C@@H]1CO[C@@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000126258903 297155831 /nfs/dbraw/zinc/15/58/31/297155831.db2.gz PEHMQPPUCXUBQV-BDAKNGLRSA-N -1 3 251.282 1.347 20 10 CDCDHM O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1cccc(O)c1[O-] ZINC000365100486 303897477 /nfs/dbraw/zinc/89/74/77/303897477.db2.gz PMFFKKOJMKENNN-GFCCVEGCSA-N -1 3 298.298 1.243 20 10 CDCDHM Cc1ccc(C(=O)N2CC[S@](=O)C[C@H](C)C2)c([O-])c1O ZINC000277706839 328221968 /nfs/dbraw/zinc/22/19/68/328221968.db2.gz WIZQNIPURYXVHU-YBYGRFCBSA-N -1 3 297.376 1.247 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)C[C@H]2C)c1[O-] ZINC000378326732 329046053 /nfs/dbraw/zinc/04/60/53/329046053.db2.gz OZUPTRSIYOSPCR-SECBINFHSA-N -1 3 294.326 1.444 20 10 CDCDHM CN(Cc1cc(F)ccc1[O-])[C@H]1CCCCNC1=O ZINC000378491194 329052696 /nfs/dbraw/zinc/05/26/96/329052696.db2.gz FMHPPVIWAXWUOA-LBPRGKRZSA-N -1 3 266.316 1.632 20 10 CDCDHM CCn1cnnc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000230658826 333319883 /nfs/dbraw/zinc/31/98/83/333319883.db2.gz RECKMUOKLLKWKZ-VIFPVBQESA-N -1 3 264.304 1.994 20 10 CDCDHM COCCN(CC(=O)OC)Cc1c([O-])cccc1Cl ZINC000126453080 523672537 /nfs/dbraw/zinc/67/25/37/523672537.db2.gz UTHCSNVHMAKSOU-UHFFFAOYSA-N -1 3 287.743 1.667 20 10 CDCDHM COC(=O)[C@H](C)NCc1cc(Br)ccc1[O-] ZINC000234539086 523884322 /nfs/dbraw/zinc/88/43/22/523884322.db2.gz ALLFRXPECZIWES-ZETCQYMHSA-N -1 3 288.141 1.806 20 10 CDCDHM CNC(=O)[C@H](C)N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000291959455 524100438 /nfs/dbraw/zinc/10/04/38/524100438.db2.gz RRJAHYDJCUDXTN-YUMQZZPRSA-N -1 3 256.733 1.831 20 10 CDCDHM C[C@@H]1CCN(Cc2cc(F)ccc2[O-])CC[S@@]1=O ZINC000277418867 524510610 /nfs/dbraw/zinc/51/06/10/524510610.db2.gz ICHDTXOKDKNNGC-MLCYQJTMSA-N -1 3 271.357 1.874 20 10 CDCDHM C[C@H](CO[C@H]1CCOC1)NC(=O)c1cccc(O)c1[O-] ZINC000279360112 524587903 /nfs/dbraw/zinc/58/79/03/524587903.db2.gz SQLGIPOOYUUAIY-ZJUUUORDSA-N -1 3 281.308 1.022 20 10 CDCDHM C[C@@H]1OCC[C@]12CN(C(=O)c1cccc(O)c1[O-])CCO2 ZINC000279853465 525602104 /nfs/dbraw/zinc/60/21/04/525602104.db2.gz FZPDKXRHXIAQJV-BONVTDFDSA-N -1 3 293.319 1.118 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@@](C)(O)CC2)c([O-])c1O ZINC000280480536 526103078 /nfs/dbraw/zinc/10/30/78/526103078.db2.gz GGCGXHHSLWNKRT-OAHLLOKOSA-N -1 3 279.336 1.783 20 10 CDCDHM CCCCn1nnnc1CN(C)Cc1ccccc1[O-] ZINC000731843434 575065667 /nfs/dbraw/zinc/06/56/67/575065667.db2.gz GYEAWSWTWALQIX-UHFFFAOYSA-N -1 3 275.356 1.811 20 10 CDCDHM CCN(C[C@@H]1CCOC1)C(=O)c1cc([O-])cs1 ZINC000731871126 575067272 /nfs/dbraw/zinc/06/72/72/575067272.db2.gz DMYSBCRZJNOBDT-VIFPVBQESA-N -1 3 255.339 1.952 20 10 CDCDHM CCCNC(=O)[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000731872317 575067789 /nfs/dbraw/zinc/06/77/89/575067789.db2.gz DOMSPKXJBGFQIU-JTQLQIEISA-N -1 3 296.392 1.832 20 10 CDCDHM O=C(NCCN1CCCCC1)c1cc([O-])cs1 ZINC000731869192 575068951 /nfs/dbraw/zinc/06/89/51/575068951.db2.gz BDYIUFRRWHRICH-UHFFFAOYSA-N -1 3 254.355 1.669 20 10 CDCDHM O=C(NCCCOC[C@@H]1CCCO1)c1cc([O-])cs1 ZINC000732259633 575084392 /nfs/dbraw/zinc/08/43/92/575084392.db2.gz SWBAVSOLFUNQMP-NSHDSACASA-N -1 3 285.365 1.769 20 10 CDCDHM O=C(CCNC(=O)c1cc([O-])cs1)Nc1ccncc1 ZINC000732280781 575086644 /nfs/dbraw/zinc/08/66/44/575086644.db2.gz INKYUUFITRNVEA-UHFFFAOYSA-N -1 3 291.332 1.029 20 10 CDCDHM COC[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733365149 575116720 /nfs/dbraw/zinc/11/67/20/575116720.db2.gz ZWMRBJRSEHDVQR-SECBINFHSA-N -1 3 255.339 1.952 20 10 CDCDHM Cn1ccc(CCNC(=O)c2cc([O-])cs2)n1 ZINC000761176421 576557356 /nfs/dbraw/zinc/55/73/56/576557356.db2.gz IDSAIIQOWLMELY-UHFFFAOYSA-N -1 3 251.311 1.160 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCN(CCCCO)CC1 ZINC000769396139 576351557 /nfs/dbraw/zinc/35/15/57/576351557.db2.gz WEZDDKFUSXCDNP-UHFFFAOYSA-N -1 3 298.814 1.936 20 10 CDCDHM CN1C(=O)C2(CCCC2)N[C@H]1c1cc(F)ccc1[O-] ZINC000742438756 576603034 /nfs/dbraw/zinc/60/30/34/576603034.db2.gz DWSBDYYUBTYBDT-GFCCVEGCSA-N -1 3 264.300 1.904 20 10 CDCDHM O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc([O-])cs1 ZINC000753842644 576861834 /nfs/dbraw/zinc/86/18/34/576861834.db2.gz PIZPWHSCBFHFBT-JTQLQIEISA-N -1 3 289.360 1.857 20 10 CDCDHM COc1cccc([O-])c1CN(C)CCNC(=O)N(C)C ZINC000757867456 577058629 /nfs/dbraw/zinc/05/86/29/577058629.db2.gz VFJVGYPIUDYXQU-UHFFFAOYSA-N -1 3 281.356 1.104 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC000895259359 619503313 /nfs/dbraw/zinc/50/33/13/619503313.db2.gz LIJLJUUJPWEDBO-ZDUSSCGKSA-N -1 3 298.333 1.577 20 10 CDCDHM O=C(NCc1cccc(O)c1)c1cccc(O)c1[O-] ZINC000126572823 754308435 /nfs/dbraw/zinc/30/84/35/754308435.db2.gz RMEKREILNUKLKN-UHFFFAOYSA-N -1 3 259.261 1.733 20 10 CDCDHM O=C(NCc1nccs1)c1cccc(O)c1[O-] ZINC000126316097 754818472 /nfs/dbraw/zinc/81/84/72/754818472.db2.gz BSTHFDLMOWYKGZ-UHFFFAOYSA-N -1 3 250.279 1.484 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC(O)(CO)CC2)c1[O-] ZINC000313726602 754819139 /nfs/dbraw/zinc/81/91/39/754819139.db2.gz RXOSKROOHSRLPI-UHFFFAOYSA-N -1 3 297.326 1.053 20 10 CDCDHM Cc1ccccc1[C@@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000187089579 754982707 /nfs/dbraw/zinc/98/27/07/754982707.db2.gz JOFSFWJLWDTIHV-AWEZNQCLSA-N -1 3 287.315 1.870 20 10 CDCDHM COCCN(C(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000829756392 755369079 /nfs/dbraw/zinc/36/90/79/755369079.db2.gz YGDAYSVEKUGKON-UHFFFAOYSA-N -1 3 295.335 1.365 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C1OCCO1 ZINC000888439884 755578791 /nfs/dbraw/zinc/57/87/91/755578791.db2.gz ULWVLQAXZDPJMW-SNVBAGLBSA-N -1 3 279.292 1.075 20 10 CDCDHM CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790933732 755850727 /nfs/dbraw/zinc/85/07/27/755850727.db2.gz XYGJNPLKLPKOBK-JQWIXIFHSA-N -1 3 281.308 1.022 20 10 CDCDHM CCNC(=O)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000036780442 755891031 /nfs/dbraw/zinc/89/10/31/755891031.db2.gz RGIBSFSWPULTSI-UHFFFAOYSA-N -1 3 277.151 1.925 20 10 CDCDHM CCN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCNC1=O ZINC000799737720 756308844 /nfs/dbraw/zinc/30/88/44/756308844.db2.gz LVMYCAKKEGWRDS-NSHDSACASA-N -1 3 286.734 1.895 20 10 CDCDHM O=C(N[C@H](CO)Cc1ccccc1)c1cccc(O)c1[O-] ZINC000126619881 756680898 /nfs/dbraw/zinc/68/08/98/756680898.db2.gz KBRWBYJFONUXMK-LBPRGKRZSA-N -1 3 287.315 1.431 20 10 CDCDHM C[C@H](NCc1cnnn1C)c1c([O-])cccc1F ZINC000886610772 757063601 /nfs/dbraw/zinc/06/36/01/757063601.db2.gz JMANUBDZGROUEN-QMMMGPOBSA-N -1 3 250.277 1.511 20 10 CDCDHM COCCN1CN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000802659405 757236036 /nfs/dbraw/zinc/23/60/36/757236036.db2.gz SDRUPEHFZHWBBO-UHFFFAOYSA-N -1 3 284.743 1.294 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCn2nc(C3CC3)cc2C1 ZINC000834446230 757347152 /nfs/dbraw/zinc/34/71/52/757347152.db2.gz HGZNGHCGMVJLRF-UHFFFAOYSA-N -1 3 299.330 1.828 20 10 CDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2CCC2)c1 ZINC000049289182 758323265 /nfs/dbraw/zinc/32/32/65/758323265.db2.gz PNYYGKKMYXJPKY-UHFFFAOYSA-N -1 3 298.364 1.294 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@](F)(CO)C1 ZINC000802660256 758336172 /nfs/dbraw/zinc/33/61/72/758336172.db2.gz GJBIQDIPXJWJMU-LBPRGKRZSA-N -1 3 259.708 1.952 20 10 CDCDHM Cc1cc([O-])c([C@H]2NC(=O)[C@@H]3CSCCN32)cc1Cl ZINC000849183731 758359800 /nfs/dbraw/zinc/35/98/00/758359800.db2.gz VYYZHEOKBTVYSJ-JQWIXIFHSA-N -1 3 298.795 1.900 20 10 CDCDHM C[C@H]1CCCCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846230057 758685188 /nfs/dbraw/zinc/68/51/88/758685188.db2.gz BRWWHAZCSITWDY-VIFPVBQESA-N -1 3 290.323 1.508 20 10 CDCDHM O=C(NCc1cccc(=O)[nH]1)c1cccc(O)c1[O-] ZINC000790911071 758800738 /nfs/dbraw/zinc/80/07/38/758800738.db2.gz DMYAROOLSLIRCP-UHFFFAOYSA-N -1 3 260.249 1.128 20 10 CDCDHM CC1(CO)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000839145995 758832042 /nfs/dbraw/zinc/83/20/42/758832042.db2.gz ZSIYFSTXMPBGLC-UHFFFAOYSA-N -1 3 286.169 1.969 20 10 CDCDHM CN(Cc1cscn1)C(=O)c1cccc(O)c1[O-] ZINC000126347004 1165975986 /nfs/dbraw/zinc/97/59/86/1165975986.db2.gz MYAQNAIQVNGAQA-UHFFFAOYSA-N -1 3 264.306 1.827 20 10 CDCDHM COC(=O)CC[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC001140056432 936675292 /nfs/dbraw/zinc/67/52/92/936675292.db2.gz WYBGDFYCDPEWMD-CYBMUJFWSA-N -1 3 297.326 1.685 20 10 CDCDHM COC(=O)C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140467589 936713029 /nfs/dbraw/zinc/71/30/29/936713029.db2.gz YQSFDZYYHCONAN-GFCCVEGCSA-N -1 3 299.754 1.810 20 10 CDCDHM CN(C)C(=O)CCN(C)Cc1c([O-])cc(F)cc1F ZINC001140583828 936728086 /nfs/dbraw/zinc/72/80/86/936728086.db2.gz VCSZNQJYJJULSE-UHFFFAOYSA-N -1 3 272.295 1.581 20 10 CDCDHM CN(C1COC1)C1CN(Cc2c([O-])cccc2F)C1 ZINC001137838489 923018037 /nfs/dbraw/zinc/01/80/37/923018037.db2.gz BONJYBIKXFVCBM-UHFFFAOYSA-N -1 3 266.316 1.046 20 10 CDCDHM O=S(=O)(NCc1ccc(O)cc1O)c1ccc([O-])cc1 ZINC001195819012 924747157 /nfs/dbraw/zinc/74/71/57/924747157.db2.gz YRHXTQWBGGEKMK-UHFFFAOYSA-N -1 3 295.316 1.282 20 10 CDCDHM C[C@@]1(NC(=O)c2cccc(O)c2[O-])CCO[C@H]1C1CC1 ZINC001154079680 937501140 /nfs/dbraw/zinc/50/11/40/937501140.db2.gz SHJACGBXMUALEA-DZGCQCFKSA-N -1 3 277.320 1.785 20 10 CDCDHM Cc1ncc(NC(=O)c2cccc(O)c2[O-])nc1C ZINC001148212152 932667831 /nfs/dbraw/zinc/66/78/31/932667831.db2.gz OOAXJTIKJRQWPZ-UHFFFAOYSA-N -1 3 259.265 1.757 20 10 CDCDHM CO[C@H](C)C1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148218645 932670210 /nfs/dbraw/zinc/67/02/10/932670210.db2.gz JKDHZUUZBQCJQN-MRVPVSSYSA-N -1 3 251.282 1.205 20 10 CDCDHM N[C@H]1CN(Cc2c([O-])ccc(F)c2F)CCC1(F)F ZINC001206684948 940078253 /nfs/dbraw/zinc/07/82/53/940078253.db2.gz VTMVOOOUKXQVGR-JTQLQIEISA-N -1 3 278.249 1.839 20 10 CDCDHM O=C([O-])c1ccc(CN2CCOC[C@@H]2C2CC2)c(O)c1 ZINC001231453825 942899705 /nfs/dbraw/zinc/89/97/05/942899705.db2.gz KVSITUWMKLIHBB-CYBMUJFWSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc(O)c(CN2CCN(C3CC3)CC2)c1 ZINC001231561919 942928823 /nfs/dbraw/zinc/92/88/23/942928823.db2.gz XOCVNVJXGJBKEP-UHFFFAOYSA-N -1 3 276.336 1.370 20 10 CDCDHM Cc1cc([O-])c(CN2CCOC(=O)C2)cc1Cl ZINC001231870082 943036760 /nfs/dbraw/zinc/03/67/60/943036760.db2.gz IRCUNUSJKZTHKR-UHFFFAOYSA-N -1 3 255.701 1.713 20 10 CDCDHM O=C1CCN(Cc2c([O-])ccc(F)c2Cl)CCN1 ZINC001237122019 944661454 /nfs/dbraw/zinc/66/14/54/944661454.db2.gz QRYDVLYYJOUTNJ-UHFFFAOYSA-N -1 3 272.707 1.507 20 10 CDCDHM COc1ccc(C[N@H+](C)CCCC(=O)[O-])c([O-])c1OC ZINC001594092000 958354470 /nfs/dbraw/zinc/35/44/70/958354470.db2.gz GUILAOOACZUJQI-UHFFFAOYSA-N -1 3 283.324 1.706 20 10 CDCDHM COc1ccc(C[N@@H+](C)CCCC(=O)[O-])c([O-])c1OC ZINC001594092000 958354485 /nfs/dbraw/zinc/35/44/85/958354485.db2.gz GUILAOOACZUJQI-UHFFFAOYSA-N -1 3 283.324 1.706 20 10 CDCDHM CC[C@@H](CCO)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001595128103 979523835 /nfs/dbraw/zinc/52/38/35/979523835.db2.gz GTAGILISZWRZFH-KOLCDFICSA-N -1 3 267.325 1.902 20 10 CDCDHM C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593261111 994548500 /nfs/dbraw/zinc/54/85/00/994548500.db2.gz KOMNAEVPVYDKQV-RDDDGLTNSA-N -1 3 289.278 1.757 20 10 CDCDHM COc1cc(C)c(C[NH2+]CC(C)(C)C(=O)[O-])c([O-])c1 ZINC001599390940 997033819 /nfs/dbraw/zinc/03/38/19/997033819.db2.gz CMIWCDDTXLQANX-UHFFFAOYSA-N -1 3 267.325 1.910 20 10 CDCDHM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(O)c1[O-] ZINC000126615664 342220653 /nfs/dbraw/zinc/22/06/53/342220653.db2.gz ACTFQBSOWMJVBM-KGLIPLIRSA-N -1 3 285.299 1.486 20 10 CDCDHM COCCc1noc(CN(C)Cc2cc(F)ccc2[O-])n1 ZINC000180185475 357249222 /nfs/dbraw/zinc/24/92/22/357249222.db2.gz NKSPOEHCLZNNFO-UHFFFAOYSA-N -1 3 295.314 1.735 20 10 CDCDHM C[C@@H]1[C@H](C)N(Cc2cc(F)ccc2[O-])CCS1(=O)=O ZINC000180180165 357249383 /nfs/dbraw/zinc/24/93/83/357249383.db2.gz OMURDONDGLQQEI-VHSXEESVSA-N -1 3 287.356 1.539 20 10 CDCDHM CCCN1CCCN(Cc2ccccc2[O-])CC1=O ZINC000189216178 357983828 /nfs/dbraw/zinc/98/38/28/357983828.db2.gz WEJKIOSFHFSLBI-UHFFFAOYSA-N -1 3 262.353 1.837 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2CO)c([O-])c1O ZINC000189512361 358020090 /nfs/dbraw/zinc/02/00/90/358020090.db2.gz GBGSOKDBRGJSBP-KCJUWKMLSA-N -1 3 265.309 1.249 20 10 CDCDHM C[C@H](O)CN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000189855090 358042866 /nfs/dbraw/zinc/04/28/66/358042866.db2.gz ZHWQXEVKSCZVID-NSHDSACASA-N -1 3 284.787 1.544 20 10 CDCDHM CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000297032404 200067516 /nfs/dbraw/zinc/06/75/16/200067516.db2.gz VDOMVIDDQPWKOL-SNVBAGLBSA-N -1 3 295.335 1.820 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)CCOCCO)c1[O-] ZINC000282640679 360788845 /nfs/dbraw/zinc/78/88/45/360788845.db2.gz ZGQXXCAZWANFQH-UHFFFAOYSA-N -1 3 285.315 1.175 20 10 CDCDHM Cc1ccc(C(=O)NC2(C(N)=O)CCCCC2)c([O-])c1O ZINC000272891565 365434124 /nfs/dbraw/zinc/43/41/24/365434124.db2.gz ZKLUDGFTVCGLEP-UHFFFAOYSA-N -1 3 292.335 1.324 20 10 CDCDHM CCCNC(=O)CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273387145 365491289 /nfs/dbraw/zinc/49/12/89/365491289.db2.gz JWBVUGRSIZPSEC-SNVBAGLBSA-N -1 3 294.351 1.356 20 10 CDCDHM CCCOc1ccc(CN2C[C@H](F)C[C@H]2C(N)=O)c([O-])c1 ZINC000284492920 368526492 /nfs/dbraw/zinc/52/64/92/368526492.db2.gz BYZGTMAHKCKHKS-YPMHNXCESA-N -1 3 296.342 1.579 20 10 CDCDHM CC[C@@H](C)[C@@H](CNC(=O)c1cccc(O)c1[O-])OC ZINC000294239941 371357337 /nfs/dbraw/zinc/35/73/37/371357337.db2.gz PCXSXRBGGTUSQF-BXKDBHETSA-N -1 3 267.325 1.889 20 10 CDCDHM CS(=O)(=O)C[C@H]1CCCN(Cc2ccccc2[O-])C1 ZINC000293948662 371348629 /nfs/dbraw/zinc/34/86/29/371348629.db2.gz OWASRELPVWNVJF-LBPRGKRZSA-N -1 3 283.393 1.649 20 10 CDCDHM CO[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182323821 391232759 /nfs/dbraw/zinc/23/27/59/391232759.db2.gz UWGNOGOOGWMEFB-SNVBAGLBSA-N -1 3 265.309 1.657 20 10 CDCDHM Cc1c(CNC(=O)c2ccc(C)c(O)c2[O-])cnn1C ZINC000182941013 391246972 /nfs/dbraw/zinc/24/69/72/391246972.db2.gz UIQHMSXUJQYBAX-UHFFFAOYSA-N -1 3 275.308 1.378 20 10 CDCDHM COC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCC1 ZINC000183025742 391248328 /nfs/dbraw/zinc/24/83/28/391248328.db2.gz RZRVOYMGLWSXHV-UHFFFAOYSA-N -1 3 265.309 1.705 20 10 CDCDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccccc1[O-] ZINC000179575603 391212990 /nfs/dbraw/zinc/21/29/90/391212990.db2.gz JXYBWWVDSSJGOM-QWRGUYRKSA-N -1 3 271.382 1.646 20 10 CDCDHM Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)c([O-])c1O ZINC000177670535 261710914 /nfs/dbraw/zinc/71/09/14/261710914.db2.gz OBMDQPUJPJUOEF-ZJUUUORDSA-N -1 3 265.309 1.656 20 10 CDCDHM COc1cc(Cl)cc(CN(C)CC(=O)NC2CC2)c1[O-] ZINC000184675320 262026388 /nfs/dbraw/zinc/02/63/88/262026388.db2.gz JNKYVPWJDAIEDB-UHFFFAOYSA-N -1 3 298.770 1.765 20 10 CDCDHM CC[C@H](CCO)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590439965 1173411270 /nfs/dbraw/zinc/41/12/70/1173411270.db2.gz VCCGFEISZXWQIZ-VHSXEESVSA-N -1 3 291.355 1.384 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2OCCC[C@H]2C1 ZINC000187197451 329354388 /nfs/dbraw/zinc/35/43/88/329354388.db2.gz RMWAHIGHTICOEZ-GWCFXTLKSA-N -1 3 277.320 1.739 20 10 CDCDHM COCCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000042459779 523619847 /nfs/dbraw/zinc/61/98/47/523619847.db2.gz MJZMQPCOPSOFQA-UHFFFAOYSA-N -1 3 255.289 1.812 20 10 CDCDHM COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC000276626584 523712608 /nfs/dbraw/zinc/71/26/08/523712608.db2.gz PAZANSQDTRJASR-VHSXEESVSA-N -1 3 293.319 1.369 20 10 CDCDHM CNC(=O)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000037224787 524074724 /nfs/dbraw/zinc/07/47/24/524074724.db2.gz KVSRTCVPGSSMOA-UHFFFAOYSA-N -1 3 263.124 1.535 20 10 CDCDHM Cc1nnc([C@H](C)NC(=O)c2cccc(O)c2[O-])s1 ZINC000280547884 526404810 /nfs/dbraw/zinc/40/48/10/526404810.db2.gz TVIHQTNBLWOYGM-LURJTMIESA-N -1 3 279.321 1.749 20 10 CDCDHM O=C([O-])[C@H](CC1CCOCC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601643374 1174924574 /nfs/dbraw/zinc/92/45/74/1174924574.db2.gz OERVARIFYUYZIN-ZDUSSCGKSA-N -1 3 297.326 1.891 20 10 CDCDHM CC1(C)COCCN1CCNC(=O)c1cc([O-])cs1 ZINC000732285966 575086998 /nfs/dbraw/zinc/08/69/98/575086998.db2.gz LNEMBRPIYKYSOU-UHFFFAOYSA-N -1 3 284.381 1.294 20 10 CDCDHM O=C(NCCCN1CCCCC1=O)c1cc([O-])cs1 ZINC000732289249 575087108 /nfs/dbraw/zinc/08/71/08/575087108.db2.gz NNQNGIHDGAPQCH-UHFFFAOYSA-N -1 3 282.365 1.586 20 10 CDCDHM CCN(C(=O)c1cc([O-])cs1)[C@@H](C)CS(C)(=O)=O ZINC000733002318 575100058 /nfs/dbraw/zinc/10/00/58/575100058.db2.gz ZJIAFARUTMKFDT-QMMMGPOBSA-N -1 3 291.394 1.349 20 10 CDCDHM COc1cccc([O-])c1CN1CCS(=O)(=O)C[C@@H](C)C1 ZINC000763674783 576746976 /nfs/dbraw/zinc/74/69/76/576746976.db2.gz ZCJGCXNJBNSZCX-NSHDSACASA-N -1 3 299.392 1.267 20 10 CDCDHM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc([O-])cs1 ZINC000748319640 576904879 /nfs/dbraw/zinc/90/48/79/576904879.db2.gz FLSUFCQWBZZVFW-RKDXNWHRSA-N -1 3 255.339 1.735 20 10 CDCDHM COc1cccc([O-])c1CNCc1cc(C)ncn1 ZINC000756991839 577018842 /nfs/dbraw/zinc/01/88/42/577018842.db2.gz YYHPAUSUWHYTIT-UHFFFAOYSA-N -1 3 259.309 1.789 20 10 CDCDHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000833170585 605000326 /nfs/dbraw/zinc/00/03/26/605000326.db2.gz YUMCVUQWIDSCFL-HNNXBMFYSA-N -1 3 284.315 1.932 20 10 CDCDHM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1O ZINC000897680896 621068967 /nfs/dbraw/zinc/06/89/67/621068967.db2.gz MVSFQLGJWYDDFC-HQJQHLMTSA-N -1 3 259.708 1.997 20 10 CDCDHM CC[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000912119394 629792218 /nfs/dbraw/zinc/79/22/18/629792218.db2.gz PDPZARGLIKJCOI-RYUDHWBXSA-N -1 3 279.336 1.863 20 10 CDCDHM COCCn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000126317781 1165963187 /nfs/dbraw/zinc/96/31/87/1165963187.db2.gz NKMDVJJYZCZTTC-UHFFFAOYSA-N -1 3 277.280 1.193 20 10 CDCDHM C[C@@H]([NH2+][C@H]1C=CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952017 1173207920 /nfs/dbraw/zinc/20/79/20/1173207920.db2.gz MYMNYXYZPVEEHV-ZJUUUORDSA-N -1 3 271.324 1.942 20 10 CDCDHM CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604039107 1175728750 /nfs/dbraw/zinc/72/87/50/1175728750.db2.gz GFKQKSHILMREAU-UWVGGRQHSA-N -1 3 291.355 1.648 20 10 CDCDHM COCCOCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610260867 1165278593 /nfs/dbraw/zinc/27/85/93/1165278593.db2.gz BJGLCJCXCPTUNZ-JTQLQIEISA-N -1 3 283.324 1.404 20 10 CDCDHM O=C1N[C@H]2CN(Cc3cccc(Cl)c3[O-])CC[C@@H]2CO1 ZINC000281119681 758964176 /nfs/dbraw/zinc/96/41/76/758964176.db2.gz BYUBNMFWCHXWQL-PWSUYJOCSA-N -1 3 296.754 1.976 20 10 CDCDHM CC1(O)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000877581061 768825695 /nfs/dbraw/zinc/82/56/95/768825695.db2.gz MEWXXHIJMCAHQB-UHFFFAOYSA-N -1 3 272.142 1.721 20 10 CDCDHM CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(N)cc1 ZINC000877075992 769521685 /nfs/dbraw/zinc/52/16/85/769521685.db2.gz ICCUWHSJIWVCFT-UHFFFAOYSA-N -1 3 284.319 1.918 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000093082257 770786171 /nfs/dbraw/zinc/78/61/71/770786171.db2.gz GWYXMEHIXTYIAY-GFCCVEGCSA-N -1 3 285.727 1.419 20 10 CDCDHM COC[C@@H]1CCCN1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000862594451 770825843 /nfs/dbraw/zinc/82/58/43/770825843.db2.gz FKINORQUSZJOLR-JTQLQIEISA-N -1 3 280.324 1.162 20 10 CDCDHM CCn1cc(CNCc2cc(F)cc(F)c2[O-])nn1 ZINC000708481716 770887388 /nfs/dbraw/zinc/88/73/88/770887388.db2.gz UCYNTRKRLZGFTL-UHFFFAOYSA-N -1 3 268.267 1.572 20 10 CDCDHM Cc1ncc(NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000780929649 771004412 /nfs/dbraw/zinc/00/44/12/771004412.db2.gz WPXPKXDGBVIHNH-UHFFFAOYSA-N -1 3 259.265 1.757 20 10 CDCDHM COCCN(CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775679319 771275307 /nfs/dbraw/zinc/27/53/07/771275307.db2.gz WUAAMOXQULTCJV-UHFFFAOYSA-N -1 3 277.723 1.625 20 10 CDCDHM CCn1ncc(CNCc2cc(Cl)ccc2[O-])n1 ZINC000846055820 771546905 /nfs/dbraw/zinc/54/69/05/771546905.db2.gz OQAYJQNPCSWISM-UHFFFAOYSA-N -1 3 266.732 1.947 20 10 CDCDHM CC(C)NC(=O)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000777743468 772468228 /nfs/dbraw/zinc/46/82/28/772468228.db2.gz BJLMAPLUJVGGFS-SECBINFHSA-N -1 3 281.312 1.303 20 10 CDCDHM C[C@H]1CN(C)C(=O)CN1Cc1cc(F)ccc1[O-] ZINC000783733541 772613216 /nfs/dbraw/zinc/61/32/16/772613216.db2.gz MDCKVGJEWYVXFM-VIFPVBQESA-N -1 3 252.289 1.194 20 10 CDCDHM O=C1CN(Cc2c([O-])cccc2Br)CCN1 ZINC000862211719 772616695 /nfs/dbraw/zinc/61/66/95/772616695.db2.gz BKAZBXUEZPDKAG-UHFFFAOYSA-N -1 3 285.141 1.087 20 10 CDCDHM O=C(NCc1ccc(O)c(O)c1)c1cccc2n[n-]nc21 ZINC000188555395 772766046 /nfs/dbraw/zinc/76/60/46/772766046.db2.gz UTPFSJJMZRNZIE-UHFFFAOYSA-N -1 3 284.275 1.299 20 10 CDCDHM C[C@@H]1[C@H](C)OCCN1C(=O)c1cccc(O)c1[O-] ZINC000193137457 772824022 /nfs/dbraw/zinc/82/40/22/772824022.db2.gz VCYNZSBBIIDNFI-BDAKNGLRSA-N -1 3 251.282 1.347 20 10 CDCDHM COCCNC(=O)C1(N[C@H](C)c2c([O-])cccc2F)CC1 ZINC000886625303 773318106 /nfs/dbraw/zinc/31/81/06/773318106.db2.gz NDMMMGQBEZRNEN-SNVBAGLBSA-N -1 3 296.342 1.477 20 10 CDCDHM CCC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000189541205 773423205 /nfs/dbraw/zinc/42/32/05/773423205.db2.gz VMLIODNNSFAJJC-JTQLQIEISA-N -1 3 265.309 1.739 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H](N2CCOCC2)C1 ZINC001139683643 936635313 /nfs/dbraw/zinc/63/53/13/936635313.db2.gz PJDWGIPZYQHZGW-NSHDSACASA-N -1 3 298.333 1.577 20 10 CDCDHM CS(=O)(=O)[C@@H]1CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140466948 936712566 /nfs/dbraw/zinc/71/25/66/936712566.db2.gz NIRLFRHHOZDVHB-LLVKDONJSA-N -1 3 289.784 1.665 20 10 CDCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])CC(=O)N1 ZINC001140461643 936712809 /nfs/dbraw/zinc/71/28/09/936712809.db2.gz OQMNJUBFVBTGKL-QMMMGPOBSA-N -1 3 254.717 1.366 20 10 CDCDHM CCOC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140467296 936712996 /nfs/dbraw/zinc/71/29/96/936712996.db2.gz UXMLOGLNVKBYFN-ZDUSSCGKSA-N -1 3 299.754 1.810 20 10 CDCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1CO ZINC000700389428 922219569 /nfs/dbraw/zinc/21/95/69/922219569.db2.gz IIBALSNIFXMZHQ-UWVGGRQHSA-N -1 3 265.309 1.188 20 10 CDCDHM CN1CC2(C1)CN(C(=O)c1cc(O)c([O-])c(Cl)c1)C2 ZINC001193613065 923806508 /nfs/dbraw/zinc/80/65/08/923806508.db2.gz YWBJCUZLYSCZNS-UHFFFAOYSA-N -1 3 282.727 1.139 20 10 CDCDHM COc1cc([N-]S(=O)(=O)c2ccc(O)cc2)ccc1O ZINC001195794653 924736388 /nfs/dbraw/zinc/73/63/88/924736388.db2.gz DTCHFJIWYVIDJC-UHFFFAOYSA-N -1 3 295.316 1.907 20 10 CDCDHM COc1cc(NS(=O)(=O)c2ccc([O-])cc2)ccc1O ZINC001195794653 924736392 /nfs/dbraw/zinc/73/63/92/924736392.db2.gz DTCHFJIWYVIDJC-UHFFFAOYSA-N -1 3 295.316 1.907 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1O ZINC001142508726 937024945 /nfs/dbraw/zinc/02/49/45/937024945.db2.gz JOXZWIPFEXZZCC-KBPBESRZSA-N -1 3 287.306 1.236 20 10 CDCDHM N=C(NC(=O)c1cc(O)c([O-])c(O)c1)c1nccs1 ZINC001148589895 932753954 /nfs/dbraw/zinc/75/39/54/932753954.db2.gz PVBPJQRBRFXDCV-UHFFFAOYSA-N -1 3 279.277 1.015 20 10 CDCDHM C[C@H](CCCC(C)(C)O)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589896 932754539 /nfs/dbraw/zinc/75/45/39/932754539.db2.gz PVZVQEVBMGDTGQ-SECBINFHSA-N -1 3 297.351 1.863 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)c1cnc2cccnn21 ZINC001156170409 938327547 /nfs/dbraw/zinc/32/75/47/938327547.db2.gz NDRUFXZREFYIHJ-UHFFFAOYSA-N -1 3 286.266 1.504 20 10 CDCDHM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@@H]1O ZINC001231447001 942894430 /nfs/dbraw/zinc/89/44/30/942894430.db2.gz NIPAZYYWHUHGAB-CABZTGNLSA-N -1 3 265.309 1.293 20 10 CDCDHM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@@H]1O ZINC001231447001 942894432 /nfs/dbraw/zinc/89/44/32/942894432.db2.gz NIPAZYYWHUHGAB-CABZTGNLSA-N -1 3 265.309 1.293 20 10 CDCDHM COCCOC1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232266125 943193979 /nfs/dbraw/zinc/19/39/79/943193979.db2.gz QXNOSMLJALSPJY-UHFFFAOYSA-N -1 3 287.743 1.598 20 10 CDCDHM Cc1ncsc1CCNC(=O)c1cccc(O)c1[O-] ZINC000391333388 944208963 /nfs/dbraw/zinc/20/89/63/944208963.db2.gz YARWNWXYGDEHRN-UHFFFAOYSA-N -1 3 278.333 1.835 20 10 CDCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H](CO)[C@H](O)C1 ZINC001236792062 944570664 /nfs/dbraw/zinc/57/06/64/944570664.db2.gz AYRNGDOKDACGBJ-PRHODGIISA-N -1 3 292.162 1.484 20 10 CDCDHM NC(=O)c1csc(CNCc2c([O-])cccc2Cl)n1 ZINC001308467910 956532940 /nfs/dbraw/zinc/53/29/40/956532940.db2.gz DUOZCZLNRZIGDI-UHFFFAOYSA-N -1 3 297.767 1.891 20 10 CDCDHM Cc1cc(Cl)cc(C[NH2+]C[C@](C)(O)C(=O)[O-])c1[O-] ZINC001594308125 957987519 /nfs/dbraw/zinc/98/75/19/957987519.db2.gz MBLBPFIJUXDDJZ-LBPRGKRZSA-N -1 3 273.716 1.279 20 10 CDCDHM C[C@@H]([NH2+]CCCCCO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593263992 994561783 /nfs/dbraw/zinc/56/17/83/994561783.db2.gz DNHSBZGLYCQBIX-SNVBAGLBSA-N -1 3 267.325 1.904 20 10 CDCDHM O=C([O-])[C@H](Cc1cncs1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601662017 1126225332 /nfs/dbraw/zinc/22/53/32/1126225332.db2.gz IPYQGOYFIRHRKO-NSHDSACASA-N -1 3 296.323 1.773 20 10 CDCDHM CCN(Cc1cc(F)ccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000180153699 357247268 /nfs/dbraw/zinc/24/72/68/357247268.db2.gz YJSAEDKMYUQPSL-SNVBAGLBSA-N -1 3 289.372 1.786 20 10 CDCDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(F)ccc1[O-] ZINC000180159603 357248252 /nfs/dbraw/zinc/24/82/52/357248252.db2.gz MLJJAFRGQNYEMK-UWVGGRQHSA-N -1 3 289.372 1.785 20 10 CDCDHM CCN1CC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1[O-] ZINC000189870703 358043078 /nfs/dbraw/zinc/04/30/78/358043078.db2.gz YAYXCOPPELLARP-LBPRGKRZSA-N -1 3 270.716 1.505 20 10 CDCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000193063048 358261526 /nfs/dbraw/zinc/26/15/26/358261526.db2.gz QRWKVVRUYLIGCD-UWVGGRQHSA-N -1 3 265.309 1.737 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)CCC(N)=O)c1[O-] ZINC000286497620 359065159 /nfs/dbraw/zinc/06/51/59/359065159.db2.gz PJJOOXXERIEFDR-UHFFFAOYSA-N -1 3 268.288 1.041 20 10 CDCDHM CN(Cc1nc[nH]n1)Cc1c([O-])cccc1Cl ZINC000271163715 364954075 /nfs/dbraw/zinc/95/40/75/364954075.db2.gz FAICAMPSMKUDQB-UHFFFAOYSA-N -1 3 252.705 1.796 20 10 CDCDHM CN(Cc1nnc[nH]1)Cc1c([O-])cccc1Cl ZINC000271163715 364954078 /nfs/dbraw/zinc/95/40/78/364954078.db2.gz FAICAMPSMKUDQB-UHFFFAOYSA-N -1 3 252.705 1.796 20 10 CDCDHM COC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000272744337 365377203 /nfs/dbraw/zinc/37/72/03/365377203.db2.gz MTAOGEDAGRCCOW-JTQLQIEISA-N -1 3 279.292 1.088 20 10 CDCDHM CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@@H]1O ZINC000273028080 365464865 /nfs/dbraw/zinc/46/48/65/365464865.db2.gz SHLHDYLBYRWLSQ-ONGXEEELSA-N -1 3 265.309 1.249 20 10 CDCDHM CCCNC(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273425728 365494582 /nfs/dbraw/zinc/49/45/82/365494582.db2.gz TZXTUQOKJYKKPA-SECBINFHSA-N -1 3 281.312 1.477 20 10 CDCDHM CCOCC(C)(C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000293881629 370839215 /nfs/dbraw/zinc/83/92/15/370839215.db2.gz KZUSRMJOGOMQKE-UHFFFAOYSA-N -1 3 267.325 1.951 20 10 CDCDHM COc1ccc(CN(C)Cc2ccccc2[O-])nn1 ZINC000283032731 368156696 /nfs/dbraw/zinc/15/66/96/368156696.db2.gz HUKNTRYLZIRFGT-UHFFFAOYSA-N -1 3 259.309 1.823 20 10 CDCDHM Cc1ccc(C(=O)N(C)CCCn2ccnc2)c([O-])c1O ZINC000182829851 391245590 /nfs/dbraw/zinc/24/55/90/391245590.db2.gz ZYTCPXYETCWTLI-UHFFFAOYSA-N -1 3 289.335 1.765 20 10 CDCDHM CN(C)[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000186755336 262108960 /nfs/dbraw/zinc/10/89/60/262108960.db2.gz BPPBPDLPXVGIHH-NSHDSACASA-N -1 3 290.319 1.724 20 10 CDCDHM C/C=C/C[C@@H](CO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000187149306 262126065 /nfs/dbraw/zinc/12/60/65/262126065.db2.gz NFJUROXMJZIUBA-FSIBCCDJSA-N -1 3 265.309 1.463 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ccccn2)CC1 ZINC000184771011 262298617 /nfs/dbraw/zinc/29/86/17/262298617.db2.gz WIXDXJHKGLZUNP-UHFFFAOYSA-N -1 3 299.330 1.455 20 10 CDCDHM CCN(CC(C)(C)O)C(=O)c1cccc(O)c1[O-] ZINC000126475470 264220936 /nfs/dbraw/zinc/22/09/36/264220936.db2.gz OEKDLEXARDGWEK-UHFFFAOYSA-N -1 3 253.298 1.331 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000375694628 267888534 /nfs/dbraw/zinc/88/85/34/267888534.db2.gz YLHBDDXDNUAPOU-GHMZBOCLSA-N -1 3 277.320 1.596 20 10 CDCDHM CCO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H]1OC ZINC000280400166 328235243 /nfs/dbraw/zinc/23/52/43/328235243.db2.gz GYFDPQUMNORHQQ-NDMJEZRESA-N -1 3 281.308 1.020 20 10 CDCDHM CCOC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](C)CC ZINC000279361965 521265818 /nfs/dbraw/zinc/26/58/18/521265818.db2.gz SUOVJPCQXYYWPI-BXKDBHETSA-N -1 3 295.335 1.805 20 10 CDCDHM CO[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1OC ZINC000234863243 523738325 /nfs/dbraw/zinc/73/83/25/523738325.db2.gz QFJNFGQPUOWQOC-OKILXGFUSA-N -1 3 297.326 1.580 20 10 CDCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000048923754 525314770 /nfs/dbraw/zinc/31/47/70/525314770.db2.gz STQCXAJWVYRGPJ-MRVPVSSYSA-N -1 3 298.364 1.292 20 10 CDCDHM Cc1ccc(C(=O)NOC[C@H]2CCOC2)c([O-])c1O ZINC000276410959 526191984 /nfs/dbraw/zinc/19/19/84/526191984.db2.gz HYKPUMAXDKVSTC-VIFPVBQESA-N -1 3 267.281 1.104 20 10 CDCDHM Cc1nnc(CCNC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000292519677 526329797 /nfs/dbraw/zinc/32/97/97/526329797.db2.gz BQENBSHAXVVDQP-UHFFFAOYSA-N -1 3 293.348 1.539 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(c2ncccn2)CC1 ZINC000731861839 575066036 /nfs/dbraw/zinc/06/60/36/575066036.db2.gz PZWZVDGPYULKFG-UHFFFAOYSA-N -1 3 290.348 1.206 20 10 CDCDHM Cn1nnnc1CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000732202522 575083135 /nfs/dbraw/zinc/08/31/35/575083135.db2.gz UWOPBGBHKRKUJS-UHFFFAOYSA-N -1 3 299.334 1.711 20 10 CDCDHM O=C(Nc1nn2cnnc2s1)c1cc([O-])cs1 ZINC000732266366 575084714 /nfs/dbraw/zinc/08/47/14/575084714.db2.gz AKXPXXOFOAIIMF-UHFFFAOYSA-N -1 3 267.295 1.205 20 10 CDCDHM C[C@H](Cn1cccn1)NC(=O)c1cc([O-])cs1 ZINC000732271333 575085351 /nfs/dbraw/zinc/08/53/51/575085351.db2.gz HCTLPQCQZXNEDG-MRVPVSSYSA-N -1 3 251.311 1.469 20 10 CDCDHM O=C(CCCNC(=O)c1cc([O-])cs1)NC1CC1 ZINC000732272091 575085483 /nfs/dbraw/zinc/08/54/83/575085483.db2.gz GVHLENXBWRQHGI-UHFFFAOYSA-N -1 3 268.338 1.242 20 10 CDCDHM CCOc1ccc(CN2CCCC[C@@H]2C(N)=O)c([O-])c1 ZINC000768179982 576262398 /nfs/dbraw/zinc/26/23/98/576262398.db2.gz QVZDXEHBQPAQLJ-CYBMUJFWSA-N -1 3 278.352 1.631 20 10 CDCDHM CN(CCCn1ccnc1)C(=O)c1cc([O-])cs1 ZINC000768323604 576271799 /nfs/dbraw/zinc/27/17/99/576271799.db2.gz KYGMWLAOGCGWSC-UHFFFAOYSA-N -1 3 265.338 1.813 20 10 CDCDHM CC(=O)OC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000753831630 576861341 /nfs/dbraw/zinc/86/13/41/576861341.db2.gz VVCDGXDGTZFGCF-UHFFFAOYSA-N -1 3 269.322 1.621 20 10 CDCDHM O=C(NCCOc1ncccc1F)c1cc([O-])cs1 ZINC000747616380 576877127 /nfs/dbraw/zinc/87/71/27/576877127.db2.gz IBPNKAGNHCJQBD-UHFFFAOYSA-N -1 3 282.296 1.797 20 10 CDCDHM CO[C@@H](C)c1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000747700457 576881002 /nfs/dbraw/zinc/88/10/02/576881002.db2.gz KGQGHQLRCBMMLU-LURJTMIESA-N -1 3 284.293 1.901 20 10 CDCDHM COC(=O)[C@@]1(F)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000752812375 577128890 /nfs/dbraw/zinc/12/88/90/577128890.db2.gz GNBZYBULXBVXHA-LLVKDONJSA-N -1 3 273.285 1.181 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000759099215 577152326 /nfs/dbraw/zinc/15/23/26/577152326.db2.gz KHTJHBLDOGKBOC-UWVGGRQHSA-N -1 3 280.349 1.337 20 10 CDCDHM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1cccc(O)c1[O-] ZINC000891047787 617356248 /nfs/dbraw/zinc/35/62/48/617356248.db2.gz GQRQIZKXWJHMJP-GHMZBOCLSA-N -1 3 263.293 1.253 20 10 CDCDHM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(O)cc1 ZINC000019733581 1172247032 /nfs/dbraw/zinc/24/70/32/1172247032.db2.gz FFSJGFDMFMKKBP-UHFFFAOYSA-N -1 3 293.300 1.922 20 10 CDCDHM O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc([O-])cc1 ZINC000019733581 1172247037 /nfs/dbraw/zinc/24/70/37/1172247037.db2.gz FFSJGFDMFMKKBP-UHFFFAOYSA-N -1 3 293.300 1.922 20 10 CDCDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1O ZINC001580309120 1172399269 /nfs/dbraw/zinc/39/92/69/1172399269.db2.gz KYCXJQXAVMXDET-MRVPVSSYSA-N -1 3 298.306 1.391 20 10 CDCDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1O ZINC001580309120 1172399274 /nfs/dbraw/zinc/39/92/74/1172399274.db2.gz KYCXJQXAVMXDET-MRVPVSSYSA-N -1 3 298.306 1.391 20 10 CDCDHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(O)cc1F ZINC000193340146 773823329 /nfs/dbraw/zinc/82/33/29/773823329.db2.gz HABOZKIUTKTBIW-SSDOTTSWSA-N -1 3 263.290 1.308 20 10 CDCDHM [O-]c1c(CN2CC3(C2)CCOC3)ccc(F)c1F ZINC000877554070 774279857 /nfs/dbraw/zinc/27/98/57/774279857.db2.gz CYSCYGIFVMEWJV-UHFFFAOYSA-N -1 3 255.264 1.893 20 10 CDCDHM O=C(NCCO[C@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000854552439 774586112 /nfs/dbraw/zinc/58/61/12/774586112.db2.gz TYVRHXFXVMFUOK-LBPRGKRZSA-N -1 3 281.308 1.371 20 10 CDCDHM CNC(=O)Cn1cc(NCc2c([O-])cccc2Cl)cn1 ZINC000083552366 774861540 /nfs/dbraw/zinc/86/15/40/774861540.db2.gz HDRWHUPJYZDIHZ-UHFFFAOYSA-N -1 3 294.742 1.600 20 10 CDCDHM CCC[C@@H](CCO)NC(=O)c1cccc(O)c1[O-] ZINC000716949794 774875127 /nfs/dbraw/zinc/87/51/27/774875127.db2.gz UYJZOKYKZZZHJX-VIFPVBQESA-N -1 3 253.298 1.379 20 10 CDCDHM CO[C@@H]([C@@H](C)NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000388281560 774878646 /nfs/dbraw/zinc/87/86/46/774878646.db2.gz MRXMXSLXWAIGGD-OQPBUACISA-N -1 3 265.309 1.641 20 10 CDCDHM CC[C@@]1(O)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790944494 775841374 /nfs/dbraw/zinc/84/13/74/775841374.db2.gz ZPTZWOUECBFCOE-CYBMUJFWSA-N -1 3 251.282 1.085 20 10 CDCDHM C[C@H](NCc1cncn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000289682758 776304749 /nfs/dbraw/zinc/30/47/49/776304749.db2.gz HTUZJJIAKOUYGJ-VIFPVBQESA-N -1 3 276.296 1.885 20 10 CDCDHM COCCn1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000188356110 776625503 /nfs/dbraw/zinc/62/55/03/776625503.db2.gz JRONJXXYIYOHSG-UHFFFAOYSA-N -1 3 277.280 1.193 20 10 CDCDHM CCC[C@H](O)CCNC(=O)c1cccc(O)c1[O-] ZINC000832666211 776689414 /nfs/dbraw/zinc/68/94/14/776689414.db2.gz BICSWJVTRXSUSR-VIFPVBQESA-N -1 3 253.298 1.379 20 10 CDCDHM COCc1cnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000804305924 777137743 /nfs/dbraw/zinc/13/77/43/777137743.db2.gz YKAHMPQUUGHRED-UHFFFAOYSA-N -1 3 280.305 1.953 20 10 CDCDHM CN(CC(=O)N1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC000179675916 777147899 /nfs/dbraw/zinc/14/78/99/777147899.db2.gz GLXFEWNGVUNAFC-UHFFFAOYSA-N -1 3 298.770 1.336 20 10 CDCDHM COCc1nc(CNC(=O)c2cccc(O)c2[O-])cs1 ZINC000812266201 777257251 /nfs/dbraw/zinc/25/72/51/777257251.db2.gz XXAWOXGHOKNDMD-UHFFFAOYSA-N -1 3 294.332 1.631 20 10 CDCDHM CC1(C)C[C@@](C)(NC(=O)c2cccc(O)c2[O-])C(=O)O1 ZINC000848146497 777598794 /nfs/dbraw/zinc/59/87/94/777598794.db2.gz BYAVWUFWRUVPAR-CQSZACIVSA-N -1 3 279.292 1.312 20 10 CDCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])Cn1cccn1 ZINC000186951717 778175040 /nfs/dbraw/zinc/17/50/40/778175040.db2.gz ZHAWLIOVHLGYIT-JTQLQIEISA-N -1 3 275.308 1.360 20 10 CDCDHM CO[C@](C)(CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000311691420 779202646 /nfs/dbraw/zinc/20/26/46/779202646.db2.gz KLBMFLIJRLSELY-CQSZACIVSA-N -1 3 265.309 1.643 20 10 CDCDHM COC(=O)c1[nH]c(C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000776652114 779369361 /nfs/dbraw/zinc/36/93/61/779369361.db2.gz LUEDRUUGXWZUDP-UHFFFAOYSA-N -1 3 290.275 1.773 20 10 CDCDHM CN(C)c1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000182680934 779592902 /nfs/dbraw/zinc/59/29/02/779592902.db2.gz GENGQVRGXZDATF-UHFFFAOYSA-N -1 3 295.346 1.954 20 10 CDCDHM CCN(CC(=O)NC)Cc1cc(F)cc(F)c1[O-] ZINC000708381445 779829181 /nfs/dbraw/zinc/82/91/81/779829181.db2.gz AYBAVYYTVZBWFI-UHFFFAOYSA-N -1 3 258.268 1.238 20 10 CDCDHM COC(=O)[C@@H](C)NCc1ccc(Br)cc1[O-] ZINC000691451448 914425042 /nfs/dbraw/zinc/42/50/42/914425042.db2.gz BKFWGVQHZJZNTO-SSDOTTSWSA-N -1 3 288.141 1.806 20 10 CDCDHM COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(F)ccc1[O-] ZINC001140058226 936675265 /nfs/dbraw/zinc/67/52/65/936675265.db2.gz VPAQRYQMBILQOV-QWRGUYRKSA-N -1 3 271.263 1.617 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CC(N2CCOCC2)C1 ZINC001140466927 936712602 /nfs/dbraw/zinc/71/26/02/936712602.db2.gz MMINQSJQKRYGAE-UHFFFAOYSA-N -1 3 282.771 1.562 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CCN1C ZINC001140583663 936727771 /nfs/dbraw/zinc/72/77/71/936727771.db2.gz QFDXQHNNSVZROJ-SECBINFHSA-N -1 3 256.296 1.806 20 10 CDCDHM O=C1NC2(CO1)CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140584160 936728094 /nfs/dbraw/zinc/72/80/94/936728094.db2.gz GMPUBYRKRSCEJE-UHFFFAOYSA-N -1 3 298.289 1.745 20 10 CDCDHM CCOC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])c[nH]1 ZINC001148212131 932668209 /nfs/dbraw/zinc/66/82/09/932668209.db2.gz NOJWWMQWXQSLHF-UHFFFAOYSA-N -1 3 290.275 1.855 20 10 CDCDHM COCc1n[nH]c2c1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001148213614 932668522 /nfs/dbraw/zinc/66/85/22/932668522.db2.gz IDPADCQRJCFDBV-UHFFFAOYSA-N -1 3 289.291 1.123 20 10 CDCDHM N=c1c(N)c(Cl)ccn1C(=O)c1cccc(O)c1[O-] ZINC001148213173 932669163 /nfs/dbraw/zinc/66/91/63/932669163.db2.gz ZFWVXTMVBHHGAT-UHFFFAOYSA-N -1 3 279.683 1.303 20 10 CDCDHM N=C(NC(=O)c1cccc(O)c1[O-])c1ccc(F)cn1 ZINC001148220110 932671446 /nfs/dbraw/zinc/67/14/46/932671446.db2.gz RLUNLLCJDCKIKJ-UHFFFAOYSA-N -1 3 275.239 1.387 20 10 CDCDHM O=C(Nc1c[nH]c2cccnc12)c1cc(O)c([O-])c(O)c1 ZINC001148581149 932751182 /nfs/dbraw/zinc/75/11/82/932751182.db2.gz MKPAFNYRENUIJY-UHFFFAOYSA-N -1 3 285.259 1.932 20 10 CDCDHM Cc1cc([O-])c(CN2C[C@H]3CN(C)C[C@@H](C2)O3)cc1Cl ZINC001276372196 935698580 /nfs/dbraw/zinc/69/85/80/935698580.db2.gz IXVCRUWKNVOVSV-BETUJISGSA-N -1 3 296.798 1.869 20 10 CDCDHM CC(C)[C@@H]1COCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231455979 942898586 /nfs/dbraw/zinc/89/85/86/942898586.db2.gz YXKVCEIVQCHJML-ZDUSSCGKSA-N -1 3 279.336 1.947 20 10 CDCDHM CCOC(=O)C1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232264637 943195081 /nfs/dbraw/zinc/19/50/81/943195081.db2.gz DQXMRJMAKFUDME-UHFFFAOYSA-N -1 3 285.727 1.746 20 10 CDCDHM COc1cc([O-])c(CN2CCNC(=O)[C@@H]2C)cc1Cl ZINC001232265197 943195514 /nfs/dbraw/zinc/19/55/14/943195514.db2.gz QZSQTEWABOPLOK-QMMMGPOBSA-N -1 3 284.743 1.375 20 10 CDCDHM COC(CN(C)Cc1ccc(F)c(F)c1[O-])OC ZINC001233078275 943487311 /nfs/dbraw/zinc/48/73/11/943487311.db2.gz OGJNHXTYIUDLNX-UHFFFAOYSA-N -1 3 261.268 1.721 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332465 943546229 /nfs/dbraw/zinc/54/62/29/943546229.db2.gz MAMNZJAUINLRNL-CYBMUJFWSA-N -1 3 257.280 1.875 20 10 CDCDHM C[C@]1(CO)CN(Cc2c([O-])ccc(F)c2F)CC[C@@H]1O ZINC001233332802 943546352 /nfs/dbraw/zinc/54/63/52/943546352.db2.gz YACCPBARVLAEHE-GXTWGEPZSA-N -1 3 287.306 1.236 20 10 CDCDHM CN(C1CN(Cc2c([O-])ccc(F)c2F)C1)[C@H]1CCOC1 ZINC001233335137 943548875 /nfs/dbraw/zinc/54/88/75/943548875.db2.gz ITYZIOWFLBFNLG-JTQLQIEISA-N -1 3 298.333 1.575 20 10 CDCDHM O=C(NCc1cc[nH]c(=O)c1)c1cccc(O)c1[O-] ZINC000392850758 944447376 /nfs/dbraw/zinc/44/73/76/944447376.db2.gz IIVOKGZGPQYJHP-UHFFFAOYSA-N -1 3 260.249 1.128 20 10 CDCDHM COc1cc([O-])c(CN2CC(C(=O)N(C)C)C2)c(Cl)c1 ZINC001236804541 944573480 /nfs/dbraw/zinc/57/34/80/944573480.db2.gz VXNPXXMHLGKEAF-UHFFFAOYSA-N -1 3 298.770 1.574 20 10 CDCDHM CC(=O)N[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237940526 945010164 /nfs/dbraw/zinc/01/01/64/945010164.db2.gz MALQPSHDOKHGIK-SNVBAGLBSA-N -1 3 286.734 1.895 20 10 CDCDHM COC[C@](C)(CC(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC001350611090 966711923 /nfs/dbraw/zinc/71/19/23/966711923.db2.gz OJHHPCPGEDXBPT-ZDUSSCGKSA-N -1 3 253.298 1.362 20 10 CDCDHM C[C@@H]([NH2+]Cc1c(C(=O)[O-])cnn1C)c1ccccc1[O-] ZINC001604994137 972587144 /nfs/dbraw/zinc/58/71/44/972587144.db2.gz WWDSDGFEQVXSBH-SECBINFHSA-N -1 3 275.308 1.675 20 10 CDCDHM C[C@H]([NH2+][C@@H](CO)CCF)c1cc(C(=O)[O-])ccc1[O-] ZINC001593209512 994239172 /nfs/dbraw/zinc/23/91/72/994239172.db2.gz MLSJYPGZFDEGIV-WCBMZHEXSA-N -1 3 271.288 1.462 20 10 CDCDHM C[C@H]([NH2+]CCC(=O)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257502 994529596 /nfs/dbraw/zinc/52/95/96/994529596.db2.gz OPSQJXWQBPCXRE-VIFPVBQESA-N -1 3 280.324 1.219 20 10 CDCDHM CCOCCN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179915768 357229123 /nfs/dbraw/zinc/22/91/23/357229123.db2.gz LGPHYDBSMSWMGX-UHFFFAOYSA-N -1 3 282.359 1.685 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](O)C2)c([O-])c1O ZINC000191344068 358127733 /nfs/dbraw/zinc/12/77/33/358127733.db2.gz ASFMCGCUAFODBD-NXEZZACHSA-N -1 3 265.309 1.297 20 10 CDCDHM C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1ccccc1[O-] ZINC000114721380 359494253 /nfs/dbraw/zinc/49/42/53/359494253.db2.gz KDJDSLSKNUFGKK-GXTWGEPZSA-N -1 3 292.379 1.508 20 10 CDCDHM COC(=O)N1CC(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273528113 291181344 /nfs/dbraw/zinc/18/13/44/291181344.db2.gz VUMKLJYXCFZOLJ-MRVPVSSYSA-N -1 3 295.295 1.402 20 10 CDCDHM Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)[n-]c(=O)n1 ZINC000268691529 364078637 /nfs/dbraw/zinc/07/86/37/364078637.db2.gz WHBFLGBHHDFKPG-UHFFFAOYSA-N -1 3 286.335 1.487 20 10 CDCDHM CC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000272777671 365392856 /nfs/dbraw/zinc/39/28/56/365392856.db2.gz UIKNSBFISCOBQF-VIFPVBQESA-N -1 3 267.281 1.088 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1[C@H]1CCCO1 ZINC000285795908 368659160 /nfs/dbraw/zinc/65/91/60/368659160.db2.gz MGFWEGGEOCPJBY-DGCLKSJQSA-N -1 3 277.320 1.881 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294690308 371084049 /nfs/dbraw/zinc/08/40/49/371084049.db2.gz GDJHASINFWHHEE-GOEBONIOSA-N -1 3 289.331 1.881 20 10 CDCDHM CCn1cc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cn1 ZINC000296888142 371935383 /nfs/dbraw/zinc/93/53/83/371935383.db2.gz IFHJJQSQZYHHGS-SECBINFHSA-N -1 3 275.308 1.805 20 10 CDCDHM CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276698387 284302767 /nfs/dbraw/zinc/30/27/67/284302767.db2.gz VLCVFWWEPMFIGB-VHSXEESVSA-N -1 3 295.339 1.818 20 10 CDCDHM COC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000185648878 262305264 /nfs/dbraw/zinc/30/52/64/262305264.db2.gz QGFOCCLLHYNFLB-SNVBAGLBSA-N -1 3 265.309 1.596 20 10 CDCDHM COCCn1cc(NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000177673397 391173756 /nfs/dbraw/zinc/17/37/56/391173756.db2.gz MLOQLKQCRYQMSP-UHFFFAOYSA-N -1 3 291.307 1.501 20 10 CDCDHM CCN(Cc1cnn(C)c1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182245044 391233003 /nfs/dbraw/zinc/23/30/03/391233003.db2.gz DZHCWYPFPVHCNL-UHFFFAOYSA-N -1 3 289.335 1.802 20 10 CDCDHM Cc1ccc(C(=O)N(C)C2(C(N)=O)CCCC2)c([O-])c1O ZINC000182909535 391247186 /nfs/dbraw/zinc/24/71/86/391247186.db2.gz CUUAIGAIHVMNCC-UHFFFAOYSA-N -1 3 292.335 1.276 20 10 CDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](C)O ZINC000281884209 391418725 /nfs/dbraw/zinc/41/87/25/391418725.db2.gz DFKCCUPVQNYURY-VIFPVBQESA-N -1 3 287.743 1.401 20 10 CDCDHM C[C@@H](NCc1cccc(Cl)c1[O-])C(=O)NCCF ZINC000281919974 391426178 /nfs/dbraw/zinc/42/61/78/391426178.db2.gz ACSMAOFCPOQNHY-MRVPVSSYSA-N -1 3 274.723 1.609 20 10 CDCDHM O=C(NC1CCC2(CC1)OCCO2)c1cccc(O)c1[O-] ZINC000126170664 260346159 /nfs/dbraw/zinc/34/61/59/260346159.db2.gz CFZLZFBKXVAUFJ-UHFFFAOYSA-N -1 3 293.319 1.513 20 10 CDCDHM CCOC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000159486579 261186732 /nfs/dbraw/zinc/18/67/32/261186732.db2.gz SMOAKMUPZGXDJG-UHFFFAOYSA-N -1 3 253.298 1.643 20 10 CDCDHM C[C@@H](NCC(=O)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000186235214 262085586 /nfs/dbraw/zinc/08/55/86/262085586.db2.gz FEMDBVUHRHWVRS-SNVBAGLBSA-N -1 3 298.770 1.555 20 10 CDCDHM Cc1noc(CCCNC(=O)c2cccc(O)c2[O-])n1 ZINC000280411192 263061443 /nfs/dbraw/zinc/06/14/43/263061443.db2.gz HFZOCGWYZUJJSA-UHFFFAOYSA-N -1 3 277.280 1.152 20 10 CDCDHM C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974059 1173219740 /nfs/dbraw/zinc/21/97/40/1173219740.db2.gz ONEKHXUHPXSNHV-BDAKNGLRSA-N -1 3 291.355 1.382 20 10 CDCDHM O=C1CN(Cc2cc(Br)ccc2[O-])CCN1 ZINC000179591748 327802520 /nfs/dbraw/zinc/80/25/20/327802520.db2.gz AMJZXSQCEDZGBJ-UHFFFAOYSA-N -1 3 285.141 1.087 20 10 CDCDHM [O-]c1ccccc1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377698882 329025504 /nfs/dbraw/zinc/02/55/04/329025504.db2.gz MXCOFCSOJJRKHZ-HIFRSBDPSA-N -1 3 263.337 1.772 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001142509030 1160688851 /nfs/dbraw/zinc/68/88/51/1160688851.db2.gz URKLVHMUEPGVFN-PRHODGIISA-N -1 3 261.243 1.575 20 10 CDCDHM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000279245296 519750491 /nfs/dbraw/zinc/75/04/91/519750491.db2.gz HMIBEGYIFBFSAI-SECBINFHSA-N -1 3 281.308 1.510 20 10 CDCDHM CCNC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000292741505 521744425 /nfs/dbraw/zinc/74/44/25/521744425.db2.gz AJQPKKXELFSZNH-ZDUSSCGKSA-N -1 3 295.339 1.551 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](CO)C2CCCC2)c([O-])c1O ZINC000292093188 526199991 /nfs/dbraw/zinc/19/99/91/526199991.db2.gz YLLMTFNLBHHRMG-LBPRGKRZSA-N -1 3 279.336 1.687 20 10 CDCDHM NC(=O)[C@@H](NC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731864622 575066546 /nfs/dbraw/zinc/06/65/46/575066546.db2.gz AMICRHYGQSQQTD-NSHDSACASA-N -1 3 276.317 1.410 20 10 CDCDHM O=C(CNC(=O)c1cc([O-])cs1)OCc1ccccc1 ZINC000731866016 575066800 /nfs/dbraw/zinc/06/68/00/575066800.db2.gz PNBIQEFKRUKNMY-UHFFFAOYSA-N -1 3 291.328 1.927 20 10 CDCDHM CCN(CC)C(=O)CN(C)C(=O)c1cc([O-])cs1 ZINC000732260817 575084409 /nfs/dbraw/zinc/08/44/09/575084409.db2.gz ABDCNEUXWUXWMO-UHFFFAOYSA-N -1 3 270.354 1.394 20 10 CDCDHM COc1cc(CNC(=O)c2cc([O-])cs2)ccn1 ZINC000732265917 575084662 /nfs/dbraw/zinc/08/46/62/575084662.db2.gz MMIDRVLZBOCGIJ-UHFFFAOYSA-N -1 3 264.306 1.787 20 10 CDCDHM Cn1cc(NC(=O)c2cc([O-])cs2)cc1C(N)=O ZINC000732267906 575084873 /nfs/dbraw/zinc/08/48/73/575084873.db2.gz BIYBUSKERWJLEE-UHFFFAOYSA-N -1 3 265.294 1.143 20 10 CDCDHM NC(=O)CN(Cc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000732831630 575097866 /nfs/dbraw/zinc/09/78/66/575097866.db2.gz XRAOJCAEZQYUMT-UHFFFAOYSA-N -1 3 290.344 1.581 20 10 CDCDHM CCOc1ccc(CN2CCN3C(=O)NC[C@H]3C2)c([O-])c1 ZINC000770287129 575437026 /nfs/dbraw/zinc/43/70/26/575437026.db2.gz SPRJLEMKRASPEI-LBPRGKRZSA-N -1 3 291.351 1.000 20 10 CDCDHM CN(Cc1cc2c(cc1[O-])OC[C@@H]2O)CC(F)F ZINC000768450296 576284546 /nfs/dbraw/zinc/28/45/46/576284546.db2.gz JLVLEFSRDZYJBU-JTQLQIEISA-N -1 3 259.252 1.515 20 10 CDCDHM Cn1cnnc1[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000768547629 576295561 /nfs/dbraw/zinc/29/55/61/576295561.db2.gz VQAOFLKXSDDGHA-SECBINFHSA-N -1 3 278.337 1.560 20 10 CDCDHM NC(=O)CCC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000768608432 576299792 /nfs/dbraw/zinc/29/97/92/576299792.db2.gz AOSTVLCHQAIJCT-UHFFFAOYSA-N -1 3 282.365 1.571 20 10 CDCDHM CCO[C@@H]1COCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000760448893 576485190 /nfs/dbraw/zinc/48/51/90/576485190.db2.gz OWKXINMEDFWBFG-NXEZZACHSA-N -1 3 271.338 1.378 20 10 CDCDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)N(C)C ZINC000756739442 577002632 /nfs/dbraw/zinc/00/26/32/577002632.db2.gz MZMMILWXDGWOOZ-DTWKUNHWSA-N -1 3 281.312 1.428 20 10 CDCDHM CN(C)C1(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890761526 617321691 /nfs/dbraw/zinc/32/16/91/617321691.db2.gz UYRKCWKBJYKVCZ-UHFFFAOYSA-N -1 3 268.744 1.756 20 10 CDCDHM C[C@H]([NH2+]C1CC(CCO)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604328217 1163151246 /nfs/dbraw/zinc/15/12/46/1163151246.db2.gz DBOZOHXXCJSKOL-BMQDGWLCSA-N -1 3 279.336 1.902 20 10 CDCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1cccnc1 ZINC000085203905 1161339289 /nfs/dbraw/zinc/33/92/89/1161339289.db2.gz AJXHLDJCLCCOFL-UHFFFAOYSA-N -1 3 268.269 1.727 20 10 CDCDHM C[C@H]([NH2+]C1CC=CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953543 1173208372 /nfs/dbraw/zinc/20/83/72/1173208372.db2.gz DBWMIKCGCWRNGD-VIFPVBQESA-N -1 3 271.324 1.942 20 10 CDCDHM CO[C@H](C)CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591322425 1173606326 /nfs/dbraw/zinc/60/63/26/1173606326.db2.gz QNUGKYYCWOSAJH-ZJUUUORDSA-N -1 3 291.355 1.648 20 10 CDCDHM CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591323935 1173610670 /nfs/dbraw/zinc/61/06/70/1173610670.db2.gz GMKMCCCSFZLUIB-IVZWLZJFSA-N -1 3 291.355 1.646 20 10 CDCDHM CCCN(CC(=O)NC)Cc1cc(F)cc(F)c1[O-] ZINC000708411428 782525105 /nfs/dbraw/zinc/52/51/05/782525105.db2.gz AHOBKKZZQYUPCM-UHFFFAOYSA-N -1 3 272.295 1.628 20 10 CDCDHM C[C@@H](NCc1nnn(C)n1)c1ccc2ccccc2c1[O-] ZINC000398099488 780274957 /nfs/dbraw/zinc/27/49/57/780274957.db2.gz HARNPRWHGPGJLK-SNVBAGLBSA-N -1 3 283.335 1.920 20 10 CDCDHM Cc1ccc(C(=O)Nc2ccnc3ccnn32)c([O-])c1O ZINC000182463452 780483689 /nfs/dbraw/zinc/48/36/89/780483689.db2.gz RHIAUPOIYYUYTN-UHFFFAOYSA-N -1 3 284.275 1.701 20 10 CDCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)C(C)C ZINC000839866432 780845433 /nfs/dbraw/zinc/84/54/33/780845433.db2.gz FLLIMFDAGHGIMQ-PWSUYJOCSA-N -1 3 267.325 1.623 20 10 CDCDHM CCN(C)C(=O)CN[C@H](C)c1c([O-])cccc1F ZINC000886595010 781061039 /nfs/dbraw/zinc/06/10/39/781061039.db2.gz ZBIMBAGRNNXJPK-SECBINFHSA-N -1 3 254.305 1.660 20 10 CDCDHM O=C(N[C@@H]1CCOC12CCOCC2)c1cccc(O)c1[O-] ZINC000890445610 781476054 /nfs/dbraw/zinc/47/60/54/781476054.db2.gz LWJMZTFYLJGPAB-GFCCVEGCSA-N -1 3 293.319 1.166 20 10 CDCDHM COC(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000387319809 781836185 /nfs/dbraw/zinc/83/61/85/781836185.db2.gz MPDBTAAXWQRFSY-UHFFFAOYSA-N -1 3 268.288 1.415 20 10 CDCDHM C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604213198 1167853967 /nfs/dbraw/zinc/85/39/67/1167853967.db2.gz DSXHXYJCNJZVPV-LQJGKPAFSA-N -1 3 285.365 1.508 20 10 CDCDHM Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c([O-])c1O ZINC000177659500 895308183 /nfs/dbraw/zinc/30/81/83/895308183.db2.gz BCSQNNQVPZNUMV-UHFFFAOYSA-N -1 3 299.286 1.828 20 10 CDCDHM O=C(/C=C/c1ccc(O)c(O)c1)Nc1ncccc1[O-] ZINC000180992164 915763615 /nfs/dbraw/zinc/76/36/15/915763615.db2.gz ZPVMLESMCGQYJT-GQCTYLIASA-N -1 3 272.260 1.850 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](N2CCOCC2)C1 ZINC001139683642 936635091 /nfs/dbraw/zinc/63/50/91/936635091.db2.gz PJDWGIPZYQHZGW-LLVKDONJSA-N -1 3 298.333 1.577 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2c(F)ccc(F)c2[O-])C[C@@H]1C ZINC001139689664 936636139 /nfs/dbraw/zinc/63/61/39/936636139.db2.gz JKLVQIVBBXVECS-IUCAKERBSA-N -1 3 285.290 1.911 20 10 CDCDHM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCN2CCC1CC2 ZINC001193612181 923804342 /nfs/dbraw/zinc/80/43/42/923804342.db2.gz NABNZQSYRSXQQK-UHFFFAOYSA-N -1 3 296.754 1.671 20 10 CDCDHM COC(=O)[C@@H]1C[C@H](O)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000843434096 937149444 /nfs/dbraw/zinc/14/94/44/937149444.db2.gz HPJNXJDGEWEWJP-MNOVXSKESA-N -1 3 299.754 1.401 20 10 CDCDHM O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)cc1[O-] ZINC000780984020 937208560 /nfs/dbraw/zinc/20/85/60/937208560.db2.gz IRPZRMWXPMXYOF-UHFFFAOYSA-N -1 3 289.287 1.482 20 10 CDCDHM O=C(Nc1cnn2c1OCCC2)c1cccc(O)c1[O-] ZINC001148211987 932666172 /nfs/dbraw/zinc/66/61/72/932666172.db2.gz GRIAPOSQZVLXHY-UHFFFAOYSA-N -1 3 275.264 1.329 20 10 CDCDHM N=C(NC(=O)c1cccc(O)c1[O-])c1nccs1 ZINC001148219849 932669661 /nfs/dbraw/zinc/66/96/61/932669661.db2.gz BLHMHPHIXISUCZ-UHFFFAOYSA-N -1 3 263.278 1.310 20 10 CDCDHM O=C(NCc1cncn1C1CCC1)c1cccc(O)c1[O-] ZINC001148224096 932672374 /nfs/dbraw/zinc/67/23/74/932672374.db2.gz BUWDVVHGFGHJSL-UHFFFAOYSA-N -1 3 287.319 1.949 20 10 CDCDHM O=C(Nc1ccccc1CO)c1cc(O)c([O-])c(O)c1 ZINC001148587469 932752470 /nfs/dbraw/zinc/75/24/70/932752470.db2.gz IRHPBGQNHRKCAA-UHFFFAOYSA-N -1 3 275.260 1.548 20 10 CDCDHM C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccno1 ZINC001148590749 932753995 /nfs/dbraw/zinc/75/39/95/932753995.db2.gz ONWWHLBLQDMCGC-ZCFIWIBFSA-N -1 3 264.237 1.282 20 10 CDCDHM CC1(C)C[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)CCO1 ZINC001148589832 932755142 /nfs/dbraw/zinc/75/51/42/932755142.db2.gz NAFAQBBECMCHIB-VIFPVBQESA-N -1 3 281.308 1.491 20 10 CDCDHM CCOC(=O)[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203664734 939700575 /nfs/dbraw/zinc/70/05/75/939700575.db2.gz SWXPGIZOTSBPTJ-GFCCVEGCSA-N -1 3 299.754 1.810 20 10 CDCDHM Cc1nc(CC[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])no1 ZINC001231447451 942893566 /nfs/dbraw/zinc/89/35/66/942893566.db2.gz UOQAMNMZPUMKLB-UHFFFAOYSA-N -1 3 291.307 1.456 20 10 CDCDHM Cc1nc(CC[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])no1 ZINC001231447451 942893569 /nfs/dbraw/zinc/89/35/69/942893569.db2.gz UOQAMNMZPUMKLB-UHFFFAOYSA-N -1 3 291.307 1.456 20 10 CDCDHM CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452500 942895903 /nfs/dbraw/zinc/89/59/03/942895903.db2.gz PZFVDAOGYCLVRU-LBPRGKRZSA-N -1 3 293.319 1.475 20 10 CDCDHM CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452500 942895907 /nfs/dbraw/zinc/89/59/07/942895907.db2.gz PZFVDAOGYCLVRU-LBPRGKRZSA-N -1 3 293.319 1.475 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001231909345 943050724 /nfs/dbraw/zinc/05/07/24/943050724.db2.gz JZPZCKMVWZOGCV-MNOVXSKESA-N -1 3 259.708 1.950 20 10 CDCDHM COc1cc([O-])c(CN2CC(O)C2)cc1Br ZINC001233135537 943499512 /nfs/dbraw/zinc/49/95/12/943499512.db2.gz UJOXKMQGJQIQAJ-UHFFFAOYSA-N -1 3 288.141 1.340 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCN([C@H]2CCOC2)CC1 ZINC001233331892 943546305 /nfs/dbraw/zinc/54/63/05/943546305.db2.gz OYNQTNYFIGOFDV-NSHDSACASA-N -1 3 298.333 1.577 20 10 CDCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC(F)(CO)C1 ZINC001233451903 943587643 /nfs/dbraw/zinc/58/76/43/943587643.db2.gz CULJWZKRMYOLGS-UHFFFAOYSA-N -1 3 279.233 1.927 20 10 CDCDHM COc1cc([O-])c(CN2CCCC[C@H]2C(N)=O)c(Cl)c1 ZINC001236800004 944574072 /nfs/dbraw/zinc/57/40/72/944574072.db2.gz SGQDTLFGKOJUJZ-LBPRGKRZSA-N -1 3 298.770 1.894 20 10 CDCDHM O=C(CNC[C@H](O)c1ccccc1)c1ccc([O-])c(O)c1 ZINC001252013768 951049410 /nfs/dbraw/zinc/04/94/10/951049410.db2.gz YXDYCASSEMUQCE-HNNXBMFYSA-N -1 3 287.315 1.604 20 10 CDCDHM C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC001322340455 960187885 /nfs/dbraw/zinc/18/78/85/960187885.db2.gz WDIABEXQJVFTIE-VIFPVBQESA-N -1 3 295.335 1.948 20 10 CDCDHM C[C@H]([NH2+][C@H]1CCN(CCC(=O)[O-])C1=O)c1ccccc1[O-] ZINC001599902095 984854756 /nfs/dbraw/zinc/85/47/56/984854756.db2.gz KFGPTKIGFQNMBF-JQWIXIFHSA-N -1 3 292.335 1.118 20 10 CDCDHM C[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593207875 994219153 /nfs/dbraw/zinc/21/91/53/994219153.db2.gz FDAKYOXBIUVRDA-CABZTGNLSA-N -1 3 279.336 1.902 20 10 CDCDHM C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265621 994573893 /nfs/dbraw/zinc/57/38/93/994573893.db2.gz VFJAUDFOESXMFH-SNVBAGLBSA-N -1 3 294.351 1.609 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CCO)c([O-])c1O ZINC000187839942 357813269 /nfs/dbraw/zinc/81/32/69/357813269.db2.gz HOZZRHICZRWUEX-CMPLNLGQSA-N -1 3 279.336 1.687 20 10 CDCDHM CCCOc1ccc(CN2CC(=O)N[C@@H](C)C2)c([O-])c1 ZINC000294943998 199263432 /nfs/dbraw/zinc/26/34/32/199263432.db2.gz HDHYQNFUNBNJHE-NSHDSACASA-N -1 3 278.352 1.501 20 10 CDCDHM O=C1CCC[C@@H]1[C@H]1COCCN1Cc1ccccc1[O-] ZINC000365277260 359238676 /nfs/dbraw/zinc/23/86/76/359238676.db2.gz INIBYCNEEZERTL-ZIAGYGMSSA-N -1 3 275.348 1.962 20 10 CDCDHM COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000267568585 363848851 /nfs/dbraw/zinc/84/88/51/363848851.db2.gz IDRJHZUUDNKKNX-NSHDSACASA-N -1 3 295.335 1.724 20 10 CDCDHM C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1ccccc1[O-] ZINC000271440304 364983657 /nfs/dbraw/zinc/98/36/57/364983657.db2.gz RUVXVDAEBGLWBL-VGTOOOLASA-N -1 3 253.367 1.734 20 10 CDCDHM Cc1nc(NC(=O)c2ccc(C)c(O)c2[O-])nn1C ZINC000293766075 370787964 /nfs/dbraw/zinc/78/79/64/370787964.db2.gz UUGKGQOQRJXDJR-UHFFFAOYSA-N -1 3 262.269 1.095 20 10 CDCDHM Cc1ccc(C(=O)NC2=NO[C@@H](C)C2)c([O-])c1O ZINC000272959003 365459096 /nfs/dbraw/zinc/45/90/96/365459096.db2.gz JHEVZAGOFQXKED-ZETCQYMHSA-N -1 3 250.254 1.258 20 10 CDCDHM CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000286066278 368690388 /nfs/dbraw/zinc/69/03/88/368690388.db2.gz MDNWLCKXOHQNEO-BDAKNGLRSA-N -1 3 281.308 1.415 20 10 CDCDHM Cc1nnc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])[nH]1 ZINC000286229889 368737178 /nfs/dbraw/zinc/73/71/78/368737178.db2.gz CNVAKTANPAEGCJ-ZETCQYMHSA-N -1 3 276.296 1.324 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cnnn2C)c1 ZINC000287162703 369107777 /nfs/dbraw/zinc/10/77/77/369107777.db2.gz BUQRKRKGFIWRCD-VIFPVBQESA-N -1 3 290.323 1.158 20 10 CDCDHM C[C@@H](N[C@H]1CCCNC1=O)c1ccc(F)c(F)c1[O-] ZINC000296510569 296162621 /nfs/dbraw/zinc/16/26/21/296162621.db2.gz PMFGIVJRCMBEMA-XCBNKYQSSA-N -1 3 270.279 1.600 20 10 CDCDHM CNC(=O)C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000297496601 371996921 /nfs/dbraw/zinc/99/69/21/371996921.db2.gz VTNYCHXGTVUYNK-UHFFFAOYSA-N -1 3 299.168 1.333 20 10 CDCDHM CCC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000296330740 378726781 /nfs/dbraw/zinc/72/67/81/378726781.db2.gz SISRAHVVBGGTOD-UHFFFAOYSA-N -1 3 298.364 1.436 20 10 CDCDHM CC(C)OC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000369130115 391088411 /nfs/dbraw/zinc/08/84/11/391088411.db2.gz KWXVLKIZWNFXLF-LLVKDONJSA-N -1 3 295.335 1.364 20 10 CDCDHM CO[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000365699820 391142379 /nfs/dbraw/zinc/14/23/79/391142379.db2.gz FMEAYOXLJKGVCG-SNVBAGLBSA-N -1 3 265.309 1.739 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1[C@H]1CCCO1 ZINC000376231965 391218786 /nfs/dbraw/zinc/21/87/86/391218786.db2.gz UBXSTVABHHRFMW-WCQYABFASA-N -1 3 293.319 1.118 20 10 CDCDHM COCCOCCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000289035291 392270683 /nfs/dbraw/zinc/27/06/83/392270683.db2.gz PCQUVGQDFIUJSE-UHFFFAOYSA-N -1 3 299.342 1.829 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000368586363 262102196 /nfs/dbraw/zinc/10/21/96/262102196.db2.gz XQCSKNGZMCBLDR-SNVBAGLBSA-N -1 3 294.326 1.431 20 10 CDCDHM C[C@@H]([NH2+]C1CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589957693 1173210958 /nfs/dbraw/zinc/21/09/58/1173210958.db2.gz SDZZGKZCVAAVTH-MRVPVSSYSA-N -1 3 259.313 1.775 20 10 CDCDHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(F)ccc1[O-] ZINC000378502601 329053349 /nfs/dbraw/zinc/05/33/49/329053349.db2.gz VZBNPPZJURLZEW-STQMWFEESA-N -1 3 297.326 1.684 20 10 CDCDHM CC(C)NC(=O)CNCc1c([O-])cccc1Cl ZINC000083551543 519708771 /nfs/dbraw/zinc/70/87/71/519708771.db2.gz SMIXPJRTBIXRCK-UHFFFAOYSA-N -1 3 256.733 1.660 20 10 CDCDHM COc1cc(Cl)cc(CN2CC(=O)N(C3CC3)C2)c1[O-] ZINC000280584153 522538132 /nfs/dbraw/zinc/53/81/32/522538132.db2.gz WWTCTYKUWMTFIX-UHFFFAOYSA-N -1 3 296.754 1.818 20 10 CDCDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCO1 ZINC000279460509 522728052 /nfs/dbraw/zinc/72/80/52/522728052.db2.gz MQDHWIRWFYENPF-CMPLNLGQSA-N -1 3 281.308 1.022 20 10 CDCDHM COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC000276626581 523961331 /nfs/dbraw/zinc/96/13/31/523961331.db2.gz PAZANSQDTRJASR-UWVGGRQHSA-N -1 3 293.319 1.369 20 10 CDCDHM CNC(=O)C1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000275094346 524047890 /nfs/dbraw/zinc/04/78/90/524047890.db2.gz HNXCOXRARSADSR-UHFFFAOYSA-N -1 3 292.335 1.132 20 10 CDCDHM O=C(NC[C@@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000126345625 526508083 /nfs/dbraw/zinc/50/80/83/526508083.db2.gz LXGQWKBDHVSCDN-VIFPVBQESA-N -1 3 251.282 1.397 20 10 CDCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC(C)(C)C ZINC000731909781 575070364 /nfs/dbraw/zinc/07/03/64/575070364.db2.gz KDDQIWIMPDWYSV-ZETCQYMHSA-N -1 3 271.338 1.914 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)c1ccc[nH]1 ZINC000731911926 575070470 /nfs/dbraw/zinc/07/04/70/575070470.db2.gz NQGZSXFNADSXNW-UHFFFAOYSA-N -1 3 251.263 1.822 20 10 CDCDHM C[C@@H](Cn1ccnc1)NC(=O)c1cc([O-])cs1 ZINC000732268760 575085198 /nfs/dbraw/zinc/08/51/98/575085198.db2.gz BIMSGTOXOIPJEE-QMMMGPOBSA-N -1 3 251.311 1.469 20 10 CDCDHM CNC(=O)[C@@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000732271002 575085231 /nfs/dbraw/zinc/08/52/31/575085231.db2.gz MGFWGBFVXODIEX-VIFPVBQESA-N -1 3 268.338 1.194 20 10 CDCDHM CCN(CC)C(=O)CCCNC(=O)c1cc([O-])cs1 ZINC000732270588 575085293 /nfs/dbraw/zinc/08/52/93/575085293.db2.gz QCBHVNVJVJAJHN-UHFFFAOYSA-N -1 3 284.381 1.832 20 10 CDCDHM O=C(CCNC(=O)c1cc([O-])cs1)Nc1cccnc1 ZINC000732283530 575086794 /nfs/dbraw/zinc/08/67/94/575086794.db2.gz MGDBXHJDAWITOK-UHFFFAOYSA-N -1 3 291.332 1.607 20 10 CDCDHM CC(=O)N1CCC(CNC(=O)c2cc([O-])cs2)CC1 ZINC000732287938 575087054 /nfs/dbraw/zinc/08/70/54/575087054.db2.gz JLWRFDVRXVSCJK-UHFFFAOYSA-N -1 3 282.365 1.442 20 10 CDCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC[C@H]1CCCO1 ZINC000734190407 575161900 /nfs/dbraw/zinc/16/19/00/575161900.db2.gz WJPBSIGINMNUON-WCBMZHEXSA-N -1 3 299.348 1.294 20 10 CDCDHM COC(=O)[C@]1(F)CCN(Cc2c([O-])cccc2OC)C1 ZINC000769565398 575360312 /nfs/dbraw/zinc/36/03/12/575360312.db2.gz VROOOWKDWIOTEU-AWEZNQCLSA-N -1 3 283.299 1.488 20 10 CDCDHM CN(Cc1cscn1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442856 576283698 /nfs/dbraw/zinc/28/36/98/576283698.db2.gz OLYRYEIZIHDGBX-ZDUSSCGKSA-N -1 3 292.360 1.907 20 10 CDCDHM COc1cccc([O-])c1CN1CCn2cnnc2C1 ZINC000769358512 576348691 /nfs/dbraw/zinc/34/86/91/576348691.db2.gz GCTYRHYPDHKNHN-UHFFFAOYSA-N -1 3 260.297 1.008 20 10 CDCDHM O=C(/C=C/c1ccc(O)c(O)c1)[N-]OCC(F)F ZINC000760140120 576460453 /nfs/dbraw/zinc/46/04/53/576460453.db2.gz AWKFFEIYHYRLSY-DUXPYHPUSA-N -1 3 259.208 1.424 20 10 CDCDHM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc([O-])cs1 ZINC000753842647 576861870 /nfs/dbraw/zinc/86/18/70/576861870.db2.gz PIZPWHSCBFHFBT-SNVBAGLBSA-N -1 3 289.360 1.857 20 10 CDCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)CC(F)F)c1 ZINC000758616261 577122247 /nfs/dbraw/zinc/12/22/47/577122247.db2.gz RCOXGQQRJLMWFH-MRVPVSSYSA-N -1 3 276.239 1.406 20 10 CDCDHM Oc1ccccc1CNc1cnccc1-c1nnn[n-]1 ZINC000826511503 608377031 /nfs/dbraw/zinc/37/70/31/608377031.db2.gz SMCQPUDSIIERHI-UHFFFAOYSA-N -1 3 268.280 1.579 20 10 CDCDHM Oc1ccccc1CNc1cnccc1-c1nn[n-]n1 ZINC000826511503 608377033 /nfs/dbraw/zinc/37/70/33/608377033.db2.gz SMCQPUDSIIERHI-UHFFFAOYSA-N -1 3 268.280 1.579 20 10 CDCDHM COC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000889172321 619270246 /nfs/dbraw/zinc/27/02/46/619270246.db2.gz OXVFLRRXPJXTNB-LLVKDONJSA-N -1 3 295.335 1.805 20 10 CDCDHM CCO[C@@H]1COCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790933730 1162176831 /nfs/dbraw/zinc/17/68/31/1162176831.db2.gz XYGJNPLKLPKOBK-CMPLNLGQSA-N -1 3 281.308 1.022 20 10 CDCDHM CO[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCO1 ZINC000878966768 1166277999 /nfs/dbraw/zinc/27/79/99/1166277999.db2.gz NANXBXLNWVHDCA-CYBMUJFWSA-N -1 3 283.299 1.539 20 10 CDCDHM C[C@H](Cn1cccn1)NC(=O)c1cccc(O)c1[O-] ZINC000126294913 1165961300 /nfs/dbraw/zinc/96/13/00/1165961300.db2.gz GPIOLYZXBRUEKS-SECBINFHSA-N -1 3 261.281 1.113 20 10 CDCDHM COc1ccc(O)c(CNC(=O)c2cccc3n[n-]nc32)c1 ZINC000163619167 911262757 /nfs/dbraw/zinc/26/27/57/911262757.db2.gz VJJDXQVXQJEUGN-UHFFFAOYSA-N -1 3 298.302 1.602 20 10 CDCDHM COC(=O)[C@]1(C)COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203665263 920592388 /nfs/dbraw/zinc/59/23/88/920592388.db2.gz FFAKUPUHGOKCOQ-AWEZNQCLSA-N -1 3 299.754 1.810 20 10 CDCDHM CCC(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC001140057774 936675171 /nfs/dbraw/zinc/67/51/71/936675171.db2.gz LSVVTRLFVXXOPF-UHFFFAOYSA-N -1 3 266.316 1.586 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@]1(C)CO ZINC000703710704 922787920 /nfs/dbraw/zinc/78/79/20/922787920.db2.gz SMQSNIXAAJIJEU-XPTSAGLGSA-N -1 3 265.309 1.188 20 10 CDCDHM N=C(NC(=O)c1ccc([O-])c(O)c1Cl)c1nccs1 ZINC001193236551 923557645 /nfs/dbraw/zinc/55/76/45/923557645.db2.gz HMNUGNAHZFMOJF-UHFFFAOYSA-N -1 3 297.723 1.963 20 10 CDCDHM CCn1[nH]c(C)nc1=NCc1c([O-])cccc1Cl ZINC000840887918 936966798 /nfs/dbraw/zinc/96/67/98/936966798.db2.gz QRLRNRSRHBKTBY-UHFFFAOYSA-N -1 3 266.732 1.999 20 10 CDCDHM C[C@]1(CO)CCN(Cc2cc(F)c(F)cc2[O-])C[C@H]1O ZINC001142508729 937024878 /nfs/dbraw/zinc/02/48/78/937024878.db2.gz JOXZWIPFEXZZCC-ZIAGYGMSSA-N -1 3 287.306 1.236 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H](O)[C@@H](F)CC1 ZINC001139683192 937401626 /nfs/dbraw/zinc/40/16/26/937401626.db2.gz BCLDGXDTEGLHJS-JQWIXIFHSA-N -1 3 275.270 1.965 20 10 CDCDHM CC(C)NC(=O)CN[C@H](C)c1c([O-])cccc1F ZINC000886493552 930893138 /nfs/dbraw/zinc/89/31/38/930893138.db2.gz QBMNPEWCHOPKBZ-SECBINFHSA-N -1 3 254.305 1.707 20 10 CDCDHM COC(=O)CN(C)Cc1ccc(Br)cc1[O-] ZINC000824567719 931462000 /nfs/dbraw/zinc/46/20/00/931462000.db2.gz UVQIIKSSTSKPTO-UHFFFAOYSA-N -1 3 288.141 1.760 20 10 CDCDHM C[C@@H]1CCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846231756 931999149 /nfs/dbraw/zinc/99/91/49/931999149.db2.gz OQRVYRZUUIHVAO-SECBINFHSA-N -1 3 290.323 1.365 20 10 CDCDHM O=C(Nc1ccnc2ccnn21)c1cccc(O)c1[O-] ZINC000193049331 934659195 /nfs/dbraw/zinc/65/91/95/934659195.db2.gz CEPRPGPFSMMYMY-UHFFFAOYSA-N -1 3 270.248 1.393 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@H](CO)C2)c1[O-] ZINC000248881413 934917005 /nfs/dbraw/zinc/91/70/05/934917005.db2.gz WYPNGWGCWSTBNT-ZANVPECISA-N -1 3 297.326 1.316 20 10 CDCDHM CN(Cc1cc(Br)ccc1[O-])C1COC1 ZINC001203642741 939699414 /nfs/dbraw/zinc/69/94/14/939699414.db2.gz NJLMYZNONPZZRE-UHFFFAOYSA-N -1 3 272.142 1.985 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c([O-])c1 ZINC001231455948 942899663 /nfs/dbraw/zinc/89/96/63/942899663.db2.gz YUHXGRKKPJZBFT-TZMCWYRMSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c([O-])c1 ZINC001231455948 942899665 /nfs/dbraw/zinc/89/96/65/942899665.db2.gz YUHXGRKKPJZBFT-TZMCWYRMSA-N -1 3 277.320 1.701 20 10 CDCDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@H]2C(=O)O3)cc1Cl ZINC001231870303 943035825 /nfs/dbraw/zinc/03/58/25/943035825.db2.gz SRSZPCNUCNKNOX-ONGXEEELSA-N -1 3 267.712 1.854 20 10 CDCDHM CCNC(=O)CN(C)Cc1cc(Cl)c([O-])cc1O ZINC001232260413 943192244 /nfs/dbraw/zinc/19/22/44/943192244.db2.gz PWCAMDZKWRHRHE-UHFFFAOYSA-N -1 3 272.732 1.319 20 10 CDCDHM Cc1cc([O-])c(CN2CC(O)C2)cc1Br ZINC001237678376 944922805 /nfs/dbraw/zinc/92/28/05/944922805.db2.gz YIITYMBZJZTOIA-UHFFFAOYSA-N -1 3 272.142 1.640 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC001604871577 974122083 /nfs/dbraw/zinc/12/20/83/974122083.db2.gz XJQGVFPGFCXALJ-AWEZNQCLSA-N -1 3 265.309 1.697 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC001604871577 974122090 /nfs/dbraw/zinc/12/20/90/974122090.db2.gz XJQGVFPGFCXALJ-AWEZNQCLSA-N -1 3 265.309 1.697 20 10 CDCDHM COc1cccc([O-])c1C[NH+]1CC(C)(C(=O)[O-])C1 ZINC001599680404 994971217 /nfs/dbraw/zinc/97/12/17/994971217.db2.gz PCESASRSAMSENT-UHFFFAOYSA-N -1 3 251.282 1.307 20 10 CDCDHM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(O)c1[O-] ZINC000126615193 342220605 /nfs/dbraw/zinc/22/06/05/342220605.db2.gz ACTFQBSOWMJVBM-ZIAGYGMSSA-N -1 3 285.299 1.486 20 10 CDCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1O ZINC000275940932 357142671 /nfs/dbraw/zinc/14/26/71/357142671.db2.gz XITQMYYLAZUXBU-NSHDSACASA-N -1 3 265.309 1.331 20 10 CDCDHM CN(C)C(=O)[C@@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000179895309 357230057 /nfs/dbraw/zinc/23/00/57/357230057.db2.gz RHBASPFFJHRIIM-LBPRGKRZSA-N -1 3 266.316 1.584 20 10 CDCDHM COC(=O)CN(Cc1cc(F)ccc1[O-])C(C)C ZINC000179939457 357232254 /nfs/dbraw/zinc/23/22/54/357232254.db2.gz XFDCCBUIBDOBSM-UHFFFAOYSA-N -1 3 255.289 1.915 20 10 CDCDHM C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2[O-])C[C@H](C)O1 ZINC000111235098 359197011 /nfs/dbraw/zinc/19/70/11/359197011.db2.gz LSVJMRXALDOGIW-BETUJISGSA-N -1 3 292.379 1.460 20 10 CDCDHM CCOC(=O)CN(C(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000271240273 364978323 /nfs/dbraw/zinc/97/83/23/364978323.db2.gz DWGWSXGLZAGTOI-UHFFFAOYSA-N -1 3 293.319 1.574 20 10 CDCDHM Cc1ccc(C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c([O-])c1O ZINC000272801507 365404006 /nfs/dbraw/zinc/40/40/06/365404006.db2.gz YONKCDMEGCZAPM-ZLMDCXFVSA-N -1 3 297.376 1.388 20 10 CDCDHM CCOCCN(CC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272737694 365374524 /nfs/dbraw/zinc/37/45/24/365374524.db2.gz HYLZYPJFFJBMBV-UHFFFAOYSA-N -1 3 267.325 1.905 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCOC2)c([O-])c1O ZINC000272745691 365378432 /nfs/dbraw/zinc/37/84/32/365378432.db2.gz NALIIJSJVLAKFB-VHSXEESVSA-N -1 3 265.309 1.561 20 10 CDCDHM CCc1nnc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])[nH]1 ZINC000273068731 365469166 /nfs/dbraw/zinc/46/91/66/365469166.db2.gz ZRXXLPIYVKOMED-MRVPVSSYSA-N -1 3 290.323 1.578 20 10 CDCDHM CCCCN(CCO)C(=O)c1ccc(C)c(O)c1[O-] ZINC000181916831 391228884 /nfs/dbraw/zinc/22/88/84/391228884.db2.gz MNHKQTRHWZQBDQ-UHFFFAOYSA-N -1 3 267.325 1.641 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](CO)CC(C)(C)C)c([O-])c1O ZINC000182856545 397968514 /nfs/dbraw/zinc/96/85/14/397968514.db2.gz DPBWWQYGZKHQEG-JTQLQIEISA-N -1 3 281.352 1.933 20 10 CDCDHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000193145021 228155770 /nfs/dbraw/zinc/15/57/70/228155770.db2.gz WIJPFBHEXMDXTP-SNVBAGLBSA-N -1 3 251.282 1.253 20 10 CDCDHM CC(C)(C)OC(=O)NCCNC(=O)c1cccc(O)c1[O-] ZINC000038242629 260129123 /nfs/dbraw/zinc/12/91/23/260129123.db2.gz HROJEFVKNKOXMB-UHFFFAOYSA-N -1 3 296.323 1.352 20 10 CDCDHM CC[C@H](C)NC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000126361052 260349340 /nfs/dbraw/zinc/34/93/40/260349340.db2.gz PXBJOSCWABZZAF-VIFPVBQESA-N -1 3 280.324 1.132 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)c2ncnn2C)c([O-])c1O ZINC000276934533 328220243 /nfs/dbraw/zinc/22/02/43/328220243.db2.gz VUMPHXHUBLVJQL-QMMMGPOBSA-N -1 3 276.296 1.026 20 10 CDCDHM Cc1ccc(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)c([O-])c1O ZINC000277706829 328222088 /nfs/dbraw/zinc/22/20/88/328222088.db2.gz WIZQNIPURYXVHU-GWNMQOMSSA-N -1 3 297.376 1.247 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377701307 329025805 /nfs/dbraw/zinc/02/58/05/329025805.db2.gz SOLJMDGYRJZDOK-ZFWWWQNUSA-N -1 3 281.327 1.911 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@@H](C)C2)c([O-])c1O ZINC000378560093 329054941 /nfs/dbraw/zinc/05/49/41/329054941.db2.gz DMYKTZPTCMQVOW-VIFPVBQESA-N -1 3 265.309 1.515 20 10 CDCDHM C[C@@H](NCc1cc(F)ccc1[O-])c1nnc2n1CCC2 ZINC000230935622 333322634 /nfs/dbraw/zinc/32/26/34/333322634.db2.gz AUTKSXBFKQDBAZ-SECBINFHSA-N -1 3 276.315 1.920 20 10 CDCDHM CO[C@@](C)(CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000311691417 1159530663 /nfs/dbraw/zinc/53/06/63/1159530663.db2.gz KLBMFLIJRLSELY-AWEZNQCLSA-N -1 3 265.309 1.643 20 10 CDCDHM O=C(NCCOC[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000790721855 1162166640 /nfs/dbraw/zinc/16/66/40/1162166640.db2.gz ZXGITARUWRQCHF-SNVBAGLBSA-N -1 3 281.308 1.023 20 10 CDCDHM O=C(Nn1cc(Br)cn1)c1cccc(O)c1[O-] ZINC000790903531 1162176687 /nfs/dbraw/zinc/17/66/87/1162176687.db2.gz JMZVXCGRURAPRG-UHFFFAOYSA-N -1 3 298.096 1.441 20 10 CDCDHM CCCOc1ccc(CN[C@@H](C(=O)OC)[C@H](C)O)c([O-])c1 ZINC000276510759 520368285 /nfs/dbraw/zinc/36/82/85/520368285.db2.gz TWHKIVLEMFHNMU-IINYFYTJSA-N -1 3 297.351 1.193 20 10 CDCDHM COC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])[C@@H]1CCCO1 ZINC000279341455 522727014 /nfs/dbraw/zinc/72/70/14/522727014.db2.gz DUXGCXKYUXSPMX-RYUDHWBXSA-N -1 3 295.335 1.330 20 10 CDCDHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])C1CC1 ZINC000276408563 523926802 /nfs/dbraw/zinc/92/68/02/523926802.db2.gz FCCOFYAVJXQRDN-GFCCVEGCSA-N -1 3 253.273 1.573 20 10 CDCDHM Cc1cccc([O-])c1C[NH+]1CCC([C@H](O)C(=O)[O-])CC1 ZINC001600543444 1174500610 /nfs/dbraw/zinc/50/06/10/1174500610.db2.gz WXLZJLHAHDUAAX-AWEZNQCLSA-N -1 3 279.336 1.358 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1nnc2ccccn21 ZINC000732262908 575084463 /nfs/dbraw/zinc/08/44/63/575084463.db2.gz IOXZZCNLNMMZFY-MRVPVSSYSA-N -1 3 288.332 1.987 20 10 CDCDHM COC(=O)[C@H](C)CN(C)C(=O)c1cc([O-])cs1 ZINC000732269195 575085194 /nfs/dbraw/zinc/08/51/94/575085194.db2.gz DTRCUWURRYZWBR-SSDOTTSWSA-N -1 3 257.311 1.335 20 10 CDCDHM CCN(Cc1cnn(C)c1)C(=O)c1cc([O-])cs1 ZINC000732275393 575085868 /nfs/dbraw/zinc/08/58/68/575085868.db2.gz BKEOPERYLBYXES-UHFFFAOYSA-N -1 3 265.338 1.850 20 10 CDCDHM COC(=O)Cn1ccc(NC(=O)c2cc([O-])cs2)n1 ZINC000732284471 575086785 /nfs/dbraw/zinc/08/67/85/575086785.db2.gz RTWRCWXRQXDAPP-UHFFFAOYSA-N -1 3 281.293 1.076 20 10 CDCDHM COc1ccc(O)c(CNc2ncccc2-c2nnn[n-]2)c1 ZINC000737107351 575825439 /nfs/dbraw/zinc/82/54/39/575825439.db2.gz BQJZYJKRUUCNGU-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1ccc(O)c(CNc2ncccc2-c2nn[n-]n2)c1 ZINC000737107351 575825440 /nfs/dbraw/zinc/82/54/40/575825440.db2.gz BQJZYJKRUUCNGU-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM CC[C@H]1COCCN1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444990 576283552 /nfs/dbraw/zinc/28/35/52/576283552.db2.gz DWWRVTICNCFLJY-FZMZJTMJSA-N -1 3 279.336 1.429 20 10 CDCDHM O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc([O-])cs1 ZINC000769366617 576349221 /nfs/dbraw/zinc/34/92/21/576349221.db2.gz WPFCJWFYCHJYPI-JTQLQIEISA-N -1 3 297.376 1.912 20 10 CDCDHM COC[C@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000742156982 576583453 /nfs/dbraw/zinc/58/34/53/576583453.db2.gz DDTQXJYCSMCCKD-CYBMUJFWSA-N -1 3 288.347 1.788 20 10 CDCDHM COc1cccc([O-])c1CN1CC[C@@H](C)S(=O)(=O)CC1 ZINC000763625550 576744272 /nfs/dbraw/zinc/74/42/72/576744272.db2.gz JANAYSJXIFTMRE-LLVKDONJSA-N -1 3 299.392 1.410 20 10 CDCDHM NC(=O)c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000747579504 576875384 /nfs/dbraw/zinc/87/53/84/576875384.db2.gz IAXJGENYWBCARL-UHFFFAOYSA-N -1 3 262.290 1.805 20 10 CDCDHM CC(C)[N@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000833497188 604543477 /nfs/dbraw/zinc/54/34/77/604543477.db2.gz TUENLVUCIGEMTC-ZDUSSCGKSA-N -1 3 295.335 1.503 20 10 CDCDHM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000833497188 604543480 /nfs/dbraw/zinc/54/34/80/604543480.db2.gz TUENLVUCIGEMTC-ZDUSSCGKSA-N -1 3 295.335 1.503 20 10 CDCDHM O=C([O-])[C@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000833771060 604789552 /nfs/dbraw/zinc/78/95/52/604789552.db2.gz ULAOESQHXRIJSV-CYBMUJFWSA-N -1 3 265.309 1.050 20 10 CDCDHM COCC1(O)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894033785 618251898 /nfs/dbraw/zinc/25/18/98/618251898.db2.gz IRNLKXNHHBWJQT-UHFFFAOYSA-N -1 3 287.306 1.644 20 10 CDCDHM NC(=S)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126144355 1175438596 /nfs/dbraw/zinc/43/85/96/1175438596.db2.gz OJHXBLWTRLWFFH-UHFFFAOYSA-N -1 3 288.328 1.984 20 10 CDCDHM CC(=O)N1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000794023485 1162456650 /nfs/dbraw/zinc/45/66/50/1162456650.db2.gz SNGNNPHQXIOJEL-LLVKDONJSA-N -1 3 292.335 1.086 20 10 CDCDHM C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001604638152 1163261511 /nfs/dbraw/zinc/26/15/11/1163261511.db2.gz VAFRBKPOMFBJON-ZDSQKVDBSA-N -1 3 293.319 1.113 20 10 CDCDHM C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001604638152 1163261517 /nfs/dbraw/zinc/26/15/17/1163261517.db2.gz VAFRBKPOMFBJON-ZDSQKVDBSA-N -1 3 293.319 1.113 20 10 CDCDHM CC(C)OCCONC(=O)c1cccc(O)c1[O-] ZINC000812809144 1163737378 /nfs/dbraw/zinc/73/73/78/1163737378.db2.gz RMTWVYLVQVOYSK-UHFFFAOYSA-N -1 3 255.270 1.184 20 10 CDCDHM O=C(Nc1cccc(CO)c1)c1cccc(O)c1[O-] ZINC000126614281 1166067438 /nfs/dbraw/zinc/06/74/38/1166067438.db2.gz LRNYFRFMBVUKBK-UHFFFAOYSA-N -1 3 259.261 1.842 20 10 CDCDHM CN(C)c1ccc(CNc2ncncc2-c2nnn[n-]2)cc1 ZINC001591032579 1173563578 /nfs/dbraw/zinc/56/35/78/1173563578.db2.gz SQMVLJDCNICGAZ-UHFFFAOYSA-N -1 3 296.338 1.335 20 10 CDCDHM C[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603495182 1175559097 /nfs/dbraw/zinc/55/90/97/1175559097.db2.gz IJKJFOQDLSQTMI-VHSXEESVSA-N -1 3 291.355 1.241 20 10 CDCDHM O=S(=O)(C[C@@H]1CCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000085204653 785519383 /nfs/dbraw/zinc/51/93/83/785519383.db2.gz KUSDETFQXQRRLX-VIFPVBQESA-N -1 3 291.756 1.966 20 10 CDCDHM CCc1nn(C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000234160145 785731698 /nfs/dbraw/zinc/73/16/98/785731698.db2.gz MJELYZYAPNCSLE-UHFFFAOYSA-N -1 3 261.281 1.646 20 10 CDCDHM CC[C@@]1(O)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000710581019 786350456 /nfs/dbraw/zinc/35/04/56/786350456.db2.gz GJMDZTKADMMGCF-CQSZACIVSA-N -1 3 265.309 1.475 20 10 CDCDHM CCN(C[C@@H]1CCOC1)C(=O)c1cccc(O)c1[O-] ZINC000790590009 786405591 /nfs/dbraw/zinc/40/55/91/786405591.db2.gz NFRMCOQZCOGMTA-JTQLQIEISA-N -1 3 265.309 1.596 20 10 CDCDHM CNC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708434923 786845163 /nfs/dbraw/zinc/84/51/63/786845163.db2.gz WUJYCLFWMUGGHC-UHFFFAOYSA-N -1 3 284.306 1.628 20 10 CDCDHM CCCCN(CC(N)=O)Cc1cc(F)cc(F)c1[O-] ZINC000708411543 787984451 /nfs/dbraw/zinc/98/44/51/787984451.db2.gz AXVIHXMYRCDJGE-UHFFFAOYSA-N -1 3 272.295 1.758 20 10 CDCDHM Cc1cc([O-])c(CN2C[C@H](CO)OC[C@H]2C)cc1Cl ZINC000824934035 788287944 /nfs/dbraw/zinc/28/79/44/788287944.db2.gz OEVYFTBVTHBKEW-ZYHUDNBSSA-N -1 3 285.771 1.936 20 10 CDCDHM CC1(O)CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000703549047 788465083 /nfs/dbraw/zinc/46/50/83/788465083.db2.gz MVXPNKIEJUGIPG-UHFFFAOYSA-N -1 3 265.309 1.521 20 10 CDCDHM O=C(NN1CCc2ccccc2C1=O)c1cccc(O)c1[O-] ZINC000790911880 788894947 /nfs/dbraw/zinc/89/49/47/788894947.db2.gz VBEPCVSMBASMTP-UHFFFAOYSA-N -1 3 298.298 1.441 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC2(CCC2)O1 ZINC000844100160 789731046 /nfs/dbraw/zinc/73/10/46/789731046.db2.gz GOFPVZPBVMOKMV-JTQLQIEISA-N -1 3 277.320 1.881 20 10 CDCDHM CC(C)CN(CC(N)=O)Cc1cc(F)cc(F)c1[O-] ZINC000708413014 789785544 /nfs/dbraw/zinc/78/55/44/789785544.db2.gz KROOGRMADCNHOJ-UHFFFAOYSA-N -1 3 272.295 1.614 20 10 CDCDHM C[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1O ZINC001142508783 908832716 /nfs/dbraw/zinc/83/27/16/908832716.db2.gz LJJQTNLSFZHLGT-OQPBUACISA-N -1 3 257.280 1.873 20 10 CDCDHM O=C1CCC2(CCN(Cc3c(F)ccc(F)c3[O-])CC2)N1 ZINC001139686842 936635836 /nfs/dbraw/zinc/63/58/36/936635836.db2.gz GTHJPJBOKYIWDK-UHFFFAOYSA-N -1 3 296.317 1.915 20 10 CDCDHM CN(C)C1(C)CN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685257 936636001 /nfs/dbraw/zinc/63/60/01/936636001.db2.gz CNTGWEFJUQXECL-UHFFFAOYSA-N -1 3 256.296 1.806 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2c([O-])cccc2Cl)CCN1C ZINC001140342178 936703326 /nfs/dbraw/zinc/70/33/26/936703326.db2.gz VZHXQQZVESWVBR-GFCCVEGCSA-N -1 3 298.770 1.335 20 10 CDCDHM NC(=O)[C@@H]1CCCCN1Cc1ccc(Cl)cc1[O-] ZINC001140467598 936713160 /nfs/dbraw/zinc/71/31/60/936713160.db2.gz YYBHBZUNLPUXQR-NSHDSACASA-N -1 3 268.744 1.885 20 10 CDCDHM CN1CC2(C1)CN(C(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193232385 923554316 /nfs/dbraw/zinc/55/43/16/923554316.db2.gz IZRKCQSCCSAQDY-UHFFFAOYSA-N -1 3 282.727 1.139 20 10 CDCDHM CC(C)NC(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840891363 936966680 /nfs/dbraw/zinc/96/66/80/936966680.db2.gz RIVGXKYTKDFFMD-NXEZZACHSA-N -1 3 295.339 1.864 20 10 CDCDHM COC(=O)[C@H](C)NCc1ccc(Br)cc1[O-] ZINC000691451452 928871322 /nfs/dbraw/zinc/87/13/22/928871322.db2.gz BKFWGVQHZJZNTO-ZETCQYMHSA-N -1 3 288.141 1.806 20 10 CDCDHM CN1CCC12CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001275775186 932018712 /nfs/dbraw/zinc/01/87/12/932018712.db2.gz XEMBHKUASMHVSW-UHFFFAOYSA-N -1 3 254.280 1.560 20 10 CDCDHM Cc1cc(CN(C)C(=O)c2cccc(O)c2[O-])n(C)n1 ZINC001148213656 932668542 /nfs/dbraw/zinc/66/85/42/932668542.db2.gz IVJRYHJQVWLJKF-UHFFFAOYSA-N -1 3 275.308 1.412 20 10 CDCDHM O=C(NCCn1cccc1)c1cc(O)c([O-])c(O)c1 ZINC001148589813 932752365 /nfs/dbraw/zinc/75/23/65/932752365.db2.gz MBGKAVIMTWDEBP-UHFFFAOYSA-N -1 3 262.265 1.035 20 10 CDCDHM CN(Cc1ccon1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584601 932752427 /nfs/dbraw/zinc/75/24/27/932752427.db2.gz VUBCEDZPLJQNFD-UHFFFAOYSA-N -1 3 264.237 1.064 20 10 CDCDHM C[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2[O-])[C@H](C)O1 ZINC000686402238 934118084 /nfs/dbraw/zinc/11/80/84/934118084.db2.gz XEMLRWQYJVQBOK-KXUCPTDWSA-N -1 3 265.309 1.641 20 10 CDCDHM N[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCC1(F)F ZINC001206673917 938769402 /nfs/dbraw/zinc/76/94/02/938769402.db2.gz AIQBTPOEXMCYFA-LLVKDONJSA-N -1 3 278.249 1.839 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1CC(F)(CO)C1 ZINC001203635862 939695857 /nfs/dbraw/zinc/69/58/57/939695857.db2.gz JJJUXZBJZROLFU-UHFFFAOYSA-N -1 3 290.132 1.671 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](C)CO1 ZINC000403828480 940935832 /nfs/dbraw/zinc/93/58/32/940935832.db2.gz AGAORSDLGHRMAV-NXEZZACHSA-N -1 3 265.309 1.737 20 10 CDCDHM COC(=O)C1CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231868020 943035634 /nfs/dbraw/zinc/03/56/34/943035634.db2.gz PHMWRTCSAXWTSC-UHFFFAOYSA-N -1 3 269.728 1.959 20 10 CDCDHM CCN1C(=O)CN(Cc2ccc3ccccc3c2[O-])CC1=O ZINC001231879752 943039806 /nfs/dbraw/zinc/03/98/06/943039806.db2.gz QQHRHKFGDCDQDT-UHFFFAOYSA-N -1 3 298.342 1.736 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCc2nncn2CC1 ZINC001231910602 943051632 /nfs/dbraw/zinc/05/16/32/943051632.db2.gz OPQKXUZLPOTFAB-UHFFFAOYSA-N -1 3 278.743 1.695 20 10 CDCDHM CS(=O)(=O)c1ccnc(NCc2c([O-])cccc2F)n1 ZINC001307214816 956379264 /nfs/dbraw/zinc/37/92/64/956379264.db2.gz USJUZCJQJKVIMA-UHFFFAOYSA-N -1 3 297.311 1.337 20 10 CDCDHM CCC[C@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000229388919 398218685 /nfs/dbraw/zinc/21/86/85/398218685.db2.gz YFEZZJOVHDLWOZ-ZDUSSCGKSA-N -1 3 253.298 1.379 20 10 CDCDHM CCNC(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179891731 357229139 /nfs/dbraw/zinc/22/91/39/357229139.db2.gz QZTBBOUHCZQPST-UHFFFAOYSA-N -1 3 281.331 1.378 20 10 CDCDHM C[C@@H](CCCCO)NC(=O)c1cccc(O)c1[O-] ZINC000295850298 357565715 /nfs/dbraw/zinc/56/57/15/357565715.db2.gz SESMDVDQNQRBNO-VIFPVBQESA-N -1 3 253.298 1.379 20 10 CDCDHM C[C@@H](c1nnnn1C1CC1)N(C)Cc1ccccc1[O-] ZINC000192102800 358175860 /nfs/dbraw/zinc/17/58/60/358175860.db2.gz JPMQCZQBKQCNEI-JTQLQIEISA-N -1 3 273.340 1.907 20 10 CDCDHM CC(C)S(=O)(=O)CCN(C)Cc1ccccc1[O-] ZINC000178693965 366495790 /nfs/dbraw/zinc/49/57/90/366495790.db2.gz OGSGVSQOIUKXPD-UHFFFAOYSA-N -1 3 271.382 1.647 20 10 CDCDHM C[C@H](CCCO)CNC(=O)c1cccc(O)c1[O-] ZINC000295309968 364018269 /nfs/dbraw/zinc/01/82/69/364018269.db2.gz CFQKOGBQFFVEPC-SECBINFHSA-N -1 3 253.298 1.236 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCN2CCOC[C@@H]2C1 ZINC000375236451 370798068 /nfs/dbraw/zinc/79/80/68/370798068.db2.gz GFKIJIUGPCTSCW-ZDUSSCGKSA-N -1 3 282.771 1.562 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCN3CCOC[C@@H]3C2)c1[O-] ZINC000375240382 370799955 /nfs/dbraw/zinc/79/99/55/370799955.db2.gz XCHXAWDQZUCCLD-AWEZNQCLSA-N -1 3 296.798 1.870 20 10 CDCDHM COC(=O)CN(Cc1cc(F)ccc1[O-])C1CC1 ZINC000272417561 365227943 /nfs/dbraw/zinc/22/79/43/365227943.db2.gz LLOZMGUCVBEVLA-UHFFFAOYSA-N -1 3 253.273 1.669 20 10 CDCDHM Cc1cc(CNC(=O)c2ccc(C)c(O)c2[O-])n(C)n1 ZINC000285660803 368649712 /nfs/dbraw/zinc/64/97/12/368649712.db2.gz JVUSSISOTFZIEF-UHFFFAOYSA-N -1 3 275.308 1.378 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000375694631 370914804 /nfs/dbraw/zinc/91/48/04/370914804.db2.gz YLHBDDXDNUAPOU-WDEREUQCSA-N -1 3 277.320 1.596 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([O-])c1O ZINC000179514359 391208630 /nfs/dbraw/zinc/20/86/30/391208630.db2.gz AFPZIIGSXDERTG-BPNCWPANSA-N -1 3 291.347 1.950 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c([O-])c1O ZINC000179536932 391209665 /nfs/dbraw/zinc/20/96/65/391209665.db2.gz KGLZLTOPKFAVIS-MWLCHTKSSA-N -1 3 292.335 1.180 20 10 CDCDHM CC(C)NC(=O)CN1CCN(Cc2ccccc2[O-])CC1 ZINC000179553764 391210142 /nfs/dbraw/zinc/21/01/42/391210142.db2.gz FPPGUFMKOFRHNP-UHFFFAOYSA-N -1 3 291.395 1.034 20 10 CDCDHM Cc1ccc(C(=O)N2CCO[C@@H](C)C2)c([O-])c1O ZINC000177665600 261710467 /nfs/dbraw/zinc/71/04/67/261710467.db2.gz QVAUXUOWZGTGOW-VIFPVBQESA-N -1 3 251.282 1.267 20 10 CDCDHM COc1cc(Cl)cc(CN2CC[C@@H](O)C2)c1[O-] ZINC000184677616 262025756 /nfs/dbraw/zinc/02/57/56/262025756.db2.gz WDKUEDHGCXXDNK-SNVBAGLBSA-N -1 3 257.717 1.621 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2c[nH]cn2)CC1 ZINC000370492452 267322638 /nfs/dbraw/zinc/32/26/38/267322638.db2.gz QUOLAZJPXSIDHM-UHFFFAOYSA-N -1 3 287.319 1.841 20 10 CDCDHM CCC[C@H](CNC(=O)c1cccc(O)c1[O-])OC ZINC000293740804 326901193 /nfs/dbraw/zinc/90/11/93/326901193.db2.gz SFIMPCQOYMXDOV-SECBINFHSA-N -1 3 253.298 1.643 20 10 CDCDHM CCCOc1ccc(CN[C@@]2(C)CCOC2=O)c([O-])c1 ZINC000289704090 520371955 /nfs/dbraw/zinc/37/19/55/520371955.db2.gz DZANKPZQUNTMNI-HNNXBMFYSA-N -1 3 279.336 1.976 20 10 CDCDHM COc1c([O-])c(CN2CCC[C@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000278261261 521871037 /nfs/dbraw/zinc/87/10/37/521871037.db2.gz QMIBBYPFLSFQBA-AWEZNQCLSA-N -1 3 296.323 1.656 20 10 CDCDHM CCn1cc(CNCc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000264789829 523384535 /nfs/dbraw/zinc/38/45/35/523384535.db2.gz AINAIDDAUCPYOL-UHFFFAOYSA-N -1 3 276.296 1.807 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000291366260 527595656 /nfs/dbraw/zinc/59/56/56/527595656.db2.gz YVBWFXSQKJODCQ-JTQLQIEISA-N -1 3 275.270 1.981 20 10 CDCDHM CN(Cc1cnn(C)c1)C(=O)c1cc([O-])cs1 ZINC000731867774 575068723 /nfs/dbraw/zinc/06/87/23/575068723.db2.gz VFWNIMOVVRIOQE-UHFFFAOYSA-N -1 3 251.311 1.459 20 10 CDCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NCC(F)(F)F ZINC000732354666 575088099 /nfs/dbraw/zinc/08/80/99/575088099.db2.gz PXKDGPJPVZUTBG-RXMQYKEDSA-N -1 3 297.254 1.678 20 10 CDCDHM COc1cccc([O-])c1CN1CCOC2(CCOCC2)C1 ZINC000770292669 575437157 /nfs/dbraw/zinc/43/71/57/575437157.db2.gz OCYZPBLEMVEMQO-UHFFFAOYSA-N -1 3 293.363 1.782 20 10 CDCDHM O=C([O-])[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000739583571 576261340 /nfs/dbraw/zinc/26/13/40/576261340.db2.gz UVABOJXNHIJFRV-VIFPVBQESA-N -1 3 279.292 1.418 20 10 CDCDHM O=C([O-])[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000739583571 576261342 /nfs/dbraw/zinc/26/13/42/576261342.db2.gz UVABOJXNHIJFRV-VIFPVBQESA-N -1 3 279.292 1.418 20 10 CDCDHM CCOc1ccc(CN2CCNC(=O)C2(C)C)c([O-])c1 ZINC000769332163 576346727 /nfs/dbraw/zinc/34/67/27/576346727.db2.gz KFIRDFXXWJSKCO-UHFFFAOYSA-N -1 3 278.352 1.501 20 10 CDCDHM O=C(NC[C@@]1(O)CCSC1)c1cc([O-])cs1 ZINC000748423432 576912056 /nfs/dbraw/zinc/91/20/56/576912056.db2.gz OCOOKMZYPXXSGU-JTQLQIEISA-N -1 3 259.352 1.052 20 10 CDCDHM C[C@]1(CO)C[C@@H](O)CN1Cc1c([O-])ccc(Cl)c1F ZINC000895328911 619567368 /nfs/dbraw/zinc/56/73/68/619567368.db2.gz HLPLKCCSVYVYDK-AMIZOPFISA-N -1 3 289.734 1.502 20 10 CDCDHM O=C1CCCN1C1CN(Cc2c([O-])cccc2Cl)C1 ZINC000897786712 621122261 /nfs/dbraw/zinc/12/22/61/621122261.db2.gz WQMBMBSJPNPVIM-UHFFFAOYSA-N -1 3 280.755 1.852 20 10 CDCDHM C[C@@H](NCc1cnnn1C)c1cc(C(=O)[O-])ccc1O ZINC001604348138 1163160851 /nfs/dbraw/zinc/16/08/51/1163160851.db2.gz KBALHIGMZPEPHZ-MRVPVSSYSA-N -1 3 276.296 1.070 20 10 CDCDHM CC[C@@H]([NH2+][C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467694 1173418754 /nfs/dbraw/zinc/41/87/54/1173418754.db2.gz SPZNRLRTMHBKIJ-JOYOIKCWSA-N -1 3 289.339 1.402 20 10 CDCDHM Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592331782 1173856934 /nfs/dbraw/zinc/85/69/34/1173856934.db2.gz VAAWFSUJPHUREG-VIFPVBQESA-N -1 3 299.338 1.455 20 10 CDCDHM Oc1ccc(CCNc2ccc(-c3nnn[n-]3)nc2)cc1O ZINC001593540858 1174112193 /nfs/dbraw/zinc/11/21/93/1174112193.db2.gz VMINGDZOEUAOSA-UHFFFAOYSA-N -1 3 298.306 1.328 20 10 CDCDHM Oc1ccc(CCNc2ccc(-c3nn[n-]n3)nc2)cc1O ZINC001593540858 1174112199 /nfs/dbraw/zinc/11/21/99/1174112199.db2.gz VMINGDZOEUAOSA-UHFFFAOYSA-N -1 3 298.306 1.328 20 10 CDCDHM COc1cccc(CNC(=O)c2cccc(O)c2[O-])c1O ZINC000790632510 790325125 /nfs/dbraw/zinc/32/51/25/790325125.db2.gz OKPIFDFMQGGRCP-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM CS(=O)(=O)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC000841886993 790842688 /nfs/dbraw/zinc/84/26/88/790842688.db2.gz BCOMDHGRVXAVCD-UHFFFAOYSA-N -1 3 275.757 1.274 20 10 CDCDHM CC(=O)O[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790901735 789929038 /nfs/dbraw/zinc/92/90/38/789929038.db2.gz OHCXLTXLKMEQFS-SNVBAGLBSA-N -1 3 279.292 1.266 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCSC[C@@H]1CO ZINC000877780388 790035492 /nfs/dbraw/zinc/03/54/92/790035492.db2.gz OWWJUCKLDTWZTE-JTQLQIEISA-N -1 3 273.785 1.955 20 10 CDCDHM CO[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1O ZINC000825023635 790092505 /nfs/dbraw/zinc/09/25/05/790092505.db2.gz DYYWQYQGVJDZQJ-GHMZBOCLSA-N -1 3 275.707 1.376 20 10 CDCDHM O=C(NC[C@H](O)c1ccccc1)c1cccc(O)c1[O-] ZINC000126614043 791228676 /nfs/dbraw/zinc/22/86/76/791228676.db2.gz IUQCHWYKBOGWBO-ZDUSSCGKSA-N -1 3 273.288 1.561 20 10 CDCDHM CN1C[C@H](O)C[C@]1(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761448 791397548 /nfs/dbraw/zinc/39/75/48/791397548.db2.gz SNVQONFAZFYIKE-QMTHXVAHSA-N -1 3 298.770 1.117 20 10 CDCDHM Cc1cc(N(C)C)ccc1CNC(=O)c1cc(=O)[n-]cn1 ZINC000859421118 791687714 /nfs/dbraw/zinc/68/77/14/791687714.db2.gz MJLCWSVZONJBCN-UHFFFAOYSA-N -1 3 286.335 1.487 20 10 CDCDHM Cc1ccc([C@H](O)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000186929002 792091857 /nfs/dbraw/zinc/09/18/57/792091857.db2.gz APXFAGVLJAITLD-CQSZACIVSA-N -1 3 287.315 1.870 20 10 CDCDHM COC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790876724 792740559 /nfs/dbraw/zinc/74/05/59/792740559.db2.gz ZXGWIKNJDLPFNQ-SNVBAGLBSA-N -1 3 279.292 1.169 20 10 CDCDHM COC(C)(C)CCNC(=O)c1cccc(O)c1[O-] ZINC000711832677 793576666 /nfs/dbraw/zinc/57/66/66/793576666.db2.gz OUVCCJNDMAUIRM-UHFFFAOYSA-N -1 3 253.298 1.643 20 10 CDCDHM CC(C)COC(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000279884260 793781864 /nfs/dbraw/zinc/78/18/64/793781864.db2.gz RYMBHJXCRZCPPU-VIFPVBQESA-N -1 3 281.308 1.415 20 10 CDCDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1ncnn1C ZINC000883101704 795308991 /nfs/dbraw/zinc/30/89/91/795308991.db2.gz RKVCHXZUVHLXHO-SSDOTTSWSA-N -1 3 268.267 1.650 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C)S1=O ZINC000792192727 795817546 /nfs/dbraw/zinc/81/75/46/795817546.db2.gz PODZMFQBZYLVLQ-UWVGGRQHSA-N -1 3 271.357 1.873 20 10 CDCDHM CN(Cc1cccc(Cl)c1[O-])[C@@H]1CCNC1=O ZINC000775745225 796386410 /nfs/dbraw/zinc/38/64/10/796386410.db2.gz RVTZPZMMAJFMGP-SNVBAGLBSA-N -1 3 254.717 1.366 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](N2CCOCC2)C1 ZINC001142525070 908861809 /nfs/dbraw/zinc/86/18/09/908861809.db2.gz VXOXSCMKJXLWKA-GFCCVEGCSA-N -1 3 298.333 1.577 20 10 CDCDHM CC(=O)[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC001140056127 936674486 /nfs/dbraw/zinc/67/44/86/936674486.db2.gz IWWCBFKEEZOUFT-ZDUSSCGKSA-N -1 3 253.273 1.321 20 10 CDCDHM CCOC(=O)[C@@H]1CN(Cc2cc(F)ccc2[O-])CCC1=O ZINC001140057712 936674887 /nfs/dbraw/zinc/67/48/87/936674887.db2.gz KZVUWLDKYPQFOT-GFCCVEGCSA-N -1 3 295.310 1.485 20 10 CDCDHM O=C1COC[C@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC001140342033 936703618 /nfs/dbraw/zinc/70/36/18/936703618.db2.gz PDEVIDKIUCWCFJ-SNVBAGLBSA-N -1 3 296.754 1.089 20 10 CDCDHM COC(=O)C[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140467590 936713332 /nfs/dbraw/zinc/71/33/32/936713332.db2.gz YQSFDZYYHCONAN-LBPRGKRZSA-N -1 3 299.754 1.810 20 10 CDCDHM Cn1cc(NC(=O)c2cccc(O)c2[O-])ccc1=O ZINC000186990185 922143859 /nfs/dbraw/zinc/14/38/59/922143859.db2.gz MQJYMBRJDMUGSV-UHFFFAOYSA-N -1 3 260.249 1.049 20 10 CDCDHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(F)c(O)c(F)c1 ZINC001193265519 923576074 /nfs/dbraw/zinc/57/60/74/923576074.db2.gz XASXOLPBIOWGMM-QMMMGPOBSA-N -1 3 293.291 1.591 20 10 CDCDHM CN1CCO[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142513135 937026041 /nfs/dbraw/zinc/02/60/41/937026041.db2.gz YXZUDJVZPKFQFI-OCCSQVGLSA-N -1 3 284.306 1.185 20 10 CDCDHM CCS(=O)(=O)CCN[C@H](C)c1c([O-])cccc1F ZINC000886522523 930899015 /nfs/dbraw/zinc/89/90/15/930899015.db2.gz LGEBLHHPIYOASO-SECBINFHSA-N -1 3 275.345 1.617 20 10 CDCDHM O=C(Nc1cc(Cl)ncc1CO)c1cccc(O)c1[O-] ZINC001148212259 932667954 /nfs/dbraw/zinc/66/79/54/932667954.db2.gz UEUCGTMMEDUCAM-UHFFFAOYSA-N -1 3 294.694 1.891 20 10 CDCDHM NC(=O)c1cc(O)cc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148220095 932672161 /nfs/dbraw/zinc/67/21/61/932672161.db2.gz QBQOKIWGLOZOSG-UHFFFAOYSA-N -1 3 288.259 1.155 20 10 CDCDHM O=C(NCc1n[nH]c2ccccc21)c1cccc(O)c1[O-] ZINC001148219962 932672637 /nfs/dbraw/zinc/67/26/37/932672637.db2.gz IIRNHGNLONAHLM-UHFFFAOYSA-N -1 3 283.287 1.904 20 10 CDCDHM O=S1CC2(CN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001203650936 939699900 /nfs/dbraw/zinc/69/99/00/939699900.db2.gz GQFMYBQEMSGVPE-UHFFFAOYSA-N -1 3 271.769 1.610 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](CO)[C@H](O)C2)c1[O-] ZINC000316455117 941486220 /nfs/dbraw/zinc/48/62/20/941486220.db2.gz OTAWPCURNPWMGP-ZWNOBZJWSA-N -1 3 299.754 1.033 20 10 CDCDHM C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447119 942894222 /nfs/dbraw/zinc/89/42/22/942894222.db2.gz OFCJIRHINPWRHP-SKDRFNHKSA-N -1 3 265.309 1.293 20 10 CDCDHM C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447119 942894229 /nfs/dbraw/zinc/89/42/29/942894229.db2.gz OFCJIRHINPWRHP-SKDRFNHKSA-N -1 3 265.309 1.293 20 10 CDCDHM CC[C@@]12C[C@@H](CO1)N(Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231454936 942897874 /nfs/dbraw/zinc/89/78/74/942897874.db2.gz KOTNVESYWBPLLP-WFASDCNBSA-N -1 3 277.320 1.844 20 10 CDCDHM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CCOCC1 ZINC001231561277 942928224 /nfs/dbraw/zinc/92/82/24/942928224.db2.gz QZCIVRHRSVDKPO-UHFFFAOYSA-N -1 3 279.336 1.949 20 10 CDCDHM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CCOCC1 ZINC001231561277 942928233 /nfs/dbraw/zinc/92/82/33/942928233.db2.gz QZCIVRHRSVDKPO-UHFFFAOYSA-N -1 3 279.336 1.949 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCCC[C@@](O)(CF)C2)c1 ZINC001231561451 942929043 /nfs/dbraw/zinc/92/90/43/942929043.db2.gz VGKZKZDEAPKOPY-OAHLLOKOSA-N -1 3 297.326 1.777 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1 ZINC001231561451 942929047 /nfs/dbraw/zinc/92/90/47/942929047.db2.gz VGKZKZDEAPKOPY-OAHLLOKOSA-N -1 3 297.326 1.777 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCC2(C[C@@H](O)CO2)CC1 ZINC001233332829 943546100 /nfs/dbraw/zinc/54/61/00/943546100.db2.gz YUYUGCBGXNKROK-SNVBAGLBSA-N -1 3 299.317 1.786 20 10 CDCDHM [O-]c1c(CN2C[C@@H](O)[C@H](CO)C2)cccc1C(F)(F)F ZINC001233415703 943580416 /nfs/dbraw/zinc/58/04/16/943580416.db2.gz GDSLWVPVLSESET-GXSJLCMTSA-N -1 3 291.269 1.196 20 10 CDCDHM O=C(C1=CC(=O)CS1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001347254329 965439807 /nfs/dbraw/zinc/43/98/07/965439807.db2.gz RZKLCLQGWADBQO-UHFFFAOYSA-N -1 3 293.352 1.062 20 10 CDCDHM C[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239934 994425666 /nfs/dbraw/zinc/42/56/66/994425666.db2.gz IMZIXUKQKXFULI-UWVGGRQHSA-N -1 3 266.341 1.691 20 10 CDCDHM C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257894 994537890 /nfs/dbraw/zinc/53/78/90/994537890.db2.gz VERBYJHCMCAQRX-KOLCDFICSA-N -1 3 281.308 1.156 20 10 CDCDHM COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001599680602 994975371 /nfs/dbraw/zinc/97/53/71/994975371.db2.gz ZSYOPJAPUJHNPB-FTGAXOIBSA-N -1 3 277.320 1.744 20 10 CDCDHM CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599322065 997599137 /nfs/dbraw/zinc/59/91/37/997599137.db2.gz FLKCHXRQCDJJPQ-MRCXROJRSA-N -1 3 295.335 1.545 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCO[C@@]2(CCOC2)C1 ZINC000274385349 365645727 /nfs/dbraw/zinc/64/57/27/365645727.db2.gz BXLNOQJBUMYGCG-AWEZNQCLSA-N -1 3 267.300 1.523 20 10 CDCDHM CC(C)(C)[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000192877146 346002023 /nfs/dbraw/zinc/00/20/23/346002023.db2.gz ONMBMNOANRFOLV-SNVBAGLBSA-N -1 3 253.298 1.235 20 10 CDCDHM CCOC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000072952754 349142221 /nfs/dbraw/zinc/14/22/21/349142221.db2.gz JBNBNAVZVBNOIY-CQSZACIVSA-N -1 3 293.363 1.936 20 10 CDCDHM CC[C@@](NC(=O)c1ccc(C)c(O)c1[O-])(C(N)=O)C(C)C ZINC000180303986 357261360 /nfs/dbraw/zinc/26/13/60/357261360.db2.gz GYUMREGXTSVEJA-HNNXBMFYSA-N -1 3 294.351 1.426 20 10 CDCDHM C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(F)c(F)c1[O-] ZINC000191198259 358119295 /nfs/dbraw/zinc/11/92/95/358119295.db2.gz JMBXHSXEBFYKIB-GZMMTYOYSA-N -1 3 284.306 1.990 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CC[C@H](O)C2)c([O-])c1O ZINC000191344041 358127919 /nfs/dbraw/zinc/12/79/19/358127919.db2.gz ASFMCGCUAFODBD-ZJUUUORDSA-N -1 3 265.309 1.297 20 10 CDCDHM CC(=O)NC1CN(Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000297527068 371998524 /nfs/dbraw/zinc/99/85/24/371998524.db2.gz XISGGHSROSSPIS-UHFFFAOYSA-N -1 3 268.744 1.674 20 10 CDCDHM CCN(C)C(=O)CN[C@H](C)c1ccc(F)cc1[O-] ZINC000186821418 262111350 /nfs/dbraw/zinc/11/13/50/262111350.db2.gz UXBZCNTXHSPMED-SECBINFHSA-N -1 3 254.305 1.660 20 10 CDCDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1COC[C@H]1O ZINC000289706261 391617866 /nfs/dbraw/zinc/61/78/66/391617866.db2.gz OSNRCDPTVXUFPY-GHMZBOCLSA-N -1 3 292.162 1.891 20 10 CDCDHM CCC(CC)[C@@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177685061 261712774 /nfs/dbraw/zinc/71/27/74/261712774.db2.gz JDFCMUGGNHIDPC-LBPRGKRZSA-N -1 3 281.352 1.933 20 10 CDCDHM C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])N(C)C ZINC001589956838 1173210630 /nfs/dbraw/zinc/21/06/30/1173210630.db2.gz DQTHWYVJNBNNID-UWVGGRQHSA-N -1 3 290.371 1.173 20 10 CDCDHM CC(=O)OC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790902995 1162176373 /nfs/dbraw/zinc/17/63/73/1162176373.db2.gz SSXRHRZKZMZDFF-UHFFFAOYSA-N -1 3 279.292 1.266 20 10 CDCDHM COc1c([O-])c(CN2CCOC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000364857215 521870279 /nfs/dbraw/zinc/87/02/79/521870279.db2.gz KFMQMPVRBKXUIE-JTQLQIEISA-N -1 3 296.323 1.777 20 10 CDCDHM Cc1ccc(C(=O)NC2CC(F)(F)C2)c([O-])c1O ZINC000277471705 526148598 /nfs/dbraw/zinc/14/85/98/526148598.db2.gz HGCUAUQFDUEQGM-UHFFFAOYSA-N -1 3 257.236 1.934 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H](C)c2nncn2C)c([O-])c1O ZINC000280648317 526172084 /nfs/dbraw/zinc/17/20/84/526172084.db2.gz DEPXEHQYWBRIDZ-SECBINFHSA-N -1 3 290.323 1.068 20 10 CDCDHM Cc1cnn([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000290884612 526266412 /nfs/dbraw/zinc/26/64/12/526266412.db2.gz AFXVRUNHWJFJEN-LLVKDONJSA-N -1 3 287.319 1.690 20 10 CDCDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccccc1O ZINC000158576732 526555522 /nfs/dbraw/zinc/55/55/22/526555522.db2.gz VXCVLZUYJDTLRJ-UHFFFAOYSA-N -1 3 282.321 1.476 20 10 CDCDHM O=C(NC1CCN(C2CC2)CC1)c1c(F)ccc(O)c1[O-] ZINC000276496100 527525545 /nfs/dbraw/zinc/52/55/45/527525545.db2.gz HFYOGTAMJPGVKM-UHFFFAOYSA-N -1 3 294.326 1.594 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCC[C@](F)(CO)C1 ZINC000289901010 527599848 /nfs/dbraw/zinc/59/98/48/527599848.db2.gz UJVYQTTZHIXOKM-CYBMUJFWSA-N -1 3 257.280 1.828 20 10 CDCDHM CC[C@H]1C(=O)NCCN1Cc1c([O-])ccc2ccncc21 ZINC000730254795 574904828 /nfs/dbraw/zinc/90/48/28/574904828.db2.gz URUGZUBXVFGVHG-AWEZNQCLSA-N -1 3 285.347 1.651 20 10 CDCDHM CCNC(=O)CN(CC)C(=O)c1cc([O-])cs1 ZINC000732266602 575084649 /nfs/dbraw/zinc/08/46/49/575084649.db2.gz GQEVEGUHRYKTQN-UHFFFAOYSA-N -1 3 256.327 1.052 20 10 CDCDHM CN(C)C(=O)CN(Cc1ccccc1[O-])CC(F)(F)F ZINC000770509785 575458036 /nfs/dbraw/zinc/45/80/36/575458036.db2.gz UAUXCQQSYNMSGH-UHFFFAOYSA-N -1 3 290.285 1.845 20 10 CDCDHM C[C@@H]1[C@H](C)N(C(=O)c2cc([O-])cs2)CCN1C ZINC000771418859 575578339 /nfs/dbraw/zinc/57/83/39/575578339.db2.gz OPWWZIPUYWZTDS-BDAKNGLRSA-N -1 3 254.355 1.618 20 10 CDCDHM O=C(NC[C@@H](O)c1cccnc1)c1cc([O-])cs1 ZINC000772499471 575711196 /nfs/dbraw/zinc/71/11/96/575711196.db2.gz KVEIJXWAAGXSCB-SNVBAGLBSA-N -1 3 264.306 1.312 20 10 CDCDHM C[C@H](N[C@H]1CCCCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000756395913 575803344 /nfs/dbraw/zinc/80/33/44/575803344.db2.gz KWWJOJRLCXIEJF-UFBFGSQYSA-N -1 3 284.306 1.990 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1CN1CCOCC1 ZINC000743728612 576652754 /nfs/dbraw/zinc/65/27/54/576652754.db2.gz UKYHCDQWKNUAAI-LLVKDONJSA-N -1 3 296.392 1.391 20 10 CDCDHM NC(=O)C[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000746708808 576789576 /nfs/dbraw/zinc/78/95/76/576789576.db2.gz AKMLNYLODACTLZ-QMMMGPOBSA-N -1 3 268.338 1.181 20 10 CDCDHM O=C(NCC1(O)CCCCC1)c1cc([O-])cs1 ZINC000748356146 576908530 /nfs/dbraw/zinc/90/85/30/576908530.db2.gz ONRYNWOLRNCIHK-UHFFFAOYSA-N -1 3 255.339 1.879 20 10 CDCDHM O=C(NC[C@H](O)C(F)(F)F)c1cc([O-])cs1 ZINC000748412036 576911337 /nfs/dbraw/zinc/91/13/37/576911337.db2.gz IHNABNSAUFVHGF-LURJTMIESA-N -1 3 255.217 1.107 20 10 CDCDHM O=C(NC[C@@H]1CCCC[C@H]1O)c1cc([O-])cs1 ZINC000754907134 576921621 /nfs/dbraw/zinc/92/16/21/576921621.db2.gz NTRCSALRYVKFML-WCBMZHEXSA-N -1 3 255.339 1.735 20 10 CDCDHM COC(=O)[C@H](CC1CC1)NCc1cc(F)ccc1[O-] ZINC000840956839 617798722 /nfs/dbraw/zinc/79/87/22/617798722.db2.gz FQVMVPORTGSIRM-LBPRGKRZSA-N -1 3 267.300 1.963 20 10 CDCDHM C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(C(=O)[O-])ccc1[O-] ZINC001604357538 1163162765 /nfs/dbraw/zinc/16/27/65/1163162765.db2.gz LIIKKZCJGZBRIP-LXWXXRIVSA-N -1 3 289.331 1.917 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@]2(C)CO)c1[O-] ZINC000878983750 1166280344 /nfs/dbraw/zinc/28/03/44/1166280344.db2.gz QFASGOHJJRSPPA-SWLSCSKDSA-N -1 3 297.326 1.052 20 10 CDCDHM Nc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000236351108 1178267633 /nfs/dbraw/zinc/26/76/33/1178267633.db2.gz DKISZYBOXJHONP-UHFFFAOYSA-N -1 3 250.195 1.785 20 10 CDCDHM COC[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC000825666475 1165528918 /nfs/dbraw/zinc/52/89/18/1165528918.db2.gz KVTHCEMAJSRUCM-LLVKDONJSA-N -1 3 287.743 1.632 20 10 CDCDHM COc1ccc(C(=O)NCc2ccc(O)c(O)c2)c([O-])c1 ZINC000103234450 797751411 /nfs/dbraw/zinc/75/14/11/797751411.db2.gz QDJWTJOROXGCNV-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604213192 1167853931 /nfs/dbraw/zinc/85/39/31/1167853931.db2.gz DSXHXYJCNJZVPV-BLBZPCKPSA-N -1 3 285.365 1.508 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(F)(F)C(F)(F)C1 ZINC000313314079 900372632 /nfs/dbraw/zinc/37/26/32/900372632.db2.gz JCKDTMWHJDKSHC-UHFFFAOYSA-N -1 3 279.189 1.824 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC001140462642 936712184 /nfs/dbraw/zinc/71/21/84/936712184.db2.gz JUJUXDGNPKLQBZ-WDEREUQCSA-N -1 3 259.708 1.950 20 10 CDCDHM CCC1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000837262001 936836133 /nfs/dbraw/zinc/83/61/33/936836133.db2.gz UMMNKZJYFMRBBZ-UHFFFAOYSA-N -1 3 298.364 1.246 20 10 CDCDHM Cc1ccccc1[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000187089560 923544852 /nfs/dbraw/zinc/54/48/52/923544852.db2.gz JOFSFWJLWDTIHV-CQSZACIVSA-N -1 3 287.315 1.870 20 10 CDCDHM CNC(=O)C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142502453 937023194 /nfs/dbraw/zinc/02/31/94/937023194.db2.gz PKVABDYIWOJVPD-UHFFFAOYSA-N -1 3 284.306 1.628 20 10 CDCDHM CCN(CC(=O)N(C)C)Cc1c([O-])cccc1Cl ZINC000133209738 930333156 /nfs/dbraw/zinc/33/31/56/930333156.db2.gz BIKGLTHYIZZIIP-UHFFFAOYSA-N -1 3 270.760 1.956 20 10 CDCDHM O=C(Nc1ccc(Cl)nn1)c1cc(O)c([O-])c(O)c1 ZINC000170190537 930383475 /nfs/dbraw/zinc/38/34/75/930383475.db2.gz SOBVWCRXBSZMTD-UHFFFAOYSA-N -1 3 281.655 1.499 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCc2[nH]ccc2C1 ZINC000170190756 930395781 /nfs/dbraw/zinc/39/57/81/930395781.db2.gz KSSKDUZWVVOIDE-UHFFFAOYSA-N -1 3 274.276 1.330 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1CC1CC1 ZINC000886467627 930886634 /nfs/dbraw/zinc/88/66/34/930886634.db2.gz HZYFUQGJLHEEAC-LLVKDONJSA-N -1 3 277.320 1.739 20 10 CDCDHM O=C(NCCCc1ccncc1)c1cccc(O)c1[O-] ZINC001148220224 932672408 /nfs/dbraw/zinc/67/24/08/932672408.db2.gz ZKWGOLUKTCEOQE-UHFFFAOYSA-N -1 3 272.304 1.855 20 10 CDCDHM O=C(Nc1ccn2ccnc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148583280 932751043 /nfs/dbraw/zinc/75/10/43/932751043.db2.gz WNKOSTRKOFISQA-UHFFFAOYSA-N -1 3 285.259 1.703 20 10 CDCDHM CC1(C)C[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)CCO1 ZINC001148589831 932755034 /nfs/dbraw/zinc/75/50/34/932755034.db2.gz NAFAQBBECMCHIB-SECBINFHSA-N -1 3 281.308 1.491 20 10 CDCDHM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc([O-])c1 ZINC000803089433 936090117 /nfs/dbraw/zinc/09/01/17/936090117.db2.gz AGAWCCMQCGCAMK-SECBINFHSA-N -1 3 288.303 1.559 20 10 CDCDHM COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447471 942894023 /nfs/dbraw/zinc/89/40/23/942894023.db2.gz UYPBLMKVMMPLJP-NSHDSACASA-N -1 3 279.292 1.085 20 10 CDCDHM COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447471 942894026 /nfs/dbraw/zinc/89/40/26/942894026.db2.gz UYPBLMKVMMPLJP-NSHDSACASA-N -1 3 279.292 1.085 20 10 CDCDHM COC(=O)[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1C ZINC001231454545 942897922 /nfs/dbraw/zinc/89/79/22/942897922.db2.gz ZTNRVUVWSVRELC-CABZTGNLSA-N -1 3 293.319 1.331 20 10 CDCDHM COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1C ZINC001231454545 942897929 /nfs/dbraw/zinc/89/79/29/942897929.db2.gz ZTNRVUVWSVRELC-CABZTGNLSA-N -1 3 293.319 1.331 20 10 CDCDHM COc1cc([O-])c(CN2CC(=O)N[C@H](C)C2)cc1Cl ZINC001232266059 943195054 /nfs/dbraw/zinc/19/50/54/943195054.db2.gz HVTAMMSBPXENPJ-MRVPVSSYSA-N -1 3 284.743 1.375 20 10 CDCDHM COc1cc([O-])c(CN2CC(=O)N(C)C[C@@H]2C)cc1Cl ZINC001232267482 943196729 /nfs/dbraw/zinc/19/67/29/943196729.db2.gz CNQBONZLDSLKFR-VIFPVBQESA-N -1 3 298.770 1.717 20 10 CDCDHM CN1CCC2(CN(Cc3c([O-])ccc(F)c3F)C2)C1=O ZINC001233336601 943548703 /nfs/dbraw/zinc/54/87/03/943548703.db2.gz RRIKWRSLVJECAZ-UHFFFAOYSA-N -1 3 282.290 1.335 20 10 CDCDHM CNC(=O)CN(C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793148 944570821 /nfs/dbraw/zinc/57/08/21/944570821.db2.gz IGSRINHGNAHQAP-UHFFFAOYSA-N -1 3 277.151 1.877 20 10 CDCDHM COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000229118900 949641454 /nfs/dbraw/zinc/64/14/54/949641454.db2.gz DHUODLGCOGZBDG-QMMMGPOBSA-N -1 3 285.727 1.961 20 10 CDCDHM COc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000229118900 949641465 /nfs/dbraw/zinc/64/14/65/949641465.db2.gz DHUODLGCOGZBDG-QMMMGPOBSA-N -1 3 285.727 1.961 20 10 CDCDHM CCCCOC[C@@H](O)CNCC(=O)c1ccc([O-])c(O)c1 ZINC001252532486 951418242 /nfs/dbraw/zinc/41/82/42/951418242.db2.gz NVDIMKWPPYYCRK-LBPRGKRZSA-N -1 3 297.351 1.048 20 10 CDCDHM CNc1nc(C)cc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001303875883 956129534 /nfs/dbraw/zinc/12/95/34/956129534.db2.gz QLYNVDBCLRASBR-UHFFFAOYSA-N -1 3 290.298 1.601 20 10 CDCDHM CC(C)c1ccc(O)c(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001591973610 976579070 /nfs/dbraw/zinc/57/90/70/976579070.db2.gz DIKQIMNPADNBOY-OLZOCXBDSA-N -1 3 279.336 1.535 20 10 CDCDHM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cccc(O)c1[O-] ZINC000366150689 303979645 /nfs/dbraw/zinc/97/96/45/303979645.db2.gz FFEUFDUUNZQUHU-ZUZCIYMTSA-N -1 3 293.319 1.166 20 10 CDCDHM CC1(C)CCC[C@]1(O)CNC(=O)c1cccc(O)c1[O-] ZINC000294476289 199054650 /nfs/dbraw/zinc/05/46/50/199054650.db2.gz RFGLMRQIEHKCMP-HNNXBMFYSA-N -1 3 279.336 1.769 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCOC2)c1[O-] ZINC000135149831 361696783 /nfs/dbraw/zinc/69/67/83/361696783.db2.gz CGUNASALPADAIY-GFCCVEGCSA-N -1 3 267.300 1.955 20 10 CDCDHM COC(=O)CCCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000267553956 363845015 /nfs/dbraw/zinc/84/50/15/363845015.db2.gz DOCQTWHJFATIRN-UHFFFAOYSA-N -1 3 281.308 1.431 20 10 CDCDHM Cc1ccc(C(=O)N2CCC(CO)CC2)c([O-])c1O ZINC000272762340 365386077 /nfs/dbraw/zinc/38/60/77/365386077.db2.gz QOBOMJYFZSHDOW-UHFFFAOYSA-N -1 3 265.309 1.251 20 10 CDCDHM CCn1cc(CNC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000272802966 365404162 /nfs/dbraw/zinc/40/41/62/365404162.db2.gz YUJKUIKHCQXYMG-UHFFFAOYSA-N -1 3 275.308 1.553 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H](C)C2)c([O-])c1O ZINC000272962136 365460978 /nfs/dbraw/zinc/46/09/78/365460978.db2.gz JSUIOFLQRYRPSV-NXEZZACHSA-N -1 3 265.309 1.704 20 10 CDCDHM CCn1cc([C@H](C)NC(=O)c2cccc(O)c2[O-])cn1 ZINC000296888144 371935542 /nfs/dbraw/zinc/93/55/42/371935542.db2.gz IFHJJQSQZYHHGS-VIFPVBQESA-N -1 3 275.308 1.805 20 10 CDCDHM COc1ccc(N(Cc2nc(=O)[n-][nH]2)[C@H](C)C2CC2)cc1 ZINC000122194943 390898381 /nfs/dbraw/zinc/89/83/81/390898381.db2.gz CVQZKWOAYSBWSD-SNVBAGLBSA-N -1 3 288.351 1.912 20 10 CDCDHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177677092 391174012 /nfs/dbraw/zinc/17/40/12/391174012.db2.gz OMZHSFGPVCHSAH-UWVGGRQHSA-N -1 3 294.351 1.439 20 10 CDCDHM CCN(CCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000179583122 391212852 /nfs/dbraw/zinc/21/28/52/391212852.db2.gz VZOYSAKQPAIINY-UHFFFAOYSA-N -1 3 257.355 1.259 20 10 CDCDHM CN(C)c1ccc(CNc2nc3nncc-3c(O)[n-]2)cc1 ZINC000106462929 391339722 /nfs/dbraw/zinc/33/97/22/391339722.db2.gz ILOYVZHJJPGYQH-UHFFFAOYSA-N -1 3 284.323 1.324 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC(C)(C)O1 ZINC000126367394 260349289 /nfs/dbraw/zinc/34/92/89/260349289.db2.gz SPZKDFJUIOPWSL-VIFPVBQESA-N -1 3 265.309 1.737 20 10 CDCDHM CC[C@H](CCO)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182591950 261944748 /nfs/dbraw/zinc/94/47/48/261944748.db2.gz WPQBFXDYMDLXQN-SNVBAGLBSA-N -1 3 267.325 1.545 20 10 CDCDHM CO[C@@H](C)CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591322424 1173607685 /nfs/dbraw/zinc/60/76/85/1173607685.db2.gz QNUGKYYCWOSAJH-VHSXEESVSA-N -1 3 291.355 1.648 20 10 CDCDHM Cc1ncc2c(n1)CC[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC000363918371 327833538 /nfs/dbraw/zinc/83/35/38/327833538.db2.gz HTPDZPKWKYFAIO-NSHDSACASA-N -1 3 299.330 1.484 20 10 CDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC2CC2)c1 ZINC000174568472 1161054910 /nfs/dbraw/zinc/05/49/10/1161054910.db2.gz KRUMCIQVYBMPEP-UHFFFAOYSA-N -1 3 298.364 1.294 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)C2)c1[O-] ZINC000061710879 518277635 /nfs/dbraw/zinc/27/76/35/518277635.db2.gz UNESZMWBITUMAQ-NSHDSACASA-N -1 3 269.728 1.815 20 10 CDCDHM CCOCCO[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280014322 520030139 /nfs/dbraw/zinc/03/01/39/520030139.db2.gz WMCKTZINBGUPAW-NSHDSACASA-N -1 3 295.335 1.365 20 10 CDCDHM CCN(C[C@H](C)OC)C(=O)c1cccc(O)c1[O-] ZINC000291347015 521260385 /nfs/dbraw/zinc/26/03/85/521260385.db2.gz WSWGCRZOZDBKLN-VIFPVBQESA-N -1 3 253.298 1.595 20 10 CDCDHM CCNC(=O)[C@H](C)NCc1cccc(Cl)c1[O-] ZINC000127869030 521745492 /nfs/dbraw/zinc/74/54/92/521745492.db2.gz PAZHWBJHRDYYNZ-QMMMGPOBSA-N -1 3 256.733 1.660 20 10 CDCDHM C[C@H](C[S@](C)=O)N(C)Cc1cc(F)ccc1[O-] ZINC000130871929 524673451 /nfs/dbraw/zinc/67/34/51/524673451.db2.gz SDDNZXWSWPBPCH-VVVCHXIZSA-N -1 3 259.346 1.730 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000291366261 527621505 /nfs/dbraw/zinc/62/15/05/527621505.db2.gz YVBWFXSQKJODCQ-SNVBAGLBSA-N -1 3 275.270 1.981 20 10 CDCDHM CCCN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732277648 575085991 /nfs/dbraw/zinc/08/59/91/575085991.db2.gz PZZPMQTYCNMNMS-UHFFFAOYSA-N -1 3 254.355 1.622 20 10 CDCDHM CCCN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000737827832 575339113 /nfs/dbraw/zinc/33/91/13/575339113.db2.gz ISOFXWVQKOUKKM-UHFFFAOYSA-N -1 3 290.323 1.508 20 10 CDCDHM CCOC(=O)CN(C)Cc1c([O-])cccc1OC ZINC000768245610 576266437 /nfs/dbraw/zinc/26/64/37/576266437.db2.gz BNBWAUCAVUZRQW-UHFFFAOYSA-N -1 3 253.298 1.396 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCS[C@H]2COCC[C@@H]21 ZINC000768374663 576276449 /nfs/dbraw/zinc/27/64/49/576276449.db2.gz KONFBDAYVUUPGJ-ONGXEEELSA-N -1 3 285.390 1.800 20 10 CDCDHM CC[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768441872 576283478 /nfs/dbraw/zinc/28/34/78/576283478.db2.gz PTHWYVRUQWGSOU-SMDDNHRTSA-N -1 3 279.336 1.429 20 10 CDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H](C)CO1 ZINC000768441758 576283658 /nfs/dbraw/zinc/28/36/58/576283658.db2.gz MHPBIVSSHMAISA-RBZYPMLTSA-N -1 3 279.336 1.427 20 10 CDCDHM CCC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768465656 576287127 /nfs/dbraw/zinc/28/71/27/576287127.db2.gz OPNIUDIDXUCFMJ-DOMZBBRYSA-N -1 3 293.363 1.819 20 10 CDCDHM C[C@@H]1[C@H](C)OCCN1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463378 576287181 /nfs/dbraw/zinc/28/71/81/576287181.db2.gz SHOBXWBXPMSRKO-ISTVAULSSA-N -1 3 279.336 1.427 20 10 CDCDHM CN(C(=O)c1cc([O-])cs1)[C@H]1CCCN(C)C1 ZINC000748334730 576905778 /nfs/dbraw/zinc/90/57/78/576905778.db2.gz KSJBGOCUEYHYRV-VIFPVBQESA-N -1 3 254.355 1.620 20 10 CDCDHM C[C@H](N[C@H]1CCCN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756639104 576998375 /nfs/dbraw/zinc/99/83/75/576998375.db2.gz WUSJWYUKTVJSSW-UFBFGSQYSA-N -1 3 284.306 1.942 20 10 CDCDHM CN(CCN1CCOCC1)Cc1cc(F)cc(F)c1[O-] ZINC000893994615 618235172 /nfs/dbraw/zinc/23/51/72/618235172.db2.gz AHEGWKQMQMUTCY-UHFFFAOYSA-N -1 3 286.322 1.434 20 10 CDCDHM Cc1nc(C)c(CC(=O)N(C)c2ccc(N)cc2)c(=O)[n-]1 ZINC000877078549 1165971259 /nfs/dbraw/zinc/97/12/59/1165971259.db2.gz UJQCODWVKHYAJC-UHFFFAOYSA-N -1 3 286.335 1.587 20 10 CDCDHM Cc1cc(-c2nnn[n-]2)cc(N2Cc3cccc(O)c3C2)n1 ZINC001591854332 1173717077 /nfs/dbraw/zinc/71/70/77/1173717077.db2.gz CHERONKGXLPKAZ-UHFFFAOYSA-N -1 3 294.318 1.796 20 10 CDCDHM Cc1cc(-c2nn[n-]n2)cc(N2Cc3cccc(O)c3C2)n1 ZINC001591854332 1173717080 /nfs/dbraw/zinc/71/70/80/1173717080.db2.gz CHERONKGXLPKAZ-UHFFFAOYSA-N -1 3 294.318 1.796 20 10 CDCDHM C[C@H]1CSC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000397945004 814698890 /nfs/dbraw/zinc/69/88/90/814698890.db2.gz SHAWOOHVMQAYJQ-IONNQARKSA-N -1 3 253.323 1.579 20 10 CDCDHM CON(C)C(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858588008 805325237 /nfs/dbraw/zinc/32/52/37/805325237.db2.gz VHCOFLABPGAEOU-RKDXNWHRSA-N -1 3 297.311 1.359 20 10 CDCDHM O=C(NCC[C@H]1CCCC[C@H]1O)c1cccc(O)c1[O-] ZINC000887552326 811924066 /nfs/dbraw/zinc/92/40/66/811924066.db2.gz UFIHPKJGTJWAME-ZYHUDNBSSA-N -1 3 279.336 1.769 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)C[C@@H]2COCCO2)c1[O-] ZINC000852495277 812035657 /nfs/dbraw/zinc/03/56/57/812035657.db2.gz IPWQXPWOQPWVDR-CYBMUJFWSA-N -1 3 297.326 1.581 20 10 CDCDHM O=S1(=O)CCN(Cc2ccc3ccccc3c2[O-])CC1 ZINC000816502589 813541945 /nfs/dbraw/zinc/54/19/45/813541945.db2.gz IINNAQVXOIKBRA-UHFFFAOYSA-N -1 3 291.372 1.776 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@](F)(CO)C2)c1[O-] ZINC000802014305 813547978 /nfs/dbraw/zinc/54/79/78/813547978.db2.gz PQMDNPMKJCQLEZ-AWEZNQCLSA-N -1 3 285.290 1.640 20 10 CDCDHM Cc1cc([O-])c(CN2CCS(=O)CC2)cc1Cl ZINC000824720000 813821238 /nfs/dbraw/zinc/82/12/38/813821238.db2.gz JUYVJFUZXIDHIA-UHFFFAOYSA-N -1 3 273.785 1.918 20 10 CDCDHM C[C@@H]1CN(C)C(=O)CN1Cc1cc(Cl)ccc1[O-] ZINC000783734585 814068128 /nfs/dbraw/zinc/06/81/28/814068128.db2.gz UJPORJSCLMWPJD-SECBINFHSA-N -1 3 268.744 1.708 20 10 CDCDHM CC(C)N(CC(N)=O)Cc1cc(F)cc(F)c1[O-] ZINC000708386561 814712426 /nfs/dbraw/zinc/71/24/26/814712426.db2.gz VQKOKIBLNXRDLH-UHFFFAOYSA-N -1 3 258.268 1.366 20 10 CDCDHM C[C@H](C[C@H](O)c1ccco1)NC(=O)c1cccc(O)c1[O-] ZINC000185842943 816824677 /nfs/dbraw/zinc/82/46/77/816824677.db2.gz IPIOCABZTKLSGO-SKDRFNHKSA-N -1 3 291.303 1.933 20 10 CDCDHM O=C(N[C@H](CO)CC(F)(F)F)c1cccc(O)c1[O-] ZINC000717759376 817270533 /nfs/dbraw/zinc/27/05/33/817270533.db2.gz MMHZPBNHUYIIIM-LURJTMIESA-N -1 3 279.214 1.141 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])c1nccs1 ZINC000187083428 817353309 /nfs/dbraw/zinc/35/33/09/817353309.db2.gz UAUWGVFWACBWBH-UHFFFAOYSA-N -1 3 250.279 1.831 20 10 CDCDHM CCc1cc(CNC(=O)c2cccc(O)c2[O-])on1 ZINC000790773911 817805236 /nfs/dbraw/zinc/80/52/36/817805236.db2.gz QGCQKDLXKNDOTK-UHFFFAOYSA-N -1 3 262.265 1.578 20 10 CDCDHM COC[C@H]1C[C@@H](O)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000844400772 817956768 /nfs/dbraw/zinc/95/67/68/817956768.db2.gz BYUOPKPIIUYTLJ-CHWSQXEVSA-N -1 3 297.326 1.316 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](N2CCOCC2)C1 ZINC001142525071 908859918 /nfs/dbraw/zinc/85/99/18/908859918.db2.gz VXOXSCMKJXLWKA-LBPRGKRZSA-N -1 3 298.333 1.577 20 10 CDCDHM COc1cc([O-])c(CN2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC001236801412 916467716 /nfs/dbraw/zinc/46/77/16/916467716.db2.gz CJOIFUDHKBNPDD-NSHDSACASA-N -1 3 284.743 1.504 20 10 CDCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@H](CO)[C@H](O)C1 ZINC001237120097 917317917 /nfs/dbraw/zinc/31/79/17/917317917.db2.gz JALCZFBSQPJVDU-QPUJVOFHSA-N -1 3 289.734 1.360 20 10 CDCDHM CN(C1COC1)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC001140341216 936703240 /nfs/dbraw/zinc/70/32/40/936703240.db2.gz DUALOAWCIWJSEY-UHFFFAOYSA-N -1 3 282.771 1.560 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CCC2(C1)OCCO2 ZINC001140466429 936712489 /nfs/dbraw/zinc/71/24/89/936712489.db2.gz FKTLEBBAWSRLRF-UHFFFAOYSA-N -1 3 269.728 1.994 20 10 CDCDHM CN(C)C1(C)CN(C(=O)c2cc(O)c([O-])c(Cl)c2)C1 ZINC001193612395 923804835 /nfs/dbraw/zinc/80/48/35/923804835.db2.gz OIQQAXBKEQTJBU-UHFFFAOYSA-N -1 3 284.743 1.527 20 10 CDCDHM CN1C[C@@H](NC(=O)c2cccc(O)c2[O-])Cc2ccccc21 ZINC001150080474 937216525 /nfs/dbraw/zinc/21/65/25/937216525.db2.gz QVALQBPQTKWUQJ-LBPRGKRZSA-N -1 3 298.342 1.889 20 10 CDCDHM CC(=O)Nc1cc(NC(=O)c2cccc(O)c2[O-])ncn1 ZINC001148211914 932666413 /nfs/dbraw/zinc/66/64/13/932666413.db2.gz CAHUEMNVRCTCKE-UHFFFAOYSA-N -1 3 288.263 1.099 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@](O)(CF)CC1 ZINC001148581827 932750785 /nfs/dbraw/zinc/75/07/85/932750785.db2.gz BSXUEIYXIAUXPL-AWEZNQCLSA-N -1 3 299.298 1.130 20 10 CDCDHM CN(C[C@@H]1CC1(C)C)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583814 932751599 /nfs/dbraw/zinc/75/15/99/932751599.db2.gz CCHAUFMMEUPCDQ-VIFPVBQESA-N -1 3 265.309 1.922 20 10 CDCDHM O=C(NC1(c2ccccn2)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148589694 932752872 /nfs/dbraw/zinc/75/28/72/932752872.db2.gz HKJMRUAWJDZXIL-UHFFFAOYSA-N -1 3 286.287 1.618 20 10 CDCDHM COC[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231445852 942892283 /nfs/dbraw/zinc/89/22/83/942892283.db2.gz BQMCTRAOLINGDL-GFCCVEGCSA-N -1 3 265.309 1.701 20 10 CDCDHM COC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231445852 942892287 /nfs/dbraw/zinc/89/22/87/942892287.db2.gz BQMCTRAOLINGDL-GFCCVEGCSA-N -1 3 265.309 1.701 20 10 CDCDHM CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452467 942896703 /nfs/dbraw/zinc/89/67/03/942896703.db2.gz PRUZFKDATLEKEU-ZDUSSCGKSA-N -1 3 292.335 1.191 20 10 CDCDHM CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452467 942896706 /nfs/dbraw/zinc/89/67/06/942896706.db2.gz PRUZFKDATLEKEU-ZDUSSCGKSA-N -1 3 292.335 1.191 20 10 CDCDHM C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@H]1O ZINC001231560462 942926441 /nfs/dbraw/zinc/92/64/41/942926441.db2.gz IQRJFSSLFJESIK-MFKMUULPSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@H]1O ZINC001231560462 942926445 /nfs/dbraw/zinc/92/64/45/942926445.db2.gz IQRJFSSLFJESIK-MFKMUULPSA-N -1 3 279.336 1.683 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCCC[C@](O)(CF)C2)c1 ZINC001231561450 942927838 /nfs/dbraw/zinc/92/78/38/942927838.db2.gz VGKZKZDEAPKOPY-HNNXBMFYSA-N -1 3 297.326 1.777 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCCC[C@](O)(CF)C2)c1 ZINC001231561450 942927842 /nfs/dbraw/zinc/92/78/42/942927842.db2.gz VGKZKZDEAPKOPY-HNNXBMFYSA-N -1 3 297.326 1.777 20 10 CDCDHM CN(CCN1CCOCC1)Cc1c([O-])ccc(F)c1F ZINC001233331630 943545271 /nfs/dbraw/zinc/54/52/71/943545271.db2.gz DRBFIQFFOFCMHB-UHFFFAOYSA-N -1 3 286.322 1.434 20 10 CDCDHM COc1ccc(CN2CCN3CC[C@@H]3C2)c([O-])c1Cl ZINC001236819185 944580138 /nfs/dbraw/zinc/58/01/38/944580138.db2.gz VKJUVFUSUNHZPW-LLVKDONJSA-N -1 3 282.771 1.944 20 10 CDCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@H](O)[C@@H](CO)C1 ZINC001237119728 944661193 /nfs/dbraw/zinc/66/11/93/944661193.db2.gz FEDNSYGZTNYBAU-KCJUWKMLSA-N -1 3 289.734 1.360 20 10 CDCDHM Cc1cc([O-])c(CN2CCNC(=O)C2)cc1Br ZINC001237677873 944921493 /nfs/dbraw/zinc/92/14/93/944921493.db2.gz QWRJVCXKUPVRMO-UHFFFAOYSA-N -1 3 299.168 1.395 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@H]1O ZINC001237934194 945006713 /nfs/dbraw/zinc/00/67/13/945006713.db2.gz IWXAQVIEUWEAFZ-JVXZTZIISA-N -1 3 259.708 1.997 20 10 CDCDHM COC(=O)NC1CN(Cc2cc(F)ccc2[O-])C1 ZINC001261297494 946044532 /nfs/dbraw/zinc/04/45/32/946044532.db2.gz CDDUOXJAIORSTE-UHFFFAOYSA-N -1 3 254.261 1.072 20 10 CDCDHM CCOC(=O)[C@H](NCc1cc(F)ccc1[O-])C1CC1 ZINC001326218807 954272455 /nfs/dbraw/zinc/27/24/55/954272455.db2.gz IVNFLQUJJWTHNF-CYBMUJFWSA-N -1 3 267.300 1.963 20 10 CDCDHM Cc1cncn1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001305083789 956239346 /nfs/dbraw/zinc/23/93/46/956239346.db2.gz CNMFWYNDAPDKJF-UHFFFAOYSA-N -1 3 279.727 1.867 20 10 CDCDHM COc1ccc(C[NH2+]C2CC(C(=O)[O-])C2)c([O-])c1 ZINC001594094555 958389739 /nfs/dbraw/zinc/38/97/39/958389739.db2.gz LOZCVYFCJBZEMB-UHFFFAOYSA-N -1 3 251.282 1.354 20 10 CDCDHM CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605005317 1163411868 /nfs/dbraw/zinc/41/18/68/1163411868.db2.gz GMKMCCCSFZLUIB-OPRDCNLKSA-N -1 3 291.355 1.646 20 10 CDCDHM C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246014 994444377 /nfs/dbraw/zinc/44/43/77/994444377.db2.gz FZTLAOSVYUCUPZ-CUOATXAZSA-N -1 3 295.335 1.281 20 10 CDCDHM C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246016 994444419 /nfs/dbraw/zinc/44/44/19/994444419.db2.gz FZTLAOSVYUCUPZ-HERUPUMHSA-N -1 3 295.335 1.281 20 10 CDCDHM C[C@@H](O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273627 994619654 /nfs/dbraw/zinc/61/96/54/994619654.db2.gz FNRGETQZSYMGSD-RKDXNWHRSA-N -1 3 253.298 1.512 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353617 994982435 /nfs/dbraw/zinc/98/24/35/994982435.db2.gz BSEGZEZETXTINW-WCABBAIRSA-N -1 3 292.335 1.395 20 10 CDCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC(=O)N1 ZINC000295092578 199341478 /nfs/dbraw/zinc/34/14/78/199341478.db2.gz TYEVAJWVQYATJJ-QMMMGPOBSA-N -1 3 299.168 1.475 20 10 CDCDHM CC(C)[C@@]1(CO)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000294730548 199155258 /nfs/dbraw/zinc/15/52/58/199155258.db2.gz LPCVLAWEINCXKG-INIZCTEOSA-N -1 3 293.363 1.969 20 10 CDCDHM COC[C@@]1(C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000294091294 359705509 /nfs/dbraw/zinc/70/55/09/359705509.db2.gz BFVMMRXPXIMXCS-AWEZNQCLSA-N -1 3 265.309 1.596 20 10 CDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C1CC1 ZINC000272267216 365162185 /nfs/dbraw/zinc/16/21/85/365162185.db2.gz RHKVWGOAJYFBNN-UHFFFAOYSA-N -1 3 297.738 1.957 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCC(=O)NC(C)C)c1 ZINC000273438499 365497075 /nfs/dbraw/zinc/49/70/75/365497075.db2.gz XTUMRDDDUSUCQG-SNVBAGLBSA-N -1 3 294.351 1.354 20 10 CDCDHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1O ZINC000270820434 367259495 /nfs/dbraw/zinc/25/94/95/367259495.db2.gz BEJBPDCUUKRDHQ-HZMBPMFUSA-N -1 3 281.327 1.937 20 10 CDCDHM Cc1nnc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])[nH]1 ZINC000286229886 368737708 /nfs/dbraw/zinc/73/77/08/368737708.db2.gz CNVAKTANPAEGCJ-SSDOTTSWSA-N -1 3 276.296 1.324 20 10 CDCDHM CCC[C@H](C)C(=O)NCCNC(=O)c1cccc(O)c1[O-] ZINC000294226825 371002906 /nfs/dbraw/zinc/00/29/06/371002906.db2.gz YTOROEYXBPEMJB-JTQLQIEISA-N -1 3 294.351 1.380 20 10 CDCDHM CC(C)CNC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109772998 390648503 /nfs/dbraw/zinc/64/85/03/390648503.db2.gz YGXKNSDYFAYYRH-GFCCVEGCSA-N -1 3 264.369 1.985 20 10 CDCDHM CC[C@H](C)[C@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179546325 391210682 /nfs/dbraw/zinc/21/06/82/391210682.db2.gz CSYJEYKCQVOAEL-GZMMTYOYSA-N -1 3 267.325 1.543 20 10 CDCDHM CC[C@@]1(C)CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000275991835 287420717 /nfs/dbraw/zinc/42/07/17/287420717.db2.gz NCXYPFMIITVNRC-AWEZNQCLSA-N -1 3 265.309 1.739 20 10 CDCDHM CN(Cc1ccccc1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000272287939 263003290 /nfs/dbraw/zinc/00/32/90/263003290.db2.gz NTHOJQWQJMMZKZ-NSHDSACASA-N -1 3 269.366 1.259 20 10 CDCDHM CN(CC1CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000049251673 424382460 /nfs/dbraw/zinc/38/24/60/424382460.db2.gz DETKZHOXRQJBHQ-UHFFFAOYSA-N -1 3 298.364 1.246 20 10 CDCDHM C[C@@H]1OCC[C@@]12CN(Cc1cc(F)ccc1[O-])CCO2 ZINC000377274168 268062958 /nfs/dbraw/zinc/06/29/58/268062958.db2.gz WMDXVXKXJLEZRS-XHDPSFHLSA-N -1 3 281.327 1.911 20 10 CDCDHM CN(C)C[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000128155140 273801740 /nfs/dbraw/zinc/80/17/40/273801740.db2.gz DXVRWNXTVLOAMC-NSHDSACASA-N -1 3 284.787 1.808 20 10 CDCDHM CCCC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000280400230 328235318 /nfs/dbraw/zinc/23/53/18/328235318.db2.gz GYZIYICNOLZWEF-JTQLQIEISA-N -1 3 281.308 1.559 20 10 CDCDHM O=C(Nc1ccc(Cl)nn1)c1cccc(O)c1[O-] ZINC000126907358 1175521070 /nfs/dbraw/zinc/52/10/70/1175521070.db2.gz MKKCUKQKNFUNPW-UHFFFAOYSA-N -1 3 265.656 1.794 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c([O-])c1O ZINC000182841419 329245291 /nfs/dbraw/zinc/24/52/91/329245291.db2.gz SMGFYVXQNSNZBI-KGLIPLIRSA-N -1 3 299.326 1.794 20 10 CDCDHM COC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@@H](C)O1 ZINC000276117627 522865011 /nfs/dbraw/zinc/86/50/11/522865011.db2.gz XYPPWJQKEUDZKZ-GHMZBOCLSA-N -1 3 295.335 1.282 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000290903242 524988580 /nfs/dbraw/zinc/98/85/80/524988580.db2.gz MGGDOFHWVMQXER-NXEZZACHSA-N -1 3 287.356 1.539 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](O)C[C@H]1CO ZINC000364867278 527596785 /nfs/dbraw/zinc/59/67/85/527596785.db2.gz XDSKJWYLAXPBHQ-JGVFFNPUSA-N -1 3 275.707 1.112 20 10 CDCDHM Cn1cncc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000727470809 574584853 /nfs/dbraw/zinc/58/48/53/574584853.db2.gz NQKRLICTIOBNJP-UHFFFAOYSA-N -1 3 262.269 1.324 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC(Oc2ccncc2)C1 ZINC000732285023 575087022 /nfs/dbraw/zinc/08/70/22/575087022.db2.gz NTPBGRILBQFQPU-UHFFFAOYSA-N -1 3 276.317 1.752 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)N1CCCC1 ZINC000732354500 575088146 /nfs/dbraw/zinc/08/81/46/575088146.db2.gz OBZUBJDXXAHKNV-UHFFFAOYSA-N -1 3 255.295 1.233 20 10 CDCDHM COC(=O)c1ccc(CNC(=O)c2cc([O-])cs2)o1 ZINC000734174694 575160076 /nfs/dbraw/zinc/16/00/76/575160076.db2.gz FTPRUFZFRJANTG-UHFFFAOYSA-N -1 3 281.289 1.763 20 10 CDCDHM CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770503557 575457262 /nfs/dbraw/zinc/45/72/62/575457262.db2.gz RWHJFBFBFUEVGD-HNNXBMFYSA-N -1 3 295.335 1.868 20 10 CDCDHM O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000735523458 575476454 /nfs/dbraw/zinc/47/64/54/575476454.db2.gz WFJUKPZARDUXCG-JTQLQIEISA-N -1 3 280.349 1.337 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1nncn1C ZINC000765423426 576020314 /nfs/dbraw/zinc/02/03/14/576020314.db2.gz AXPRYKKUTCLKCP-ZCFIWIBFSA-N -1 3 252.299 1.073 20 10 CDCDHM C[C@@H]1N(Cc2cc3c(cc2[O-])OC[C@H]3O)CCOC1(C)C ZINC000768461578 576286213 /nfs/dbraw/zinc/28/62/13/576286213.db2.gz DLQWQKNNZGTNQH-IINYFYTJSA-N -1 3 293.363 1.817 20 10 CDCDHM [O-]c1cc2c(cc1CN1CCOC3(CCC3)C1)[C@H](O)CO2 ZINC000768464588 576287381 /nfs/dbraw/zinc/28/73/81/576287381.db2.gz CKZPGDNGPXDDQG-CQSZACIVSA-N -1 3 291.347 1.573 20 10 CDCDHM NC(=O)[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000768732469 576305419 /nfs/dbraw/zinc/30/54/19/576305419.db2.gz LTWMHRZZMXTQEA-NSHDSACASA-N -1 3 294.307 1.549 20 10 CDCDHM C[C@H](N[C@@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760041245 576454197 /nfs/dbraw/zinc/45/41/97/576454197.db2.gz XIETWLFTAWTHJL-JGVFFNPUSA-N -1 3 290.266 1.967 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000759099217 577152112 /nfs/dbraw/zinc/15/21/12/577152112.db2.gz KHTJHBLDOGKBOC-ZJUUUORDSA-N -1 3 280.349 1.337 20 10 CDCDHM O=C(NC[C@@H]1CCCCS1(=O)=O)c1cc([O-])cs1 ZINC000753468206 577170188 /nfs/dbraw/zinc/17/01/88/577170188.db2.gz DCFSGMVFSGUZOT-VIFPVBQESA-N -1 3 289.378 1.151 20 10 CDCDHM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])N(C)C ZINC000890760857 617321389 /nfs/dbraw/zinc/32/13/89/617321389.db2.gz BIKOWCPAPPXRMK-MRVPVSSYSA-N -1 3 256.733 1.612 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@H]1O ZINC000894497753 618917955 /nfs/dbraw/zinc/91/79/55/618917955.db2.gz PXGURUNVHIQPHX-QPUJVOFHSA-N -1 3 257.280 1.873 20 10 CDCDHM CN(Cc1cc(F)cc(F)c1[O-])C[C@@H]1COCCO1 ZINC000895259247 619503381 /nfs/dbraw/zinc/50/33/81/619503381.db2.gz JDDKNHZRDYMXQD-LLVKDONJSA-N -1 3 273.279 1.518 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN(c2cccnn2)CC1 ZINC001137837679 1161522397 /nfs/dbraw/zinc/52/23/97/1161522397.db2.gz QRZUOAXYDRSTRR-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM [O-]c1cccc(Br)c1CN[C@H]1CNOC1 ZINC001580888630 1172566428 /nfs/dbraw/zinc/56/64/28/1172566428.db2.gz SOLPEZUFSUBFPM-ZETCQYMHSA-N -1 3 273.130 1.148 20 10 CDCDHM C[C@@H]([NH2+]CC1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974987 1173217557 /nfs/dbraw/zinc/21/75/57/1173217557.db2.gz DPPVNOOPVKYDSM-MRVPVSSYSA-N -1 3 259.313 1.633 20 10 CDCDHM CC[C@@H]([NH2+]C/C=C/CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467352 1173418290 /nfs/dbraw/zinc/41/82/90/1173418290.db2.gz PSVBLJFCMNRJTO-AAOUONPWSA-N -1 3 289.339 1.162 20 10 CDCDHM C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603695266 1175600758 /nfs/dbraw/zinc/60/07/58/1175600758.db2.gz JPFGAOHEZUFAJK-KXUCPTDWSA-N -1 3 291.355 1.382 20 10 CDCDHM C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cccc(O)c1[O-] ZINC000185842961 818322277 /nfs/dbraw/zinc/32/22/77/818322277.db2.gz IPIOCABZTKLSGO-JOYOIKCWSA-N -1 3 291.303 1.933 20 10 CDCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CC(=O)N1 ZINC000826064528 818394743 /nfs/dbraw/zinc/39/47/43/818394743.db2.gz LBFUXUNOVYWSTM-MRVPVSSYSA-N -1 3 299.168 1.475 20 10 CDCDHM C[C@H](Cn1ccnc1)NC(=O)c1cccc(O)c1[O-] ZINC000126308236 819285185 /nfs/dbraw/zinc/28/51/85/819285185.db2.gz JDQDMAGOXCLXBP-SECBINFHSA-N -1 3 261.281 1.113 20 10 CDCDHM Cn1nccc1[C@H](CO)NCc1cc(F)cc(F)c1[O-] ZINC000883144486 819695965 /nfs/dbraw/zinc/69/59/65/819695965.db2.gz QIWFBBLMIUWJAJ-NSHDSACASA-N -1 3 283.278 1.227 20 10 CDCDHM Cc1ccc(C(=O)Nc2nncs2)c([O-])c1O ZINC000177667426 819840460 /nfs/dbraw/zinc/84/04/60/819840460.db2.gz FLDRJANSAWZFAL-UHFFFAOYSA-N -1 3 251.267 1.510 20 10 CDCDHM COc1ccc(N2CCN([C@@H](C)C(=O)[O-])CC2)c(OC)c1 ZINC000873645545 820121294 /nfs/dbraw/zinc/12/12/94/820121294.db2.gz YXRGPHZSAVPWNT-NSHDSACASA-N -1 3 294.351 1.299 20 10 CDCDHM Cc1c(NC(=O)c2ccc(C)c(O)c2[O-])cnn1C ZINC000182596093 821533716 /nfs/dbraw/zinc/53/37/16/821533716.db2.gz MNASPCZBXSUYNH-UHFFFAOYSA-N -1 3 261.281 1.700 20 10 CDCDHM CCS(=O)(=O)C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000841886397 821745336 /nfs/dbraw/zinc/74/53/36/821745336.db2.gz PRNLLCHSVSPFFP-UHFFFAOYSA-N -1 3 289.784 1.665 20 10 CDCDHM O=S(=O)(C[C@H]1CCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000085204654 821991824 /nfs/dbraw/zinc/99/18/24/821991824.db2.gz KUSDETFQXQRRLX-SECBINFHSA-N -1 3 291.756 1.966 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCc3nn[nH]c3C2)c1[O-] ZINC000788469921 822384508 /nfs/dbraw/zinc/38/45/08/822384508.db2.gz ROQJTJZIQNXLEK-UHFFFAOYSA-N -1 3 290.298 1.410 20 10 CDCDHM O=C(Nc1ccc(-n2ccnc2)nc1)c1cccc(O)c1[O-] ZINC000186882074 822645590 /nfs/dbraw/zinc/64/55/90/822645590.db2.gz FBEJODYPAKZYIX-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM CC(=O)N1CCC2(CN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001142520158 908845077 /nfs/dbraw/zinc/84/50/77/908845077.db2.gz CEVSOFJPZAXNAL-UHFFFAOYSA-N -1 3 296.317 1.725 20 10 CDCDHM O=C(NCCc1ccc(O)c(O)c1)c1cccc2n[n-]nc21 ZINC000182804860 917348335 /nfs/dbraw/zinc/34/83/35/917348335.db2.gz UGGRZAHLERUYOL-UHFFFAOYSA-N -1 3 298.302 1.342 20 10 CDCDHM [O-]c1ccc(F)cc1CN1C[C@@H](CO)CC(F)(F)C1 ZINC001140058411 936675258 /nfs/dbraw/zinc/67/52/58/936675258.db2.gz YJJAKODABVEJHT-VIFPVBQESA-N -1 3 275.270 1.981 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@]3(CO)C2)c1[O-] ZINC000782626300 937257208 /nfs/dbraw/zinc/25/72/08/937257208.db2.gz ZVKYZWCPMMFPGP-XHDPSFHLSA-N -1 3 279.311 1.548 20 10 CDCDHM O=C(Nc1noc2nccnc12)c1cccc(O)c1[O-] ZINC001148213157 932668815 /nfs/dbraw/zinc/66/88/15/932668815.db2.gz YNRYLFFCPFHVDU-UHFFFAOYSA-N -1 3 272.220 1.281 20 10 CDCDHM O=C(NCc1ccc2n[nH]cc2c1)c1cccc(O)c1[O-] ZINC001148220032 932671962 /nfs/dbraw/zinc/67/19/62/932671962.db2.gz MGCGNRVOYQLBDP-UHFFFAOYSA-N -1 3 283.287 1.904 20 10 CDCDHM Cc1ccc(CO)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581620 932750750 /nfs/dbraw/zinc/75/07/50/932750750.db2.gz QUSFCJADOQTEKI-UHFFFAOYSA-N -1 3 289.287 1.856 20 10 CDCDHM CC(C)(C)CC[C@@H](NC(=O)c1cccc(O)c1[O-])C(N)=O ZINC001155937769 937690518 /nfs/dbraw/zinc/69/05/18/937690518.db2.gz FTMAVPDOGKOCBU-SNVBAGLBSA-N -1 3 294.351 1.508 20 10 CDCDHM COc1ccncc1CNC(=O)c1cccc(O)c1[O-] ZINC000688949853 934756944 /nfs/dbraw/zinc/75/69/44/934756944.db2.gz KMAPJTXYJWKJIU-UHFFFAOYSA-N -1 3 274.276 1.431 20 10 CDCDHM O=C1NC[C@]2(CCCN(Cc3c([O-])ccc(F)c3F)C2)O1 ZINC001233335351 943549201 /nfs/dbraw/zinc/54/92/01/943549201.db2.gz RKJHSFMOLQCWHK-AWEZNQCLSA-N -1 3 298.289 1.745 20 10 CDCDHM Cc1cc(Br)c([O-])c(CN2CC(CO)C2)c1 ZINC001236665588 944539519 /nfs/dbraw/zinc/53/95/19/944539519.db2.gz KYXRDMTYTKDHML-UHFFFAOYSA-N -1 3 286.169 1.887 20 10 CDCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)C(F)F ZINC001259960157 945749621 /nfs/dbraw/zinc/74/96/21/945749621.db2.gz DGPOLVXBKDTGKY-UHFFFAOYSA-N -1 3 290.335 1.929 20 10 CDCDHM CC[C@H](O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605111845 1163456704 /nfs/dbraw/zinc/45/67/04/1163456704.db2.gz RZVPWXZILSSTLP-KOLCDFICSA-N -1 3 267.325 1.902 20 10 CDCDHM CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599322064 997599766 /nfs/dbraw/zinc/59/97/66/997599766.db2.gz FLKCHXRQCDJJPQ-GAJTVXKRSA-N -1 3 295.335 1.545 20 10 CDCDHM CO[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001599125049 997826396 /nfs/dbraw/zinc/82/63/96/997826396.db2.gz YNBZPZATKURYBQ-OLZOCXBDSA-N -1 3 279.336 1.765 20 10 CDCDHM CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001599125049 997826407 /nfs/dbraw/zinc/82/64/07/997826407.db2.gz YNBZPZATKURYBQ-OLZOCXBDSA-N -1 3 279.336 1.765 20 10 CDCDHM CC(C)CN(CC(N)=O)Cc1cc(F)ccc1[O-] ZINC000179938377 357232555 /nfs/dbraw/zinc/23/25/55/357232555.db2.gz TXUDKXZUNAKWBR-UHFFFAOYSA-N -1 3 254.305 1.475 20 10 CDCDHM COC(=O)[C@H](NCc1cc(Cl)cc(C)c1[O-])[C@@H](C)O ZINC000191958735 358164543 /nfs/dbraw/zinc/16/45/43/358164543.db2.gz ZXEMBPBUTSMDHW-LDYMZIIASA-N -1 3 287.743 1.366 20 10 CDCDHM O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1ccccc1[O-] ZINC000365277258 359238693 /nfs/dbraw/zinc/23/86/93/359238693.db2.gz INIBYCNEEZERTL-KGLIPLIRSA-N -1 3 275.348 1.962 20 10 CDCDHM CCN(Cc1cccc(Cl)c1[O-])[C@@H]1CCNC1=O ZINC000281722677 367679639 /nfs/dbraw/zinc/67/96/39/367679639.db2.gz IOHRAZKATOSOQT-LLVKDONJSA-N -1 3 268.744 1.756 20 10 CDCDHM O=C(C1CC1)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000119096484 390839910 /nfs/dbraw/zinc/83/99/10/390839910.db2.gz FCBKRMNSEPFDQF-UHFFFAOYSA-N -1 3 292.354 1.976 20 10 CDCDHM CCCOc1ccc(CN2CCNC(=O)C2(C)C)c([O-])c1 ZINC000093084769 390899376 /nfs/dbraw/zinc/89/93/76/390899376.db2.gz OWTCOYYSISAEMP-UHFFFAOYSA-N -1 3 292.379 1.891 20 10 CDCDHM CN(C)C(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096971011 390915481 /nfs/dbraw/zinc/91/54/81/390915481.db2.gz ARIMWMSSWBEFMN-AWEZNQCLSA-N -1 3 292.379 1.461 20 10 CDCDHM Cc1ccc(C(=O)N2CCN(CC3CC3)CC2)c([O-])c1O ZINC000177673805 391173795 /nfs/dbraw/zinc/17/37/95/391173795.db2.gz HWLGXEBIJGMMPO-UHFFFAOYSA-N -1 3 290.363 1.574 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([O-])c1O ZINC000179514370 391208146 /nfs/dbraw/zinc/20/81/46/391208146.db2.gz AFPZIIGSXDERTG-HONMWMINSA-N -1 3 291.347 1.950 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H](n3cncn3)C2)c([O-])c1O ZINC000364478170 391380963 /nfs/dbraw/zinc/38/09/63/391380963.db2.gz TVWQFRGVSFHGLZ-JTQLQIEISA-N -1 3 288.307 1.085 20 10 CDCDHM C[C@@H]1CC(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000368594220 267190411 /nfs/dbraw/zinc/19/04/11/267190411.db2.gz RTBMJFSHZAUKGO-SECBINFHSA-N -1 3 268.744 1.756 20 10 CDCDHM CCC[C@]1(CO)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000290482535 328259232 /nfs/dbraw/zinc/25/92/32/328259232.db2.gz DFJWAWRSNUWHPM-HNNXBMFYSA-N -1 3 279.336 1.723 20 10 CDCDHM O=S1(=O)CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000226565097 329261282 /nfs/dbraw/zinc/26/12/82/329261282.db2.gz VTTSIEOUDXARNC-UHFFFAOYSA-N -1 3 273.329 1.152 20 10 CDCDHM CO[C@]1(C)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000230268832 333316047 /nfs/dbraw/zinc/31/60/47/333316047.db2.gz OEEDGSCHICTOCF-CQSZACIVSA-N -1 3 265.309 1.739 20 10 CDCDHM CCOC(=O)[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000279408186 521001892 /nfs/dbraw/zinc/00/18/92/521001892.db2.gz XBDOWKYJJPYRIS-QMMMGPOBSA-N -1 3 267.281 1.027 20 10 CDCDHM CC[C@@H](CCO)CNC(=O)c1cccc(O)c1[O-] ZINC000126633173 522504496 /nfs/dbraw/zinc/50/44/96/522504496.db2.gz HHNHNLMUTVVEAQ-VIFPVBQESA-N -1 3 253.298 1.236 20 10 CDCDHM C[C@H]1CCN(Cc2cc(F)ccc2[O-])CC[S@@]1=O ZINC000277418877 524292917 /nfs/dbraw/zinc/29/29/17/524292917.db2.gz ICHDTXOKDKNNGC-XTZNXHDOSA-N -1 3 271.357 1.874 20 10 CDCDHM C[C@@H]1CCN(Cc2ccccc2[O-])CC[S@]1=O ZINC000277655738 524514611 /nfs/dbraw/zinc/51/46/11/524514611.db2.gz ORBWSPLDRORWPI-DIFFPNOSSA-N -1 3 253.367 1.735 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCC[C@@](F)(CO)C1 ZINC000289856176 527626219 /nfs/dbraw/zinc/62/62/19/527626219.db2.gz QGYWWGUHGVLOJT-ZDUSSCGKSA-N -1 3 257.280 1.828 20 10 CDCDHM COc1ncccc1CNC(=O)c1cc([O-])cs1 ZINC000732267555 575084949 /nfs/dbraw/zinc/08/49/49/575084949.db2.gz KJKDSHVQCUCKGA-UHFFFAOYSA-N -1 3 264.306 1.787 20 10 CDCDHM CCOc1ccc(CN(CC)CC(=O)N(C)C)c([O-])c1 ZINC000768308145 576270896 /nfs/dbraw/zinc/27/08/96/576270896.db2.gz NZZLJPLJDYYPJD-UHFFFAOYSA-N -1 3 280.368 1.701 20 10 CDCDHM Cc1ccc([C@H](O)CNC(=O)c2cc([O-])cs2)o1 ZINC000741299824 576550635 /nfs/dbraw/zinc/55/06/35/576550635.db2.gz PEKPDLDXGLQCPL-SECBINFHSA-N -1 3 267.306 1.819 20 10 CDCDHM COc1ccc([O-])c([C@@H]2NC3(CCCC3)C(=O)N2C)c1 ZINC000742442347 576603676 /nfs/dbraw/zinc/60/36/76/576603676.db2.gz GMNRCQAHIWJMNR-CYBMUJFWSA-N -1 3 276.336 1.774 20 10 CDCDHM CN(C)c1cccc(CNC(=O)c2cc([O-])cs2)n1 ZINC000755329429 576940214 /nfs/dbraw/zinc/94/02/14/576940214.db2.gz SLARSNJTSJJNFE-UHFFFAOYSA-N -1 3 277.349 1.845 20 10 CDCDHM C[C@@H](N[C@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756524445 576993789 /nfs/dbraw/zinc/99/37/89/576993789.db2.gz FTMNVAOKHOWCDG-APPZFPTMSA-N -1 3 270.279 1.552 20 10 CDCDHM O=C([O-])C[C@]1([NH2+]Cc2cc(F)ccc2[O-])CCCOC1 ZINC001601936506 1175075371 /nfs/dbraw/zinc/07/53/71/1175075371.db2.gz VOBSBYPHLFNSSO-CQSZACIVSA-N -1 3 283.299 1.645 20 10 CDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CC=CC2)c1 ZINC000151005171 630314487 /nfs/dbraw/zinc/31/44/87/630314487.db2.gz HNTGDJGLYZQDRG-UHFFFAOYSA-N -1 3 296.348 1.212 20 10 CDCDHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1O ZINC001605439628 1163563000 /nfs/dbraw/zinc/56/30/00/1163563000.db2.gz RNYLYORMYCJQQJ-QMMMGPOBSA-N -1 3 298.306 1.391 20 10 CDCDHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1O ZINC001605439628 1163563005 /nfs/dbraw/zinc/56/30/05/1163563005.db2.gz RNYLYORMYCJQQJ-QMMMGPOBSA-N -1 3 298.306 1.391 20 10 CDCDHM Cc1cc(C)c(O)c(CN2CCOC[C@@H]2CC(=O)[O-])c1 ZINC001607620820 1164243840 /nfs/dbraw/zinc/24/38/40/1164243840.db2.gz JPGQHYWTSXADEY-ZDUSSCGKSA-N -1 3 279.336 1.685 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2c([O-])cccc2F)CCCO1 ZINC001137840325 1167031220 /nfs/dbraw/zinc/03/12/20/1167031220.db2.gz XLGVIRBWJKRRBY-CYBMUJFWSA-N -1 3 283.299 1.295 20 10 CDCDHM C[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])N(C)C ZINC001589956834 1173212319 /nfs/dbraw/zinc/21/23/19/1173212319.db2.gz DQTHWYVJNBNNID-NXEZZACHSA-N -1 3 290.371 1.173 20 10 CDCDHM CC[C@H](O)CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604067150 1175746850 /nfs/dbraw/zinc/74/68/50/1175746850.db2.gz VCYMWRBYXJIHNE-UWVGGRQHSA-N -1 3 291.355 1.384 20 10 CDCDHM COC(=O)[C@H](CC(F)F)NCc1cc(F)ccc1[O-] ZINC000789578557 824159475 /nfs/dbraw/zinc/15/94/75/824159475.db2.gz BSNWOYXYRSVFKM-VIFPVBQESA-N -1 3 277.242 1.818 20 10 CDCDHM [O-]c1c(Br)cccc1CN1CC[C@@H](O)C1 ZINC000128086683 824408099 /nfs/dbraw/zinc/40/80/99/824408099.db2.gz DLCGFXLJUQUXDG-SECBINFHSA-N -1 3 272.142 1.721 20 10 CDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)C(C)C ZINC000839866429 824473493 /nfs/dbraw/zinc/47/34/93/824473493.db2.gz FLLIMFDAGHGIMQ-CMPLNLGQSA-N -1 3 267.325 1.623 20 10 CDCDHM NC(=O)C1(NCc2cccc(Br)c2[O-])CC1 ZINC000191485180 825070210 /nfs/dbraw/zinc/07/02/10/825070210.db2.gz DVOMEMWNEUDRBY-UHFFFAOYSA-N -1 3 285.141 1.262 20 10 CDCDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])CCCO1 ZINC000126482191 825194928 /nfs/dbraw/zinc/19/49/28/825194928.db2.gz GMLCWHXLXCZZEU-CYBMUJFWSA-N -1 3 251.282 1.397 20 10 CDCDHM Cc1ccc(C(=O)NOC2CCOCC2)c([O-])c1O ZINC000775247137 826148024 /nfs/dbraw/zinc/14/80/24/826148024.db2.gz BYUIXBBOGOTJFC-UHFFFAOYSA-N -1 3 267.281 1.247 20 10 CDCDHM Oc1cc(O)c(CCNc2ccc(=S)[n-]n2)cc1O ZINC001168009107 905415095 /nfs/dbraw/zinc/41/50/95/905415095.db2.gz IUGVHSGWFNWMBP-UHFFFAOYSA-N -1 3 279.321 1.537 20 10 CDCDHM CCCN1CC(=O)N[C@H]1c1cc(Br)ccc1[O-] ZINC000840822329 906397912 /nfs/dbraw/zinc/39/79/12/906397912.db2.gz LNDXPWCQEPJZPK-GFCCVEGCSA-N -1 3 299.168 1.995 20 10 CDCDHM COC(=O)[C@H]1CN(C)CCN1Cc1ccc(Cl)cc1[O-] ZINC001140464582 936712830 /nfs/dbraw/zinc/71/28/30/936712830.db2.gz WBJJHXSOBMTLHH-GFCCVEGCSA-N -1 3 298.770 1.335 20 10 CDCDHM COCCN(CCOC)Cc1cc(F)c(F)cc1[O-] ZINC001142502535 937023384 /nfs/dbraw/zinc/02/33/84/937023384.db2.gz RNRYOEIQDBREMK-UHFFFAOYSA-N -1 3 275.295 1.765 20 10 CDCDHM Cc1nc2c([nH]1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001148211902 932667247 /nfs/dbraw/zinc/66/72/47/932667247.db2.gz BPADIBJGDKRUJZ-UHFFFAOYSA-N -1 3 287.319 1.370 20 10 CDCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@](C)(CO)C1 ZINC001148212277 932668985 /nfs/dbraw/zinc/66/89/85/932668985.db2.gz VPSZWPZDJZWLJJ-HNNXBMFYSA-N -1 3 279.336 1.721 20 10 CDCDHM CCCCC(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001148220216 932671993 /nfs/dbraw/zinc/67/19/93/932671993.db2.gz YYQFJGAHVAOFGU-VIFPVBQESA-N -1 3 265.309 1.975 20 10 CDCDHM O=C(Nc1ccc2n[nH]cc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148581629 932750332 /nfs/dbraw/zinc/75/03/32/932750332.db2.gz QYGHIBCLFOHRNH-UHFFFAOYSA-N -1 3 285.259 1.932 20 10 CDCDHM O=C(Nc1cccc2cnncc21)c1cc(O)c([O-])c(O)c1 ZINC001148588607 932752994 /nfs/dbraw/zinc/75/29/94/932752994.db2.gz WQBTYTGPMYEKCN-UHFFFAOYSA-N -1 3 297.270 1.999 20 10 CDCDHM O=C(NCc1ccc(Cl)nn1)c1cc(O)c([O-])c(O)c1 ZINC001148589982 932755124 /nfs/dbraw/zinc/75/51/24/932755124.db2.gz UIAOXEWNNDWCLC-UHFFFAOYSA-N -1 3 295.682 1.177 20 10 CDCDHM CN(C)c1ccnc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001156170073 938327753 /nfs/dbraw/zinc/32/77/53/938327753.db2.gz FKHHIPSPQKITGE-UHFFFAOYSA-N -1 3 289.310 1.922 20 10 CDCDHM CN(C)C(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000401638994 940874170 /nfs/dbraw/zinc/87/41/70/940874170.db2.gz FYMWKQIDWGMLAQ-UHFFFAOYSA-N -1 3 281.331 1.331 20 10 CDCDHM O=C([O-])c1ccc(O)c(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001231560239 942925613 /nfs/dbraw/zinc/92/56/13/942925613.db2.gz DBYORLLXZKLQDA-PWSUYJOCSA-N -1 3 299.273 1.556 20 10 CDCDHM C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@]1(C)O ZINC001231560784 942926048 /nfs/dbraw/zinc/92/60/48/942926048.db2.gz MLIBDHUKXOYCFS-BMIGLBTASA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@]1(C)O ZINC001231560784 942926056 /nfs/dbraw/zinc/92/60/56/942926056.db2.gz MLIBDHUKXOYCFS-BMIGLBTASA-N -1 3 279.336 1.683 20 10 CDCDHM COc1cc([O-])c(CN2CC(CO)C2)cc1Cl ZINC001232264944 943194825 /nfs/dbraw/zinc/19/48/25/943194825.db2.gz OVBIPRCNBCJYBE-UHFFFAOYSA-N -1 3 257.717 1.478 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCN(CCCO)CC1 ZINC001233332524 943546984 /nfs/dbraw/zinc/54/69/84/943546984.db2.gz OBGUMCJSSQMSMZ-UHFFFAOYSA-N -1 3 286.322 1.170 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCc2nccn2CC1 ZINC001233335938 943548354 /nfs/dbraw/zinc/54/83/54/943548354.db2.gz RSZQIDZPTGKVIG-UHFFFAOYSA-N -1 3 279.290 1.925 20 10 CDCDHM O=C1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCCN1 ZINC001233452245 943587601 /nfs/dbraw/zinc/58/76/01/943587601.db2.gz OWGSCMBZVIYWJH-UHFFFAOYSA-N -1 3 288.269 1.733 20 10 CDCDHM CN1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1=O ZINC001233451701 943588353 /nfs/dbraw/zinc/58/83/53/943588353.db2.gz VUWXYXRGZYQRMT-UHFFFAOYSA-N -1 3 288.269 1.685 20 10 CDCDHM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCc2nccn2C1 ZINC001234476511 943860870 /nfs/dbraw/zinc/86/08/70/943860870.db2.gz MQXSCIRDKYNUCC-SNVBAGLBSA-N -1 3 288.303 1.891 20 10 CDCDHM COc1ccc(CN2CC[C@H](F)[C@@H](O)C2)c([O-])c1Cl ZINC001236801189 944574379 /nfs/dbraw/zinc/57/43/79/944574379.db2.gz HEUBWIYBIVEGGB-UWVGGRQHSA-N -1 3 289.734 1.959 20 10 CDCDHM CCc1nnc(-c2ccc([O-])c(CN3CCOCC3)c2)o1 ZINC001255144995 947749788 /nfs/dbraw/zinc/74/97/88/947749788.db2.gz RXTCZMZXLYPVOR-UHFFFAOYSA-N -1 3 289.335 1.837 20 10 CDCDHM C[C@H]([NH2+]Cc1cc(C(=O)[O-])nn1C)c1ccccc1[O-] ZINC001594241062 959533547 /nfs/dbraw/zinc/53/35/47/959533547.db2.gz VRYADEZUVCQMLS-VIFPVBQESA-N -1 3 275.308 1.675 20 10 CDCDHM C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286441 994645075 /nfs/dbraw/zinc/64/50/75/994645075.db2.gz SVHNHXBYNFAEAL-JQWIXIFHSA-N -1 3 278.352 1.835 20 10 CDCDHM CCN1CC(=O)N[C@H]1c1cc(Br)ccc1[O-] ZINC000189871180 358043785 /nfs/dbraw/zinc/04/37/85/358043785.db2.gz HZLYPWDKTZVOOD-LLVKDONJSA-N -1 3 285.141 1.605 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N(CCO)C1CCC1 ZINC000222151927 359321858 /nfs/dbraw/zinc/32/18/58/359321858.db2.gz FDZBENCOKSRKSP-UHFFFAOYSA-N -1 3 251.282 1.085 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@](C)(O)C2)c1[O-] ZINC000227099561 359783582 /nfs/dbraw/zinc/78/35/82/359783582.db2.gz WJQSPKXAZRTNBZ-AWEZNQCLSA-N -1 3 267.300 1.691 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCCc3c[nH]nc32)c([O-])c1O ZINC000272799931 365402461 /nfs/dbraw/zinc/40/24/61/365402461.db2.gz YJIRHSYZEYAMJL-LLVKDONJSA-N -1 3 287.319 1.937 20 10 CDCDHM C[C@H](N[C@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273378342 365491049 /nfs/dbraw/zinc/49/10/49/365491049.db2.gz HTRMRGKYHNBKHC-CABZTGNLSA-N -1 3 293.323 1.620 20 10 CDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)O ZINC000293962225 371350276 /nfs/dbraw/zinc/35/02/76/371350276.db2.gz IQGBBPAXTYAVPI-JTQLQIEISA-N -1 3 253.298 1.377 20 10 CDCDHM NC(=O)[C@@H]1CN(Cc2c([O-])ccc3ccccc32)CCO1 ZINC000050926859 375532785 /nfs/dbraw/zinc/53/27/85/375532785.db2.gz OPQGRMDCCIDUGH-HNNXBMFYSA-N -1 3 286.331 1.232 20 10 CDCDHM O=C1N[C@H](c2cc(F)ccc2[O-])N2CCSC[C@@H]12 ZINC000270761666 296394662 /nfs/dbraw/zinc/39/46/62/296394662.db2.gz DMEBDHQURFVFQN-ONGXEEELSA-N -1 3 268.313 1.077 20 10 CDCDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000179575378 391212038 /nfs/dbraw/zinc/21/20/38/391212038.db2.gz STURPCRPMRHOHM-LLVKDONJSA-N -1 3 271.382 1.647 20 10 CDCDHM Cc1ccc(C(=O)N2CCOCC2(C)C)c([O-])c1O ZINC000182223410 261930675 /nfs/dbraw/zinc/93/06/75/261930675.db2.gz HQNYAQBJXPGIAB-UHFFFAOYSA-N -1 3 265.309 1.657 20 10 CDCDHM CC1(C)[C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H]2CCO[C@@H]21 ZINC000187120669 262124886 /nfs/dbraw/zinc/12/48/86/262124886.db2.gz HPKCZNQICSJULN-XDTLVQLUSA-N -1 3 277.320 1.641 20 10 CDCDHM CCn1nncc1CNCc1cc(Cl)cc(OC)c1[O-] ZINC000529638188 271011094 /nfs/dbraw/zinc/01/10/94/271011094.db2.gz HVZXIEKGZVJEAB-UHFFFAOYSA-N -1 3 296.758 1.955 20 10 CDCDHM C[C@@H]1c2nncn2CCN1Cc1cc2c(cc1[O-])OCO2 ZINC000276784465 289105185 /nfs/dbraw/zinc/10/51/85/289105185.db2.gz KBACXPLECZMUBW-SECBINFHSA-N -1 3 288.307 1.289 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@](C)(O)C(F)(F)F)c([O-])c1O ZINC000272945573 328201798 /nfs/dbraw/zinc/20/17/98/328201798.db2.gz HQQJMPUAMDGURA-LLVKDONJSA-N -1 3 293.241 1.449 20 10 CDCDHM CCN(C)C(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274825336 520174935 /nfs/dbraw/zinc/17/49/35/520174935.db2.gz ZPBHYSUPHOSHIO-SECBINFHSA-N -1 3 281.312 1.429 20 10 CDCDHM CCNC(=O)C1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000277139471 521733389 /nfs/dbraw/zinc/73/33/89/521733389.db2.gz VBSVYYDUYQZRHU-UHFFFAOYSA-N -1 3 292.335 1.134 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2COC[C@@H]2OC)c1 ZINC000290237411 522137539 /nfs/dbraw/zinc/13/75/39/522137539.db2.gz SIEYAGNIRJMYIO-LQJRIPTKSA-N -1 3 295.335 1.243 20 10 CDCDHM CN(CCN1CCOCC1)Cc1c([O-])cccc1Cl ZINC000130724687 522839074 /nfs/dbraw/zinc/83/90/74/522839074.db2.gz HXUZGPURNXZBJL-UHFFFAOYSA-N -1 3 284.787 1.810 20 10 CDCDHM COC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000126252600 523622739 /nfs/dbraw/zinc/62/27/39/523622739.db2.gz DTDKYFOFJHEHFQ-JTQLQIEISA-N -1 3 267.281 1.025 20 10 CDCDHM O=C(NCCCO[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000274948584 527689392 /nfs/dbraw/zinc/68/93/92/527689392.db2.gz HSVKBMPTCYNIHS-JTQLQIEISA-N -1 3 281.308 1.023 20 10 CDCDHM O=C([O-])[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccccc1[O-] ZINC001601640376 1174923226 /nfs/dbraw/zinc/92/32/26/1174923226.db2.gz BOCSAICTYWYKEY-RYUDHWBXSA-N -1 3 265.309 1.504 20 10 CDCDHM C[C@H](Cn1ccnc1)NC(=O)c1cc([O-])cs1 ZINC000732268757 575085206 /nfs/dbraw/zinc/08/52/06/575085206.db2.gz BIMSGTOXOIPJEE-MRVPVSSYSA-N -1 3 251.311 1.469 20 10 CDCDHM NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000732277273 575085809 /nfs/dbraw/zinc/08/58/09/575085809.db2.gz JJUVJVMLBPOSOS-LLVKDONJSA-N -1 3 290.344 1.280 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](C2OCCO2)C1 ZINC000732281850 575086616 /nfs/dbraw/zinc/08/66/16/575086616.db2.gz CJJPRAOCSFCXLU-VIFPVBQESA-N -1 3 283.349 1.679 20 10 CDCDHM CC(C)(C)NC(=O)CCNC(=O)c1cc([O-])cs1 ZINC000732285699 575086963 /nfs/dbraw/zinc/08/69/63/575086963.db2.gz LHMVILHSFZFCBC-UHFFFAOYSA-N -1 3 270.354 1.488 20 10 CDCDHM O=C(NCCOC[C@@H]1CCOC1)c1cc([O-])cs1 ZINC000732291017 575087361 /nfs/dbraw/zinc/08/73/61/575087361.db2.gz MNZYTXGQIWBRND-SECBINFHSA-N -1 3 271.338 1.237 20 10 CDCDHM CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353526 575088168 /nfs/dbraw/zinc/08/81/68/575088168.db2.gz SMYXLSTYKTTWLD-JGVFFNPUSA-N -1 3 271.338 1.914 20 10 CDCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC[C@@H]1CCCO1 ZINC000734190409 575161798 /nfs/dbraw/zinc/16/17/98/575161798.db2.gz WJPBSIGINMNUON-WPRPVWTQSA-N -1 3 299.348 1.294 20 10 CDCDHM COc1ccc(CNC(=O)c2cc([O-])cs2)nc1 ZINC000774357976 575201146 /nfs/dbraw/zinc/20/11/46/575201146.db2.gz VPVYOJSHPTWIMK-UHFFFAOYSA-N -1 3 264.306 1.787 20 10 CDCDHM CCOc1ccc([C@H]2NC(=O)[C@@H]3CSCCN32)c([O-])c1 ZINC000765518342 576035530 /nfs/dbraw/zinc/03/55/30/576035530.db2.gz BEUZOGYQXZYULM-AAEUAGOBSA-N -1 3 294.376 1.337 20 10 CDCDHM O=C1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCN1 ZINC000768159418 576261463 /nfs/dbraw/zinc/26/14/63/576261463.db2.gz DVFRDBBLHREBRQ-UHFFFAOYSA-N -1 3 282.343 1.991 20 10 CDCDHM [O-]c1cc2c(cc1CN1CCSCC1)[C@H](O)CO2 ZINC000768439793 576282821 /nfs/dbraw/zinc/28/28/21/576282821.db2.gz NJGAPWJYIMNRSD-GFCCVEGCSA-N -1 3 267.350 1.367 20 10 CDCDHM Cc1ccc(C(=O)NCc2cccnn2)c([O-])c1O ZINC000768569764 576296394 /nfs/dbraw/zinc/29/63/94/576296394.db2.gz WFOHNKKMRSDRCL-UHFFFAOYSA-N -1 3 259.265 1.126 20 10 CDCDHM CCOc1ccc(CN2CCS(=O)(=O)CC2)c([O-])c1 ZINC000769316583 576345203 /nfs/dbraw/zinc/34/52/03/576345203.db2.gz IMMSFZNQRFNGSZ-UHFFFAOYSA-N -1 3 285.365 1.021 20 10 CDCDHM CCCNC(=O)CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756355036 576986999 /nfs/dbraw/zinc/98/69/99/576986999.db2.gz FYEQOMAISVAKPK-MRVPVSSYSA-N -1 3 272.295 1.847 20 10 CDCDHM C[C@H](N[C@@H]1CCCCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000756395912 576988631 /nfs/dbraw/zinc/98/86/31/576988631.db2.gz KWWJOJRLCXIEJF-QPUJVOFHSA-N -1 3 284.306 1.990 20 10 CDCDHM C[C@H]1C[C@H](NCc2nncn2C)c2c1c(F)ccc2[O-] ZINC000756403376 576989325 /nfs/dbraw/zinc/98/93/25/576989325.db2.gz XZYVRLDTXHZZJC-WPRPVWTQSA-N -1 3 276.315 1.998 20 10 CDCDHM O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cc([O-])cs1 ZINC000759098336 577152115 /nfs/dbraw/zinc/15/21/15/577152115.db2.gz CDAAWFXNNMISAV-MRVPVSSYSA-N -1 3 263.322 1.464 20 10 CDCDHM O=C([O-])CC1([NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000833205405 601561533 /nfs/dbraw/zinc/56/15/33/601561533.db2.gz DHKZZZCLNBVODK-UHFFFAOYSA-N -1 3 265.309 1.506 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](O)[C@@H](CO)C1 ZINC000840975636 617970536 /nfs/dbraw/zinc/97/05/36/617970536.db2.gz PMCOQUXYTNTMIQ-SKDRFNHKSA-N -1 3 289.734 1.360 20 10 CDCDHM COC(=O)[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893949977 618216505 /nfs/dbraw/zinc/21/65/05/618216505.db2.gz VMRSFUIDHIQKSL-QMMMGPOBSA-N -1 3 271.263 1.665 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000894535467 618946944 /nfs/dbraw/zinc/94/69/44/618946944.db2.gz UCOAGYDVHWYMIJ-RNCFNFMXSA-N -1 3 255.264 1.485 20 10 CDCDHM COC[C@@]1(CO)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894928068 619148482 /nfs/dbraw/zinc/14/84/82/619148482.db2.gz HOYLCJFDANSCIP-AWEZNQCLSA-N -1 3 287.306 1.501 20 10 CDCDHM C[C@H]([NH2+]CCCF)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960877 1173213088 /nfs/dbraw/zinc/21/30/88/1173213088.db2.gz JOHBRNYXJBLUSE-QMMMGPOBSA-N -1 3 265.292 1.583 20 10 CDCDHM Cc1ccc([C@@H](C)[NH2+]CCC(=O)NCCC(=O)[O-])c([O-])c1 ZINC001600371886 1174457210 /nfs/dbraw/zinc/45/72/10/1174457210.db2.gz HRRIPUVDOYYYRC-LLVKDONJSA-N -1 3 294.351 1.332 20 10 CDCDHM Nc1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000232428214 1178190786 /nfs/dbraw/zinc/19/07/86/1178190786.db2.gz OJCLHJKAUBTJEB-UHFFFAOYSA-N -1 3 258.277 1.610 20 10 CDCDHM C[C@H]([NH2+]CC(C)(C)CO)c1cc(C(=O)[O-])ccc1[O-] ZINC001609771159 1165073627 /nfs/dbraw/zinc/07/36/27/1165073627.db2.gz BZDUNADSBVZPLM-VIFPVBQESA-N -1 3 267.325 1.760 20 10 CDCDHM CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610142702 1165233980 /nfs/dbraw/zinc/23/39/80/1165233980.db2.gz QNXASGYXMHASPR-VIFPVBQESA-N -1 3 294.351 1.513 20 10 CDCDHM C[C@@H](NCCS(C)(=O)=O)c1c([O-])cccc1F ZINC000886518009 833289905 /nfs/dbraw/zinc/28/99/05/833289905.db2.gz ZTYOFKCVWNHMKU-MRVPVSSYSA-N -1 3 261.318 1.227 20 10 CDCDHM O=C(NCCCn1cccn1)c1cccc(O)c1[O-] ZINC000126537430 829799339 /nfs/dbraw/zinc/79/93/39/829799339.db2.gz NXIVVFYTJOFHPO-UHFFFAOYSA-N -1 3 261.281 1.114 20 10 CDCDHM O=C(NCc1ccccc1CO)c1cccc(O)c1[O-] ZINC000776669697 829997008 /nfs/dbraw/zinc/99/70/08/829997008.db2.gz RIFWBKXLAKBPLZ-UHFFFAOYSA-N -1 3 273.288 1.520 20 10 CDCDHM CCCNC(=O)CN[C@@H](C)c1c([O-])cccc1F ZINC000886491658 832075009 /nfs/dbraw/zinc/07/50/09/832075009.db2.gz KXZPIJYNKFKZLB-VIFPVBQESA-N -1 3 254.305 1.708 20 10 CDCDHM O=C(NOCc1cccnc1)c1cccc(O)c1[O-] ZINC000185878951 832097647 /nfs/dbraw/zinc/09/76/47/832097647.db2.gz MDAITOLUSMAFLD-UHFFFAOYSA-N -1 3 260.249 1.354 20 10 CDCDHM [O-]c1ccc(Cl)cc1CNCc1nnc2n1CCOC2 ZINC001343582598 901560995 /nfs/dbraw/zinc/56/09/95/901560995.db2.gz ADLUNGUKLGSSRR-UHFFFAOYSA-N -1 3 294.742 1.457 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN(c2cncnc2)CC1 ZINC001138129458 936476208 /nfs/dbraw/zinc/47/62/08/936476208.db2.gz DUDISFBBIPNCCQ-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM O=S(=O)([N-]Cc1ccc(O)cc1O)c1ccco1 ZINC001186877434 920199601 /nfs/dbraw/zinc/19/96/01/920199601.db2.gz RWYITYRFYLUWQJ-UHFFFAOYSA-N -1 3 269.278 1.169 20 10 CDCDHM O=C1COC[C@@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC001140342032 936703272 /nfs/dbraw/zinc/70/32/72/936703272.db2.gz PDEVIDKIUCWCFJ-JTQLQIEISA-N -1 3 296.754 1.089 20 10 CDCDHM CCOCCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000085204651 924277251 /nfs/dbraw/zinc/27/72/51/924277251.db2.gz SARFXAUCZOFDFV-UHFFFAOYSA-N -1 3 279.745 1.824 20 10 CDCDHM CC(C)(C)OC[C@@H](O)CNCC(=O)c1ccc([O-])c(O)c1 ZINC001253476073 930789590 /nfs/dbraw/zinc/78/95/90/930789590.db2.gz DINAETUQBZSXHD-NSHDSACASA-N -1 3 297.351 1.046 20 10 CDCDHM CN(Cc1ncccn1)C(=O)c1cccc(O)c1[O-] ZINC000718939528 931800879 /nfs/dbraw/zinc/80/08/79/931800879.db2.gz ZKQUBODWCSJFGN-UHFFFAOYSA-N -1 3 259.265 1.160 20 10 CDCDHM COc1nc(Cl)cc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001148213096 932669002 /nfs/dbraw/zinc/66/90/02/932669002.db2.gz UVWPIHPEYDDSFA-UHFFFAOYSA-N -1 3 295.682 1.802 20 10 CDCDHM O=C(Nc1noc2cccnc21)c1cc(O)c([O-])c(O)c1 ZINC001148581180 932750660 /nfs/dbraw/zinc/75/06/60/932750660.db2.gz OETFLAHQFMMDFV-UHFFFAOYSA-N -1 3 287.231 1.592 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)CCCO1 ZINC001148581150 932751215 /nfs/dbraw/zinc/75/12/15/932751215.db2.gz MLUMIIAKKHSFIU-MRVPVSSYSA-N -1 3 267.281 1.054 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCCC[C@H](O)C2)c([O-])c1 ZINC001231447480 942891369 /nfs/dbraw/zinc/89/13/69/942891369.db2.gz VHWRQJQVBRODGA-LBPRGKRZSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCCC[C@H](O)C2)c([O-])c1 ZINC001231447480 942891375 /nfs/dbraw/zinc/89/13/75/942891375.db2.gz VHWRQJQVBRODGA-LBPRGKRZSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@]23CCOC3)c([O-])c1 ZINC001231452497 942895819 /nfs/dbraw/zinc/89/58/19/942895819.db2.gz BCSPAJLXLSCZRS-AWEZNQCLSA-N -1 3 263.293 1.455 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@]23CCOC3)c([O-])c1 ZINC001231452497 942895822 /nfs/dbraw/zinc/89/58/22/942895822.db2.gz BCSPAJLXLSCZRS-AWEZNQCLSA-N -1 3 263.293 1.455 20 10 CDCDHM CCO[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453087 942896756 /nfs/dbraw/zinc/89/67/56/942896756.db2.gz BTDFVBFYZQOSPK-GFCCVEGCSA-N -1 3 265.309 1.701 20 10 CDCDHM CCO[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453087 942896760 /nfs/dbraw/zinc/89/67/60/942896760.db2.gz BTDFVBFYZQOSPK-GFCCVEGCSA-N -1 3 265.309 1.701 20 10 CDCDHM COC[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560305 942925841 /nfs/dbraw/zinc/92/58/41/942925841.db2.gz GDRVZRRQTFEEKU-JTQLQIEISA-N -1 3 265.309 1.559 20 10 CDCDHM COC[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560305 942925844 /nfs/dbraw/zinc/92/58/44/942925844.db2.gz GDRVZRRQTFEEKU-JTQLQIEISA-N -1 3 265.309 1.559 20 10 CDCDHM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)C[C@@H]1F ZINC001231561754 942928051 /nfs/dbraw/zinc/92/80/51/942928051.db2.gz YWZXHINKHSFWDQ-KCJUWKMLSA-N -1 3 253.273 1.880 20 10 CDCDHM [O-]c1cc(O)c(CN2C[C@H](F)C[C@H]2CO)cc1Cl ZINC001232260865 943192310 /nfs/dbraw/zinc/19/23/10/943192310.db2.gz SFRUYRLNMMKIMG-BDAKNGLRSA-N -1 3 275.707 1.656 20 10 CDCDHM COc1cc([O-])c(CN2CCN(C)CC2)c(Cl)c1 ZINC001236805218 944572990 /nfs/dbraw/zinc/57/29/90/944572990.db2.gz XNSOUWVOTOFHLY-UHFFFAOYSA-N -1 3 270.760 1.802 20 10 CDCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)cnn1C ZINC001303879288 956129334 /nfs/dbraw/zinc/12/93/34/956129334.db2.gz WGVRWTWSYNFBTL-UHFFFAOYSA-N -1 3 263.272 1.503 20 10 CDCDHM CC[C@@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1ccccc1[O-] ZINC001595298151 980413565 /nfs/dbraw/zinc/41/35/65/980413565.db2.gz AYBKIRBACIVYCZ-LLVKDONJSA-N -1 3 290.323 1.423 20 10 CDCDHM Cc1cc(Cl)cc(CN2CC(=O)N[C@@H](C)C2)c1[O-] ZINC000295134400 199364248 /nfs/dbraw/zinc/36/42/48/199364248.db2.gz YXVASPGQSYISEV-VIFPVBQESA-N -1 3 268.744 1.674 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCOC[C@@H](O)C2)c1[O-] ZINC000294923748 199251074 /nfs/dbraw/zinc/25/10/74/199251074.db2.gz YXEMGDWDURAIDV-LBPRGKRZSA-N -1 3 271.744 1.547 20 10 CDCDHM [O-]c1ccc(Br)cc1CN1CC(O)C1 ZINC000297516020 200215632 /nfs/dbraw/zinc/21/56/32/200215632.db2.gz WIMNZMJJUGUSOE-UHFFFAOYSA-N -1 3 258.115 1.331 20 10 CDCDHM C[C@@H]1C(=O)NCCN1Cc1cc(Br)ccc1[O-] ZINC000123386065 360283790 /nfs/dbraw/zinc/28/37/90/360283790.db2.gz INPBEMDCLDHEEJ-MRVPVSSYSA-N -1 3 299.168 1.475 20 10 CDCDHM COC(=O)C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272331412 365192723 /nfs/dbraw/zinc/19/27/23/365192723.db2.gz WOQUCHMGRKKGMN-UHFFFAOYSA-N -1 3 267.300 1.916 20 10 CDCDHM C[C@@H](N[C@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273378346 365491232 /nfs/dbraw/zinc/49/12/32/365491232.db2.gz HTRMRGKYHNBKHC-SKDRFNHKSA-N -1 3 293.323 1.620 20 10 CDCDHM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cccc(O)c1[O-] ZINC000282545354 367934856 /nfs/dbraw/zinc/93/48/56/367934856.db2.gz RWILNQWCNOCVMM-NSHDSACASA-N -1 3 287.319 1.639 20 10 CDCDHM CCOC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCO1 ZINC000529899927 368097403 /nfs/dbraw/zinc/09/74/03/368097403.db2.gz WQUMXYFCZZEFGG-LLVKDONJSA-N -1 3 295.335 1.284 20 10 CDCDHM CCc1nocc1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000294224512 371001793 /nfs/dbraw/zinc/00/17/93/371001793.db2.gz UMZWAWCJMKOMNV-UHFFFAOYSA-N -1 3 276.292 1.920 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000245893220 376304323 /nfs/dbraw/zinc/30/43/23/376304323.db2.gz CMVGZZHGYWMPBA-HUUCEWRRSA-N -1 3 281.327 1.911 20 10 CDCDHM CC(C)NC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109771316 390648742 /nfs/dbraw/zinc/64/87/42/390648742.db2.gz CAYLYHCIZPBIBG-NSHDSACASA-N -1 3 293.367 1.447 20 10 CDCDHM [O-]c1c(Cl)cc(Cl)cc1CN(CCO)CCCO ZINC000093323992 390901926 /nfs/dbraw/zinc/90/19/26/390901926.db2.gz FAWHAEYXVUAJSE-UHFFFAOYSA-N -1 3 294.178 1.876 20 10 CDCDHM Cc1ccc(C(=O)NCC[S@@](=O)C(C)(C)C)c([O-])c1O ZINC000177685570 391174739 /nfs/dbraw/zinc/17/47/39/391174739.db2.gz GOVHBBAUNKEAIJ-HXUWFJFHSA-N -1 3 299.392 1.683 20 10 CDCDHM Cc1ccc(C(=O)N(C)CC[C@H](C)O)c([O-])c1O ZINC000182549632 391237637 /nfs/dbraw/zinc/23/76/37/391237637.db2.gz HZOIIIOFHATLIB-VIFPVBQESA-N -1 3 253.298 1.249 20 10 CDCDHM COCCN(CC(=O)OC)Cc1ccccc1[O-] ZINC000179575330 391211415 /nfs/dbraw/zinc/21/14/15/391211415.db2.gz MSTWGVPKPIBZGR-UHFFFAOYSA-N -1 3 253.298 1.014 20 10 CDCDHM CC(C)NC(=O)CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191187778 391324966 /nfs/dbraw/zinc/32/49/66/391324966.db2.gz PWWPRRPSCDNCTF-MRVPVSSYSA-N -1 3 272.295 1.846 20 10 CDCDHM CCOc1cccc(C[N@H+](C)CCC(=O)[O-])c1[O-] ZINC000077253449 177241900 /nfs/dbraw/zinc/24/19/00/177241900.db2.gz BAOKTGYRMAYMET-UHFFFAOYSA-N -1 3 253.298 1.697 20 10 CDCDHM CCOc1cccc(C[N@@H+](C)CCC(=O)[O-])c1[O-] ZINC000077253449 177241902 /nfs/dbraw/zinc/24/19/02/177241902.db2.gz BAOKTGYRMAYMET-UHFFFAOYSA-N -1 3 253.298 1.697 20 10 CDCDHM CN(C[C@H]1CCCCO1)C(=O)c1cccc(O)c1[O-] ZINC000126286220 260349150 /nfs/dbraw/zinc/34/91/50/260349150.db2.gz AAADDCMNMHRHCZ-SNVBAGLBSA-N -1 3 265.309 1.739 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCN(C2CCCC2)CC1 ZINC000126382744 260349992 /nfs/dbraw/zinc/34/99/92/260349992.db2.gz MZERUGDQABQJSU-UHFFFAOYSA-N -1 3 290.363 1.798 20 10 CDCDHM O=C(N[C@@H]1CCCCC[C@H]1O)c1cccc(O)c1[O-] ZINC000126526405 260352502 /nfs/dbraw/zinc/35/25/02/260352502.db2.gz ZKASFQLHKGHNAM-GHMZBOCLSA-N -1 3 265.309 1.521 20 10 CDCDHM COCC[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179468980 261789478 /nfs/dbraw/zinc/78/94/78/261789478.db2.gz LRGAAXQAQYBLCL-VIFPVBQESA-N -1 3 253.298 1.561 20 10 CDCDHM CCS(=O)(=O)CCN[C@@H](C)c1ccc(F)cc1[O-] ZINC000185330812 262050989 /nfs/dbraw/zinc/05/09/89/262050989.db2.gz KPVFILIAUXVLQB-VIFPVBQESA-N -1 3 275.345 1.617 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1c1ncon1 ZINC000369841351 267271013 /nfs/dbraw/zinc/27/10/13/267271013.db2.gz QHRBPQBFISYZEA-LLVKDONJSA-N -1 3 279.271 1.488 20 10 CDCDHM Cc1ccc(C(=O)N2CC[S@@](=O)C[C@H](C)C2)c([O-])c1O ZINC000277706825 328222121 /nfs/dbraw/zinc/22/21/21/328222121.db2.gz WIZQNIPURYXVHU-GSDQLPOLSA-N -1 3 297.376 1.247 20 10 CDCDHM O=S1(=O)CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000219780772 329174356 /nfs/dbraw/zinc/17/43/56/329174356.db2.gz VCLYHPGJXLRNFN-UHFFFAOYSA-N -1 3 289.784 1.666 20 10 CDCDHM COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC000188612065 329371304 /nfs/dbraw/zinc/37/13/04/329371304.db2.gz UOECOFYSRYGQQA-WDEREUQCSA-N -1 3 285.727 1.154 20 10 CDCDHM COC[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278270165 522220246 /nfs/dbraw/zinc/22/02/46/522220246.db2.gz ROPIDIPYZRSYPE-SECBINFHSA-N -1 3 284.312 1.776 20 10 CDCDHM COc1c([O-])c(CN(C)Cc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000278142097 521871776 /nfs/dbraw/zinc/87/17/76/521871776.db2.gz BDXMGLGQSFGJHZ-UHFFFAOYSA-N -1 3 293.283 1.059 20 10 CDCDHM COc1c([O-])c(CN(C)Cc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000278142097 521871785 /nfs/dbraw/zinc/87/17/85/521871785.db2.gz BDXMGLGQSFGJHZ-UHFFFAOYSA-N -1 3 293.283 1.059 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2COC[C@@H]2OC)c1 ZINC000290237412 522139578 /nfs/dbraw/zinc/13/95/78/522139578.db2.gz SIEYAGNIRJMYIO-WFBYXXMGSA-N -1 3 295.335 1.243 20 10 CDCDHM COC(=O)CCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000126342686 523009282 /nfs/dbraw/zinc/00/92/82/523009282.db2.gz JXAGQTRPRXDNIR-UHFFFAOYSA-N -1 3 267.281 1.123 20 10 CDCDHM O=C([O-])[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1[O-] ZINC001601640063 1174922337 /nfs/dbraw/zinc/92/23/37/1174922337.db2.gz HPOWRCYRXKXHMP-QMMMGPOBSA-N -1 3 263.215 1.887 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)NCC(F)(F)F ZINC000731910699 575070298 /nfs/dbraw/zinc/07/02/98/575070298.db2.gz ASKZARRDHSMLBU-UHFFFAOYSA-N -1 3 283.227 1.289 20 10 CDCDHM O=C(NCc1nccn1C(F)F)c1cc([O-])cs1 ZINC000732278034 575086104 /nfs/dbraw/zinc/08/61/04/575086104.db2.gz CAUVWXQFOUDSBH-UHFFFAOYSA-N -1 3 273.264 1.975 20 10 CDCDHM O=C(N[C@H]1CCN(C2CC2)C1)c1cc([O-])cs1 ZINC000732278168 575086126 /nfs/dbraw/zinc/08/61/26/575086126.db2.gz VFRHVWBOJXSHLH-QMMMGPOBSA-N -1 3 252.339 1.420 20 10 CDCDHM COc1cccc([O-])c1CN1CCn2ncnc2C1 ZINC000770664455 575483364 /nfs/dbraw/zinc/48/33/64/575483364.db2.gz OPRKPBLYROCLGJ-UHFFFAOYSA-N -1 3 260.297 1.008 20 10 CDCDHM O=C([O-])[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000739583570 576261230 /nfs/dbraw/zinc/26/12/30/576261230.db2.gz UVABOJXNHIJFRV-SECBINFHSA-N -1 3 279.292 1.418 20 10 CDCDHM O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000739583570 576261231 /nfs/dbraw/zinc/26/12/31/576261231.db2.gz UVABOJXNHIJFRV-SECBINFHSA-N -1 3 279.292 1.418 20 10 CDCDHM CN(Cc1cnn(C)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438532 576282760 /nfs/dbraw/zinc/28/27/60/576282760.db2.gz BGKJSIMMDIKIJR-CQSZACIVSA-N -1 3 289.335 1.184 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)[C@]2(CO)CCOC2)c1[O-] ZINC000763882452 576762834 /nfs/dbraw/zinc/76/28/34/576762834.db2.gz UFAKTNSAUQGOJA-HNNXBMFYSA-N -1 3 297.326 1.317 20 10 CDCDHM O=C(OCC[C@@H]1CCOC1=O)c1cc([O-])cs1 ZINC000754094215 576879426 /nfs/dbraw/zinc/87/94/26/576879426.db2.gz FKXXISGVCQXTPM-ZETCQYMHSA-N -1 3 256.279 1.564 20 10 CDCDHM CN1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000748242830 576902737 /nfs/dbraw/zinc/90/27/37/576902737.db2.gz SBJNPWFOYHVADP-LLVKDONJSA-N -1 3 279.296 1.011 20 10 CDCDHM CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc([O-])cs1 ZINC000755329578 576940303 /nfs/dbraw/zinc/94/03/03/576940303.db2.gz VOECQLRRGIPSKY-PSASIEDQSA-N -1 3 255.339 1.687 20 10 CDCDHM C[C@H](NCc1nnnn1C1CC1)c1ccc(F)cc1[O-] ZINC000756732865 577002211 /nfs/dbraw/zinc/00/22/11/577002211.db2.gz NPZNUNSAPORFAR-QMMMGPOBSA-N -1 3 277.303 1.704 20 10 CDCDHM O=C(CCN1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC000890757888 617320457 /nfs/dbraw/zinc/32/04/57/617320457.db2.gz LXCWGPSQENUUIU-UHFFFAOYSA-N -1 3 298.770 1.384 20 10 CDCDHM O=C1CCCN1[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894545974 618954914 /nfs/dbraw/zinc/95/49/14/618954914.db2.gz ZEKPSQNAARRXJA-GFCCVEGCSA-N -1 3 296.317 1.867 20 10 CDCDHM COC(=O)[C@H]1[C@@H]2CN(Cc3cc(F)cc(F)c3[O-])C[C@@H]21 ZINC000894842164 619091890 /nfs/dbraw/zinc/09/18/90/619091890.db2.gz QRJCBQUALAEFPF-IAZYJMLFSA-N -1 3 283.274 1.521 20 10 CDCDHM CCc1cccc(CN2CC[C@@](F)(C(=O)[O-])C2)c1O ZINC001605829121 1163678630 /nfs/dbraw/zinc/67/86/30/1163678630.db2.gz YUBLAEGRGGFJQK-AWEZNQCLSA-N -1 3 267.300 1.953 20 10 CDCDHM Oc1cccc(F)c1CNc1cc(-c2nnn[n-]2)cnn1 ZINC001593540434 1174111661 /nfs/dbraw/zinc/11/16/61/1174111661.db2.gz VJKWCIAGZLGFKJ-UHFFFAOYSA-N -1 3 287.258 1.114 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000792180838 837742660 /nfs/dbraw/zinc/74/26/60/837742660.db2.gz VHXTZQKAXRPFHV-OQPBUACISA-N -1 3 271.719 1.999 20 10 CDCDHM COC(=O)N1CC(NCc2c([O-])ccc(Cl)c2F)C1 ZINC000790978138 835803599 /nfs/dbraw/zinc/80/35/99/835803599.db2.gz YZZTTWIYKKZUHI-UHFFFAOYSA-N -1 3 288.706 1.725 20 10 CDCDHM CN(C)c1cccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000189563603 835870555 /nfs/dbraw/zinc/87/05/55/835870555.db2.gz LBKNAPICTGFZSD-UHFFFAOYSA-N -1 3 273.292 1.811 20 10 CDCDHM CCOC(=O)c1ncc(NC(=O)C2=CC(=O)CS2)[n-]1 ZINC000807398089 835884120 /nfs/dbraw/zinc/88/41/20/835884120.db2.gz JSDRHGNHWMJQKY-UHFFFAOYSA-N -1 3 281.293 1.606 20 10 CDCDHM O=C(Nc1cnn(-c2ccccn2)c1)c1cccc(O)c1[O-] ZINC000790768566 836016922 /nfs/dbraw/zinc/01/69/22/836016922.db2.gz TUASFTWDFCCOOP-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM CN(CCn1cccn1)C(=O)c1cccc(O)c1[O-] ZINC000187086170 836058268 /nfs/dbraw/zinc/05/82/68/836058268.db2.gz RVWQSTDLZNAURP-UHFFFAOYSA-N -1 3 261.281 1.067 20 10 CDCDHM Cc1nocc1S(=O)(=O)[N-][C@H](C)c1ccccc1O ZINC000867834756 836506015 /nfs/dbraw/zinc/50/60/15/836506015.db2.gz MGSFPSYBVDZWRO-MRVPVSSYSA-N -1 3 282.321 1.728 20 10 CDCDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])c(O)c1 ZINC000794381689 836840345 /nfs/dbraw/zinc/84/03/45/836840345.db2.gz RACANYMMFMIFSO-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM CNC(=O)N1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824870837 836897390 /nfs/dbraw/zinc/89/73/90/836897390.db2.gz XRCXLTBZGHQHCO-UHFFFAOYSA-N -1 3 297.786 1.811 20 10 CDCDHM CN(CC1CCOCC1)C(=O)c1cccc(O)c1[O-] ZINC000126419074 838002828 /nfs/dbraw/zinc/00/28/28/838002828.db2.gz BMIUXHCCUJMKCW-UHFFFAOYSA-N -1 3 265.309 1.596 20 10 CDCDHM C[C@H]1CSC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000397945001 839231570 /nfs/dbraw/zinc/23/15/70/839231570.db2.gz SHAWOOHVMQAYJQ-CBAPKCEASA-N -1 3 253.323 1.579 20 10 CDCDHM COC(=O)C1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000126735574 841054051 /nfs/dbraw/zinc/05/40/51/841054051.db2.gz AUOOJRXEZJTKCF-UHFFFAOYSA-N -1 3 293.319 1.559 20 10 CDCDHM C[C@@H]1SCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000310454735 841317190 /nfs/dbraw/zinc/31/71/90/841317190.db2.gz CONJKHWLVGKLLO-IONNQARKSA-N -1 3 253.323 1.722 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@H](C)C2)c1[O-] ZINC000249146475 841509950 /nfs/dbraw/zinc/50/99/50/841509950.db2.gz UPCIOPBHEKNMAY-YMTOWFKASA-N -1 3 281.327 1.937 20 10 CDCDHM CC(C)OC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000825314967 842553814 /nfs/dbraw/zinc/55/38/14/842553814.db2.gz WNBJBKMJPHSSEL-UHFFFAOYSA-N -1 3 251.282 1.347 20 10 CDCDHM CN(C)C1(C)CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583573 936727949 /nfs/dbraw/zinc/72/79/49/936727949.db2.gz LRIXFUFCSQEQLF-UHFFFAOYSA-N -1 3 256.296 1.806 20 10 CDCDHM O=S(=O)(NCc1ccc(O)c(O)c1)c1ccc([O-])cc1 ZINC001195825373 924749260 /nfs/dbraw/zinc/74/92/60/924749260.db2.gz QONWRDZASGKWDC-UHFFFAOYSA-N -1 3 295.316 1.282 20 10 CDCDHM CCOc1cnc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001148211904 932667023 /nfs/dbraw/zinc/66/70/23/932667023.db2.gz BQSUDCKSJXZEJP-UHFFFAOYSA-N -1 3 275.264 1.539 20 10 CDCDHM CC(=O)Nc1cc(NC(=O)c2cccc(O)c2[O-])ccn1 ZINC001148211871 932667115 /nfs/dbraw/zinc/66/71/15/932667115.db2.gz AFPWYAOTUKLCPL-UHFFFAOYSA-N -1 3 287.275 1.704 20 10 CDCDHM CC(C)(NC(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001148586870 932752748 /nfs/dbraw/zinc/75/27/48/932752748.db2.gz XUHRXUKZEMUCCB-UHFFFAOYSA-N -1 3 251.282 1.722 20 10 CDCDHM CC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC001203665248 939700007 /nfs/dbraw/zinc/70/00/07/939700007.db2.gz DPYGMYFRXHTQLK-ZDUSSCGKSA-N -1 3 269.728 1.835 20 10 CDCDHM C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1CO ZINC001231447465 942894783 /nfs/dbraw/zinc/89/47/83/942894783.db2.gz UXLQJTPJFFGGDA-MFKMUULPSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1CO ZINC001231447465 942894786 /nfs/dbraw/zinc/89/47/86/942894786.db2.gz UXLQJTPJFFGGDA-MFKMUULPSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455865 942898017 /nfs/dbraw/zinc/89/80/17/942898017.db2.gz VRHLMBXDRHOLNB-BXKDBHETSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455865 942898024 /nfs/dbraw/zinc/89/80/24/942898024.db2.gz VRHLMBXDRHOLNB-BXKDBHETSA-N -1 3 265.309 1.436 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](CO)[C@H](O)C1 ZINC001231910984 943050680 /nfs/dbraw/zinc/05/06/80/943050680.db2.gz XOOTZAWVPFMKFT-CMPLNLGQSA-N -1 3 271.744 1.221 20 10 CDCDHM CC(=O)N(C)[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336020 943548764 /nfs/dbraw/zinc/54/87/64/943548764.db2.gz VLHJXQGBOUWKIO-SNVBAGLBSA-N -1 3 284.306 1.723 20 10 CDCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H](CO)[C@H](O)C1 ZINC001237933596 945006968 /nfs/dbraw/zinc/00/69/68/945006968.db2.gz DORMZNVDLNOWNF-ISVAXAHUSA-N -1 3 289.734 1.360 20 10 CDCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H](CO)[C@@H](O)C1 ZINC001237933598 945007480 /nfs/dbraw/zinc/00/74/80/945007480.db2.gz DORMZNVDLNOWNF-SDBXPKJASA-N -1 3 289.734 1.360 20 10 CDCDHM CN(CCNS(C)(=O)=O)Cc1c([O-])cccc1Cl ZINC001324746843 953556179 /nfs/dbraw/zinc/55/61/79/953556179.db2.gz OJPQLPDMFBTVRQ-UHFFFAOYSA-N -1 3 292.788 1.027 20 10 CDCDHM COc1cc(Cl)cc(C[N@H+](C)CC(=O)[O-])c1[O-] ZINC000128619817 958669543 /nfs/dbraw/zinc/66/95/43/958669543.db2.gz MOBZLIOXBAEKRV-UHFFFAOYSA-N -1 3 259.689 1.571 20 10 CDCDHM COc1cc(Cl)cc(C[N@@H+](C)CC(=O)[O-])c1[O-] ZINC000128619817 958669550 /nfs/dbraw/zinc/66/95/50/958669550.db2.gz MOBZLIOXBAEKRV-UHFFFAOYSA-N -1 3 259.689 1.571 20 10 CDCDHM CC[C@@H](C[NH2+]Cc1c(C)cc(OC)cc1[O-])C(=O)[O-] ZINC001573805049 960849168 /nfs/dbraw/zinc/84/91/68/960849168.db2.gz DQNCTLBGNPLYOO-JTQLQIEISA-N -1 3 267.325 1.910 20 10 CDCDHM CC(C)OC(=O)C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC001351916751 967029030 /nfs/dbraw/zinc/02/90/30/967029030.db2.gz YQINWTZFBWVVST-UHFFFAOYSA-N -1 3 281.308 1.558 20 10 CDCDHM CN1CCO[C@H]2CN(Cc3cccc(Cl)c3[O-])C[C@@H]21 ZINC000775717271 970101794 /nfs/dbraw/zinc/10/17/94/970101794.db2.gz NXROFECCCZTXOH-STQMWFEESA-N -1 3 282.771 1.560 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001604870820 974118299 /nfs/dbraw/zinc/11/82/99/974118299.db2.gz BVGSBYANRIDCEH-QWRGUYRKSA-N -1 3 279.336 1.943 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001604870820 974118304 /nfs/dbraw/zinc/11/83/04/974118304.db2.gz BVGSBYANRIDCEH-QWRGUYRKSA-N -1 3 279.336 1.943 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001599680292 994968728 /nfs/dbraw/zinc/96/87/28/994968728.db2.gz KAGDXFIIROBCDT-ZJUUUORDSA-N -1 3 265.309 1.696 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001599680292 994968741 /nfs/dbraw/zinc/96/87/41/994968741.db2.gz KAGDXFIIROBCDT-ZJUUUORDSA-N -1 3 265.309 1.696 20 10 CDCDHM COCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605080202 1163445392 /nfs/dbraw/zinc/44/53/92/1163445392.db2.gz WSYWFGLONDFYSQ-VHSXEESVSA-N -1 3 291.355 1.648 20 10 CDCDHM COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599248917 998195255 /nfs/dbraw/zinc/19/52/55/998195255.db2.gz ACNPNDIFBDOXKR-GHMZBOCLSA-N -1 3 297.351 1.793 20 10 CDCDHM CN(C(=O)/C=C/c1cncc([O-])c1)c1cccnc1 ZINC000182010629 342533559 /nfs/dbraw/zinc/53/35/59/342533559.db2.gz XEIOTEBWWMDOKM-SNAWJCMRSA-N -1 3 255.277 1.858 20 10 CDCDHM CC(C)CN1CC(=O)N[C@H]1c1cc(F)ccc1[O-] ZINC000077474845 342328961 /nfs/dbraw/zinc/32/89/61/342328961.db2.gz DJVWDLASWOTCSQ-CYBMUJFWSA-N -1 3 252.289 1.618 20 10 CDCDHM O=C(NCCN1CC=CCC1)c1cccc(O)c1[O-] ZINC000279906175 363346188 /nfs/dbraw/zinc/34/61/88/363346188.db2.gz FDIYBWQTIRRXRR-UHFFFAOYSA-N -1 3 262.309 1.090 20 10 CDCDHM O=C(/C=C\c1cncc([O-])c1)N1CCn2nccc21 ZINC000492969047 366187577 /nfs/dbraw/zinc/18/75/77/366187577.db2.gz ACWZHBJGOUDOAA-UPHRSURJSA-N -1 3 256.265 1.044 20 10 CDCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])[C@@H](C)CO ZINC000294330251 199001317 /nfs/dbraw/zinc/00/13/17/199001317.db2.gz UMULZMBSDWAIEF-VIFPVBQESA-N -1 3 253.298 1.249 20 10 CDCDHM C[C@@H](NCc1cnnn1C)c1ccc(F)cc1[O-] ZINC000287301402 359330504 /nfs/dbraw/zinc/33/05/04/359330504.db2.gz KPUMKCVXKHLYAH-MRVPVSSYSA-N -1 3 250.277 1.511 20 10 CDCDHM O=S1(=O)CC[C@@H](NCc2cccc(Cl)c2[O-])C1 ZINC000124500316 360373987 /nfs/dbraw/zinc/37/39/87/360373987.db2.gz BGCWGJWSGKQVSW-SECBINFHSA-N -1 3 275.757 1.322 20 10 CDCDHM COCCn1nnc2c1CCN(Cc1ccccc1[O-])C2 ZINC000293695354 370751775 /nfs/dbraw/zinc/75/17/75/370751775.db2.gz RBRJTZKVIKZOMV-UHFFFAOYSA-N -1 3 288.351 1.188 20 10 CDCDHM COC(=O)[C@@]1(F)CCN(Cc2cc(F)ccc2[O-])C1 ZINC000272378057 365212485 /nfs/dbraw/zinc/21/24/85/365212485.db2.gz HIZUSIGOSAFKFW-CYBMUJFWSA-N -1 3 271.263 1.618 20 10 CDCDHM CO[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000272758278 365382910 /nfs/dbraw/zinc/38/29/10/365382910.db2.gz PSUMZHDFQDQQDE-LLVKDONJSA-N -1 3 267.325 1.807 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](C)C2)c([O-])c1O ZINC000272962139 365460906 /nfs/dbraw/zinc/46/09/06/365460906.db2.gz JSUIOFLQRYRPSV-ZJUUUORDSA-N -1 3 265.309 1.704 20 10 CDCDHM CCCCN(Cc1nnn(C)n1)Cc1ccccc1[O-] ZINC000282508047 367920975 /nfs/dbraw/zinc/92/09/75/367920975.db2.gz ROVPIBILAPYHIE-UHFFFAOYSA-N -1 3 275.356 1.718 20 10 CDCDHM Cc1nc(CCN(C)C(=O)c2cccc(O)c2[O-])no1 ZINC000286103782 368694441 /nfs/dbraw/zinc/69/44/41/368694441.db2.gz APYXVCBEISHLAD-UHFFFAOYSA-N -1 3 277.280 1.104 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]([C@H]2CCOC2)C1 ZINC000375694630 370914583 /nfs/dbraw/zinc/91/45/83/370914583.db2.gz YLHBDDXDNUAPOU-QWRGUYRKSA-N -1 3 277.320 1.596 20 10 CDCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1ncon1 ZINC000287061712 369075954 /nfs/dbraw/zinc/07/59/54/369075954.db2.gz MDEVOKHVYGZMBI-JTQLQIEISA-N -1 3 277.280 1.608 20 10 CDCDHM Cn1nncc1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000288486942 369456703 /nfs/dbraw/zinc/45/67/03/369456703.db2.gz QNQDLDRQHUQOGD-UHFFFAOYSA-N -1 3 297.702 1.372 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCCN(C=O)CC2)c1[O-] ZINC000294310997 371045231 /nfs/dbraw/zinc/04/52/31/371045231.db2.gz VUSRMYGTRKGCBC-UHFFFAOYSA-N -1 3 294.326 1.398 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(CF)CC1 ZINC000295536074 371330297 /nfs/dbraw/zinc/33/02/97/371330297.db2.gz CFMUMAZGIBZCLD-UHFFFAOYSA-N -1 3 253.273 1.920 20 10 CDCDHM CN(CC(C)(C)CO)C(=O)c1cccc(O)c1[O-] ZINC000295777639 371450073 /nfs/dbraw/zinc/45/00/73/371450073.db2.gz DDCTYADJKFRBON-UHFFFAOYSA-N -1 3 253.298 1.188 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)C(C)(C)C(N)=O)c1[O-] ZINC000295808103 371465888 /nfs/dbraw/zinc/46/58/88/371465888.db2.gz WQMQECAFSYFIJW-UHFFFAOYSA-N -1 3 282.315 1.430 20 10 CDCDHM C[C@@H](C(=O)NC(=O)NC1CC1)N(C)Cc1ccccc1[O-] ZINC000109773070 390648553 /nfs/dbraw/zinc/64/85/53/390648553.db2.gz HUEKRBXAMFCSLX-JTQLQIEISA-N -1 3 291.351 1.201 20 10 CDCDHM C[C@H](O)C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000131651791 390929048 /nfs/dbraw/zinc/92/90/48/390929048.db2.gz XGMJEDSCVACEDZ-JTQLQIEISA-N -1 3 298.770 1.071 20 10 CDCDHM C[C@@H](CO)CCCNC(=O)c1cccc(O)c1[O-] ZINC000229416827 391117526 /nfs/dbraw/zinc/11/75/26/391117526.db2.gz OCODOHXLUGAJIO-SECBINFHSA-N -1 3 253.298 1.236 20 10 CDCDHM Cc1ccc(C(=O)NCCCOC(C)C)c([O-])c1O ZINC000181771635 391226915 /nfs/dbraw/zinc/22/69/15/391226915.db2.gz FGZJLDWAJCFFJS-UHFFFAOYSA-N -1 3 267.325 1.951 20 10 CDCDHM Cc1ccc(C(=O)N2CCCO[C@H](C)C2)c([O-])c1O ZINC000182312459 391233021 /nfs/dbraw/zinc/23/30/21/391233021.db2.gz XHGVEBYHKOQBPP-SNVBAGLBSA-N -1 3 265.309 1.657 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H](C)C[C@@H](C)O)c([O-])c1O ZINC000179512736 391208275 /nfs/dbraw/zinc/20/82/75/391208275.db2.gz LSUBQQJLDUBVKJ-PSASIEDQSA-N -1 3 267.325 1.543 20 10 CDCDHM C[C@H]([C@H](C)N(C)Cc1ccccc1[O-])S(C)(=O)=O ZINC000179575579 391212065 /nfs/dbraw/zinc/21/20/65/391212065.db2.gz JXYBWWVDSSJGOM-WDEREUQCSA-N -1 3 271.382 1.646 20 10 CDCDHM COc1ccc([O-])c([C@H](C)[NH2+]CCCC(=O)[O-])c1 ZINC000037418222 173195629 /nfs/dbraw/zinc/19/56/29/173195629.db2.gz SKVFYPAGTMYDDH-VIFPVBQESA-N -1 3 253.298 1.916 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCCN(C)CC2)c1[O-] ZINC000037322862 260087839 /nfs/dbraw/zinc/08/78/39/260087839.db2.gz HXIFOKISHRRYSI-UHFFFAOYSA-N -1 3 280.343 1.871 20 10 CDCDHM C[C@H](O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126643010 260355560 /nfs/dbraw/zinc/35/55/60/260355560.db2.gz LIXMVTLWSSZPFX-UWVGGRQHSA-N -1 3 265.309 1.473 20 10 CDCDHM O=C(CNCc1cccc(Cl)c1[O-])NC1CC1 ZINC000158692975 261169499 /nfs/dbraw/zinc/16/94/99/261169499.db2.gz JWPQYZMIYPHOIS-UHFFFAOYSA-N -1 3 254.717 1.414 20 10 CDCDHM COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cc(Cl)ccc1[O-] ZINC000188783161 329372004 /nfs/dbraw/zinc/37/20/04/329372004.db2.gz YEKGVQVSGXHVRO-STQMWFEESA-N -1 3 299.754 1.544 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2nncn2C)c1[O-] ZINC000275255719 518286392 /nfs/dbraw/zinc/28/63/92/518286392.db2.gz ZDTCFJGOTRBLRK-MRVPVSSYSA-N -1 3 292.314 1.713 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@H](C(N)=O)C(C)(C)C)c1[O-] ZINC000079473604 518286585 /nfs/dbraw/zinc/28/65/85/518286585.db2.gz CZYGRJXTFLCPPB-CYBMUJFWSA-N -1 3 296.342 1.724 20 10 CDCDHM CCC(CC)(CNC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000279763877 521438234 /nfs/dbraw/zinc/43/82/34/521438234.db2.gz FJARQVYBZLKWEL-UHFFFAOYSA-N -1 3 295.335 1.807 20 10 CDCDHM C[C@@H](CN1CCCCC1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000276499061 524604646 /nfs/dbraw/zinc/60/46/46/524604646.db2.gz BVZMQDBJONVOEY-JTQLQIEISA-N -1 3 296.342 1.841 20 10 CDCDHM CS(=O)(=O)Nc1ccc([O-])cc1Br ZINC000095719959 525220862 /nfs/dbraw/zinc/22/08/62/525220862.db2.gz ACHPNWYSGPOGMX-UHFFFAOYSA-N -1 3 266.116 1.526 20 10 CDCDHM O=C(CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])NC1CC1 ZINC000263683396 526882499 /nfs/dbraw/zinc/88/24/99/526882499.db2.gz NBHMZRXVMFDIAO-UHFFFAOYSA-N -1 3 299.714 1.322 20 10 CDCDHM CN(Cc1c([O-])cccc1Cl)[C@H]1CCNC1=O ZINC000770381711 575443974 /nfs/dbraw/zinc/44/39/74/575443974.db2.gz PIXVYZOBWXODCJ-JTQLQIEISA-N -1 3 254.717 1.366 20 10 CDCDHM Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)on1 ZINC000731911981 575070376 /nfs/dbraw/zinc/07/03/76/575070376.db2.gz PEYBILFFZGQWKP-ZETCQYMHSA-N -1 3 296.304 1.934 20 10 CDCDHM CN(CC(=O)Nc1ccon1)Cc1ccccc1[O-] ZINC000732202692 575083350 /nfs/dbraw/zinc/08/33/50/575083350.db2.gz CMBRZRQKARFBGS-UHFFFAOYSA-N -1 3 261.281 1.451 20 10 CDCDHM O=C(NC1CCN(C(=O)c2cc([O-])cs2)CC1)C1CC1 ZINC000732271435 575085339 /nfs/dbraw/zinc/08/53/39/575085339.db2.gz XDERLXDAEOKPHO-UHFFFAOYSA-N -1 3 294.376 1.585 20 10 CDCDHM O=C(NCCCCn1ccnc1)c1cc([O-])cs1 ZINC000732276188 575085898 /nfs/dbraw/zinc/08/58/98/575085898.db2.gz WEOZGZRIEJUUDS-UHFFFAOYSA-N -1 3 265.338 1.860 20 10 CDCDHM CCOCCN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732293018 575087335 /nfs/dbraw/zinc/08/73/35/575087335.db2.gz XDXYJPRHNSQWEQ-UHFFFAOYSA-N -1 3 284.381 1.248 20 10 CDCDHM NC(=O)c1cccc(COC(=O)c2cc([O-])cs2)c1 ZINC000732354178 575088120 /nfs/dbraw/zinc/08/81/20/575088120.db2.gz GEGHUKNFOBWOCP-UHFFFAOYSA-N -1 3 277.301 1.910 20 10 CDCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ncccn1 ZINC000732354807 575088140 /nfs/dbraw/zinc/08/81/40/575088140.db2.gz RWBVAYUQPBVNPZ-SSDOTTSWSA-N -1 3 293.304 1.428 20 10 CDCDHM CC(C)c1nncn1CCNC(=O)c1cc([O-])cs1 ZINC000745999186 576749990 /nfs/dbraw/zinc/74/99/90/576749990.db2.gz WEQNNIZIRMCLLE-UHFFFAOYSA-N -1 3 280.353 1.599 20 10 CDCDHM CCC[C@H]1C(=O)NCCN1Cc1ccc(OCC)cc1[O-] ZINC000769514927 575354994 /nfs/dbraw/zinc/35/49/94/575354994.db2.gz MKFXMKOJSVQFIE-AWEZNQCLSA-N -1 3 292.379 1.891 20 10 CDCDHM Cc1nccn1CCOC(=O)c1cc([O-])cs1 ZINC000771957403 575641835 /nfs/dbraw/zinc/64/18/35/575641835.db2.gz HSYQDTSOBSTJSK-UHFFFAOYSA-N -1 3 252.295 1.816 20 10 CDCDHM COc1cccc([O-])c1CN(C)CC(=O)NC(C)C ZINC000768204019 576264359 /nfs/dbraw/zinc/26/43/59/576264359.db2.gz OBQZLIXPTZSXQK-UHFFFAOYSA-N -1 3 266.341 1.357 20 10 CDCDHM CC(C)(C)[C@H](NC(=O)c1cc([O-])cs1)C(N)=O ZINC000769229373 576339285 /nfs/dbraw/zinc/33/92/85/576339285.db2.gz CCIPIIRSRWMMIV-MRVPVSSYSA-N -1 3 256.327 1.084 20 10 CDCDHM O=C(NCCCOC[C@H]1CCOC1)c1cc([O-])cs1 ZINC000740928994 576524103 /nfs/dbraw/zinc/52/41/03/576524103.db2.gz WLRIOBYOJLZRMN-SNVBAGLBSA-N -1 3 285.365 1.627 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)[C@H]1CCOC1 ZINC000762894184 576688969 /nfs/dbraw/zinc/68/89/69/576688969.db2.gz VFVXKPJQLVKFFZ-ZETCQYMHSA-N -1 3 256.279 1.216 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC(OCC(F)F)C1 ZINC000748424586 576912277 /nfs/dbraw/zinc/91/22/77/576912277.db2.gz YUEKEWJNGWXQGW-UHFFFAOYSA-N -1 3 263.265 1.560 20 10 CDCDHM O=C(OCCCN1CCOCC1)c1cc([O-])cs1 ZINC000750889223 577013093 /nfs/dbraw/zinc/01/30/93/577013093.db2.gz ZBEUVVOOJYIEBM-UHFFFAOYSA-N -1 3 271.338 1.333 20 10 CDCDHM COCCc1noc(CN(C)C(=O)c2cc([O-])cs2)n1 ZINC000759099114 577152241 /nfs/dbraw/zinc/15/22/41/577152241.db2.gz REZLITGXWRGWAD-UHFFFAOYSA-N -1 3 297.336 1.298 20 10 CDCDHM O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1C1CC1 ZINC000901901741 618352021 /nfs/dbraw/zinc/35/20/21/618352021.db2.gz AZEISFPRJDIDSZ-QWHCGFSZSA-N -1 3 261.321 1.935 20 10 CDCDHM O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1C1CC1 ZINC000901901741 618352028 /nfs/dbraw/zinc/35/20/28/618352028.db2.gz AZEISFPRJDIDSZ-QWHCGFSZSA-N -1 3 261.321 1.935 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@H]1O ZINC000894497752 618917640 /nfs/dbraw/zinc/91/76/40/618917640.db2.gz PXGURUNVHIQPHX-PRHODGIISA-N -1 3 257.280 1.873 20 10 CDCDHM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1O ZINC000897680895 621069354 /nfs/dbraw/zinc/06/93/54/621069354.db2.gz MVSFQLGJWYDDFC-CPCISQLKSA-N -1 3 259.708 1.997 20 10 CDCDHM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000897680898 621069379 /nfs/dbraw/zinc/06/93/79/621069379.db2.gz MVSFQLGJWYDDFC-WRWORJQWSA-N -1 3 259.708 1.997 20 10 CDCDHM C[C@@H](NCc1nnn(C)n1)c1cc(Cl)ccc1[O-] ZINC000787042623 621315493 /nfs/dbraw/zinc/31/54/93/621315493.db2.gz PACHTZQQDRHKNW-SSDOTTSWSA-N -1 3 267.720 1.420 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[C@H]1O ZINC001142509050 1160689026 /nfs/dbraw/zinc/68/90/26/1160689026.db2.gz VLCKTOKRVVKPQP-QPUJVOFHSA-N -1 3 257.280 1.873 20 10 CDCDHM Cc1nc(C)c(CC(=O)NCc2ccc(N)cc2)c(=O)[n-]1 ZINC001579849424 1172280436 /nfs/dbraw/zinc/28/04/36/1172280436.db2.gz SMTJMSZEEYCFGE-UHFFFAOYSA-N -1 3 286.335 1.240 20 10 CDCDHM C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cn[nH]c1 ZINC001589954552 1173211728 /nfs/dbraw/zinc/21/17/28/1173211728.db2.gz YXUALNDUNCWWQZ-IUCAKERBSA-N -1 3 299.338 1.707 20 10 CDCDHM CC(=O)N[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817415402 844153064 /nfs/dbraw/zinc/15/30/64/844153064.db2.gz SELLJZVLICLBHD-JTQLQIEISA-N -1 3 286.734 1.895 20 10 CDCDHM CCCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000049495031 844470903 /nfs/dbraw/zinc/47/09/03/844470903.db2.gz JNTYFOAHEIECDA-UHFFFAOYSA-N -1 3 286.353 1.246 20 10 CDCDHM CC(=O)NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708433460 843548217 /nfs/dbraw/zinc/54/82/17/843548217.db2.gz KAJGYNXJRFTPIR-UHFFFAOYSA-N -1 3 284.306 1.771 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827120744 843678709 /nfs/dbraw/zinc/67/87/09/843678709.db2.gz VKZBWJIIMUJVMZ-CQSZACIVSA-N -1 3 296.798 1.952 20 10 CDCDHM COc1ccc(O)c(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000776351000 845270905 /nfs/dbraw/zinc/27/09/05/845270905.db2.gz VZVIVLFCHDVUML-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000126188125 845848588 /nfs/dbraw/zinc/84/85/88/845848588.db2.gz XRWWIEXPLZFCNA-UHFFFAOYSA-N -1 3 260.249 1.754 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000816617247 846074619 /nfs/dbraw/zinc/07/46/19/846074619.db2.gz SHWMEPWYHJPRJM-MYJAWHEDSA-N -1 3 271.719 1.855 20 10 CDCDHM O=C(NC[C@@H]1CCCS1)c1cccc(O)c1[O-] ZINC000126489416 846901487 /nfs/dbraw/zinc/90/14/87/846901487.db2.gz YHNBLCOWLWSPNZ-QMMMGPOBSA-N -1 3 253.323 1.723 20 10 CDCDHM O=C1CN(Cc2c([O-])cccc2Cl)C[C@H]2CCCN12 ZINC001140341402 895822577 /nfs/dbraw/zinc/82/25/77/895822577.db2.gz MMRRHZMMQRTDTR-SNVBAGLBSA-N -1 3 280.755 1.852 20 10 CDCDHM CC1(C)C[C@H](NCC(=O)c2ccc([O-])c(O)c2)CO1 ZINC001172277643 911493948 /nfs/dbraw/zinc/49/39/48/911493948.db2.gz VVLYEGGNGHCJDA-JTQLQIEISA-N -1 3 265.309 1.438 20 10 CDCDHM O=S(=O)([N-]Cc1ccccc1O)c1cccc(Cl)n1 ZINC001198246100 925375039 /nfs/dbraw/zinc/37/50/39/925375039.db2.gz ZYQFKJAYNPIXFA-UHFFFAOYSA-N -1 3 298.751 1.919 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N(CCO)Cc1cccs1 ZINC001148213874 932667741 /nfs/dbraw/zinc/66/77/41/932667741.db2.gz LXOIOYACQQUOCG-UHFFFAOYSA-N -1 3 293.344 1.794 20 10 CDCDHM O=C(Nc1cccc2nccn21)c1cccc(O)c1[O-] ZINC001148213108 932667886 /nfs/dbraw/zinc/66/78/86/932667886.db2.gz VMWWKSJFRMZESU-UHFFFAOYSA-N -1 3 269.260 1.998 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001148212130 932668892 /nfs/dbraw/zinc/66/88/92/932668892.db2.gz NNJOUJNXJQPIHO-APPZFPTMSA-N -1 3 269.247 1.825 20 10 CDCDHM C[C@]1(F)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1F ZINC001148583240 932751688 /nfs/dbraw/zinc/75/16/88/932751688.db2.gz VCPLBSHYELJKCK-GWCFXTLKSA-N -1 3 287.262 1.716 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@H](CCO)C1 ZINC001148584620 932752435 /nfs/dbraw/zinc/75/24/35/932752435.db2.gz WIGZTVWQDZUJTK-SECBINFHSA-N -1 3 281.308 1.038 20 10 CDCDHM O=C([O-])c1ccc(O)c(CN2CC3(CSC3)C2)c1 ZINC001231566741 942933168 /nfs/dbraw/zinc/93/31/68/942933168.db2.gz PYHPDWMLBPUTRY-UHFFFAOYSA-N -1 3 265.334 1.639 20 10 CDCDHM Cc1cc([O-])c(CN2CC(F)(CO)C2)cc1Cl ZINC001231868766 943035502 /nfs/dbraw/zinc/03/55/02/943035502.db2.gz YENGQMHVXSWRGA-UHFFFAOYSA-N -1 3 259.708 1.870 20 10 CDCDHM COc1cc([O-])c(CN2CC(C)(O)C2)c(Cl)c1 ZINC001236797772 944570581 /nfs/dbraw/zinc/57/05/81/944570581.db2.gz IXFBJILBRKYGQJ-UHFFFAOYSA-N -1 3 257.717 1.621 20 10 CDCDHM COc1ccc(CN2CC3(CN(C)C3)C2)c([O-])c1Cl ZINC001236818262 944580469 /nfs/dbraw/zinc/58/04/69/944580469.db2.gz KDEIYTVOMVTRSR-UHFFFAOYSA-N -1 3 282.771 1.802 20 10 CDCDHM C[C@@H]([NH2+]CCN(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266159 994578308 /nfs/dbraw/zinc/57/83/08/994578308.db2.gz ARJFCCKYIZOJHK-SECBINFHSA-N -1 3 252.314 1.303 20 10 CDCDHM CCN(Cc1cn[nH]n1)Cc1cc(F)c(F)cc1[O-] ZINC001576544167 1171452318 /nfs/dbraw/zinc/45/23/18/1171452318.db2.gz PPBFJDOLKXEKIZ-UHFFFAOYSA-N -1 3 268.267 1.811 20 10 CDCDHM CCN(Cc1c[nH]nn1)Cc1cc(F)c(F)cc1[O-] ZINC001576544167 1171452323 /nfs/dbraw/zinc/45/23/23/1171452323.db2.gz PPBFJDOLKXEKIZ-UHFFFAOYSA-N -1 3 268.267 1.811 20 10 CDCDHM CN(CCS(C)(=O)=O)Cc1cc(F)ccc1[O-] ZINC000179935076 357230651 /nfs/dbraw/zinc/23/06/51/357230651.db2.gz TYTHZWURUGDONN-UHFFFAOYSA-N -1 3 261.318 1.008 20 10 CDCDHM COc1cc(Cl)cc(CN2CCN(C)CC2)c1[O-] ZINC000184669734 357492545 /nfs/dbraw/zinc/49/25/45/357492545.db2.gz DAOKYMBQURRDSM-UHFFFAOYSA-N -1 3 270.760 1.802 20 10 CDCDHM CCN(C)C(=O)CNCc1cccc(Cl)c1[O-] ZINC000187675829 357794277 /nfs/dbraw/zinc/79/42/77/357794277.db2.gz LLHYSFVIKGJTDX-UHFFFAOYSA-N -1 3 256.733 1.614 20 10 CDCDHM CCC1(O)CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272732307 365371470 /nfs/dbraw/zinc/37/14/70/365371470.db2.gz KEJIXLLPSRAIBQ-UHFFFAOYSA-N -1 3 279.336 1.783 20 10 CDCDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000273521558 365504264 /nfs/dbraw/zinc/50/42/64/365504264.db2.gz UMVCCAOIWDRUNS-TVQRCGJNSA-N -1 3 279.315 1.649 20 10 CDCDHM C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273596441 365509647 /nfs/dbraw/zinc/50/96/47/365509647.db2.gz QUWWAZKRBJKKTG-RKDXNWHRSA-N -1 3 279.296 1.182 20 10 CDCDHM CNC(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000291925306 370313483 /nfs/dbraw/zinc/31/34/83/370313483.db2.gz ODXYRILQXOOSQW-YUMQZZPRSA-N -1 3 267.285 1.086 20 10 CDCDHM CC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1 ZINC000093246203 390901096 /nfs/dbraw/zinc/90/10/96/390901096.db2.gz CLFRWHYTTYJGRP-UHFFFAOYSA-N -1 3 298.364 1.436 20 10 CDCDHM Cc1ccc(C(=O)N2CCC3(CCO3)CC2)c([O-])c1O ZINC000374437273 391163619 /nfs/dbraw/zinc/16/36/19/391163619.db2.gz BIKSFKBXOXWXHX-UHFFFAOYSA-N -1 3 277.320 1.801 20 10 CDCDHM Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182318562 391232688 /nfs/dbraw/zinc/23/26/88/391232688.db2.gz AXTXYDXGRIIPNP-SECBINFHSA-N -1 3 289.335 1.939 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@@H](O)C2)c([O-])c1O ZINC000179420164 391204633 /nfs/dbraw/zinc/20/46/33/391204633.db2.gz OLKMPDMNSCFXDU-SECBINFHSA-N -1 3 251.282 1.003 20 10 CDCDHM CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000179547590 391210322 /nfs/dbraw/zinc/21/03/22/391210322.db2.gz TWYYPSCJACZMOE-NSHDSACASA-N -1 3 292.335 1.147 20 10 CDCDHM Cc1cc(Br)cc(CN2CCNC(=O)C2)c1[O-] ZINC000179561647 391210584 /nfs/dbraw/zinc/21/05/84/391210584.db2.gz WKUGQGGFSQXXES-UHFFFAOYSA-N -1 3 299.168 1.395 20 10 CDCDHM CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126187173 260346722 /nfs/dbraw/zinc/34/67/22/260346722.db2.gz YCESMGOACWTMJF-JTQLQIEISA-N -1 3 293.319 1.513 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)NC(C)(C)C ZINC000126531807 260352569 /nfs/dbraw/zinc/35/25/69/260352569.db2.gz WQCXRXWRWBMDIU-QMMMGPOBSA-N -1 3 280.324 1.131 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c([O-])c1O ZINC000368084686 267145468 /nfs/dbraw/zinc/14/54/68/267145468.db2.gz HMFNBTGAPHZEDT-VXGBXAGGSA-N -1 3 291.347 1.905 20 10 CDCDHM COCC(C)(C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000293754995 328277609 /nfs/dbraw/zinc/27/76/09/328277609.db2.gz PMTBAARRONCIKI-UHFFFAOYSA-N -1 3 267.325 1.809 20 10 CDCDHM [O-]c1ccccc1CN1CCOC[C@H]1c1ncon1 ZINC000378542827 329054268 /nfs/dbraw/zinc/05/42/68/329054268.db2.gz PATPVMNJCQFGDA-NSHDSACASA-N -1 3 261.281 1.349 20 10 CDCDHM CCn1nncc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000527920508 330295669 /nfs/dbraw/zinc/29/56/69/330295669.db2.gz PSZAKTUYNCQDCE-VIFPVBQESA-N -1 3 264.304 1.994 20 10 CDCDHM O=C(/C=C\c1cncc([O-])c1)N1C[C@@H](CO)c2ccccc21 ZINC000492975443 332420961 /nfs/dbraw/zinc/42/09/61/332420961.db2.gz VBEBRMDIYMJVAA-SZZPACECSA-N -1 3 296.326 1.923 20 10 CDCDHM COC(=O)N1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000790627405 1162164917 /nfs/dbraw/zinc/16/49/17/1162164917.db2.gz OQSWFFGOTBNNRZ-SECBINFHSA-N -1 3 294.307 1.058 20 10 CDCDHM CCN(CCNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000276615998 521069496 /nfs/dbraw/zinc/06/94/96/521069496.db2.gz QDXWTOTWIBHJLC-UHFFFAOYSA-N -1 3 282.315 1.451 20 10 CDCDHM COc1cc(Cl)cc(CN[C@]2(C)CCOC2=O)c1[O-] ZINC000290857960 522542683 /nfs/dbraw/zinc/54/26/83/522542683.db2.gz JMLCOXNTGYTSTR-CYBMUJFWSA-N -1 3 285.727 1.849 20 10 CDCDHM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cccc(O)c1[O-] ZINC000279360108 524823143 /nfs/dbraw/zinc/82/31/43/524823143.db2.gz SQLGIPOOYUUAIY-UWVGGRQHSA-N -1 3 281.308 1.022 20 10 CDCDHM O=C(N[C@@H]1CCC[C@@H]1CCO)c1cccc(O)c1[O-] ZINC000280422240 526902565 /nfs/dbraw/zinc/90/25/65/526902565.db2.gz ITFAAFQHQRBXIZ-MWLCHTKSSA-N -1 3 265.309 1.379 20 10 CDCDHM CC(C)(C)C[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000192878192 527703490 /nfs/dbraw/zinc/70/34/90/527703490.db2.gz YYBQOCKYGSUBMG-VIFPVBQESA-N -1 3 267.325 1.625 20 10 CDCDHM CC(C)CN1CCO[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000731864089 575066401 /nfs/dbraw/zinc/06/64/01/575066401.db2.gz KSKHYAQUMIARMY-GFCCVEGCSA-N -1 3 298.408 1.540 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)NCc1cccs1 ZINC000731909260 575070036 /nfs/dbraw/zinc/07/00/36/575070036.db2.gz FAFLXXIHFHLHFQ-UHFFFAOYSA-N -1 3 297.357 1.988 20 10 CDCDHM COC(=O)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732276857 575085911 /nfs/dbraw/zinc/08/59/11/575085911.db2.gz UELJGODXZZDEJJ-UHFFFAOYSA-N -1 3 283.349 1.869 20 10 CDCDHM O=C([O-])C1=CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC001601740157 1174978893 /nfs/dbraw/zinc/97/88/93/1174978893.db2.gz IHHYHPHZWKLCGI-LLVKDONJSA-N -1 3 251.257 1.794 20 10 CDCDHM CCc1nncn1CCNC(=O)c1cc([O-])cs1 ZINC000743759182 576653398 /nfs/dbraw/zinc/65/33/98/576653398.db2.gz PQQKXGRXWDOKFP-UHFFFAOYSA-N -1 3 266.326 1.038 20 10 CDCDHM COc1c([O-])c(CN(C)Cc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000774885305 575249132 /nfs/dbraw/zinc/24/91/32/575249132.db2.gz QVQJLPVNHXZVFP-UHFFFAOYSA-N -1 3 292.295 1.664 20 10 CDCDHM CN(C)c1ccc(CNC(=O)c2csc(=O)[n-]2)cc1 ZINC000769680350 575370872 /nfs/dbraw/zinc/37/08/72/575370872.db2.gz UTJIIRBDQHQQGZ-UHFFFAOYSA-N -1 3 277.349 1.845 20 10 CDCDHM O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc([O-])cs1 ZINC000771419979 575578099 /nfs/dbraw/zinc/57/80/99/575578099.db2.gz ULAXOFDSVPXUKS-NOZJJQNGSA-N -1 3 283.349 1.522 20 10 CDCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1nncn1C ZINC000765423425 576020276 /nfs/dbraw/zinc/02/02/76/576020276.db2.gz AXPRYKKUTCLKCP-LURJTMIESA-N -1 3 252.299 1.073 20 10 CDCDHM O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000739639359 576271313 /nfs/dbraw/zinc/27/13/13/576271313.db2.gz LINRDWIRVNDPLK-LLVKDONJSA-N -1 3 293.319 1.950 20 10 CDCDHM O=C([O-])C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000739639359 576271315 /nfs/dbraw/zinc/27/13/15/576271315.db2.gz LINRDWIRVNDPLK-LLVKDONJSA-N -1 3 293.319 1.950 20 10 CDCDHM O=C([O-])c1ccc(CNCc2cc3c(cc2O)OCO3)o1 ZINC000740132177 576429538 /nfs/dbraw/zinc/42/95/38/576429538.db2.gz FTHRKRUIAYAICD-UHFFFAOYSA-N -1 3 291.259 1.702 20 10 CDCDHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc([O-])cs1 ZINC000760141751 576460549 /nfs/dbraw/zinc/46/05/49/576460549.db2.gz XOUGSXGMPZIUIQ-DTWKUNHWSA-N -1 3 255.339 1.999 20 10 CDCDHM Oc1ccc(CCNc2ncccc2-c2nnn[n-]2)cc1O ZINC000823726489 606481600 /nfs/dbraw/zinc/48/16/00/606481600.db2.gz ADVBEFHCEOAYQV-UHFFFAOYSA-N -1 3 298.306 1.328 20 10 CDCDHM Oc1ccc(CCNc2ncccc2-c2nn[n-]n2)cc1O ZINC000823726489 606481601 /nfs/dbraw/zinc/48/16/01/606481601.db2.gz ADVBEFHCEOAYQV-UHFFFAOYSA-N -1 3 298.306 1.328 20 10 CDCDHM CC(C)N(C)CC(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911484782 629300129 /nfs/dbraw/zinc/30/01/29/629300129.db2.gz QGAFQRHWFUHOEC-UHFFFAOYSA-N -1 3 294.351 1.146 20 10 CDCDHM COc1cccc(CNc2cc(-c3nnn[n-]3)ccn2)c1O ZINC001605318507 1163523112 /nfs/dbraw/zinc/52/31/12/1163523112.db2.gz YAYMPXMWNOOPQO-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1cccc(CNc2cc(-c3nn[n-]n3)ccn2)c1O ZINC001605318507 1163523118 /nfs/dbraw/zinc/52/31/18/1163523118.db2.gz YAYMPXMWNOOPQO-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM CC[C@H]([NH2+]C/C=C\CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467354 1173420336 /nfs/dbraw/zinc/42/03/36/1173420336.db2.gz PSVBLJFCMNRJTO-MVZIDQBPSA-N -1 3 289.339 1.162 20 10 CDCDHM COCC1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000855217874 697663303 /nfs/dbraw/zinc/66/33/03/697663303.db2.gz JOGZOIOZMCVSDW-UHFFFAOYSA-N -1 3 265.309 1.787 20 10 CDCDHM COC(=O)CN(CC(C)=O)Cc1cc(Cl)ccc1[O-] ZINC000878243108 698294096 /nfs/dbraw/zinc/29/40/96/698294096.db2.gz UMUNLIGBGMHYEH-UHFFFAOYSA-N -1 3 285.727 1.610 20 10 CDCDHM COC[C@H](CNC(=O)c1cccc(O)c1[O-])C(C)C ZINC000885801609 698341285 /nfs/dbraw/zinc/34/12/85/698341285.db2.gz UAEARTYTVMOSBG-JTQLQIEISA-N -1 3 267.325 1.746 20 10 CDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)C(F)(F)F ZINC000790912235 698483302 /nfs/dbraw/zinc/48/33/02/698483302.db2.gz QJAZIEXGQMQQDH-OIBJUYFYSA-N -1 3 293.241 1.529 20 10 CDCDHM Cn1c(NC(=O)c2cccc(O)c2[O-])nc2cccnc21 ZINC000807259050 698814503 /nfs/dbraw/zinc/81/45/03/698814503.db2.gz HADCHHMZXZRECP-UHFFFAOYSA-N -1 3 284.275 1.632 20 10 CDCDHM O=C(NCc1ccc2c(c1)OCO2)c1cccc(O)c1[O-] ZINC000126392346 698824761 /nfs/dbraw/zinc/82/47/61/698824761.db2.gz VVFBBQWBLDTWJQ-UHFFFAOYSA-N -1 3 287.271 1.757 20 10 CDCDHM CN(Cc1nc[nH]n1)Cc1ccc(Br)cc1[O-] ZINC000824828489 698858318 /nfs/dbraw/zinc/85/83/18/698858318.db2.gz CASZWWRKWCOYAS-UHFFFAOYSA-N -1 3 297.156 1.905 20 10 CDCDHM O=C(NC[C@@H](CO)CC1CC1)c1cccc(O)c1[O-] ZINC000855916437 704830691 /nfs/dbraw/zinc/83/06/91/704830691.db2.gz NUDQKKSGXCQPPJ-JTQLQIEISA-N -1 3 265.309 1.236 20 10 CDCDHM CC(C)(CO)[C@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000848247598 704838189 /nfs/dbraw/zinc/83/81/89/704838189.db2.gz OOEHROQSMQSNCF-CYBMUJFWSA-N -1 3 279.336 1.625 20 10 CDCDHM C[C@@H](CO)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000846470122 705084418 /nfs/dbraw/zinc/08/44/18/705084418.db2.gz FUBSXAYUMSYHRC-JTQLQIEISA-N -1 3 279.336 1.578 20 10 CDCDHM CCC1(O)CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000790912945 705214440 /nfs/dbraw/zinc/21/44/40/705214440.db2.gz ZPBZDTVTBHVIDH-UHFFFAOYSA-N -1 3 279.336 1.911 20 10 CDCDHM O=C(NC1(C(F)(F)F)CC1)c1cccc(O)c1[O-] ZINC000229720811 848103540 /nfs/dbraw/zinc/10/35/40/848103540.db2.gz VJYDHAHEZXWMFP-UHFFFAOYSA-N -1 3 261.199 1.923 20 10 CDCDHM COC(=O)[C@@H](C)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000796498252 848488499 /nfs/dbraw/zinc/48/84/99/848488499.db2.gz KVWKTNPARLAYFY-MRVPVSSYSA-N -1 3 283.299 1.727 20 10 CDCDHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1cccc(O)c1[O-] ZINC000776343364 848542939 /nfs/dbraw/zinc/54/29/39/848542939.db2.gz RTIOSETZRIUBBZ-UHFFFAOYSA-N -1 3 284.271 1.594 20 10 CDCDHM CC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000863814006 848919771 /nfs/dbraw/zinc/91/97/71/848919771.db2.gz UKEQOEZBGZXREK-LLVKDONJSA-N -1 3 292.335 1.229 20 10 CDCDHM NC(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000188085496 848938405 /nfs/dbraw/zinc/93/84/05/848938405.db2.gz VZIYRMVXGDXFRT-UHFFFAOYSA-N -1 3 272.260 1.449 20 10 CDCDHM CCCN(C(=O)c1cccc(O)c1[O-])[C@H](C)C(=O)OC ZINC000888612794 849527434 /nfs/dbraw/zinc/52/74/34/849527434.db2.gz GDTWHYCCVVAJBZ-SECBINFHSA-N -1 3 281.308 1.512 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN(CCO)CCCO ZINC000792168052 849730944 /nfs/dbraw/zinc/73/09/44/849730944.db2.gz ZWLXGWWXTJTRFI-UHFFFAOYSA-N -1 3 277.723 1.361 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCOC1 ZINC000389050857 849950101 /nfs/dbraw/zinc/95/01/01/849950101.db2.gz RXRWDWGNGHBUPP-NXEZZACHSA-N -1 3 265.309 1.643 20 10 CDCDHM Cc1ccc(C(=O)Nc2nnc3ccccn32)c([O-])c1O ZINC000780903576 850120180 /nfs/dbraw/zinc/12/01/80/850120180.db2.gz ULFGADUBYSLOMU-UHFFFAOYSA-N -1 3 284.275 1.701 20 10 CDCDHM CC[C@H](NCc1c([O-])ccc(Cl)c1F)C(=O)NC ZINC000825315514 850121805 /nfs/dbraw/zinc/12/18/05/850121805.db2.gz COWSOOMIDHPCCC-VIFPVBQESA-N -1 3 274.723 1.799 20 10 CDCDHM CCCN(CC(C)(C)O)C(=O)c1cccc(O)c1[O-] ZINC000690946665 905906599 /nfs/dbraw/zinc/90/65/99/905906599.db2.gz YBNCASWQMUAIIR-UHFFFAOYSA-N -1 3 267.325 1.721 20 10 CDCDHM [O-]c1c(F)cc(F)cc1Nc1ncnn2cccc12 ZINC001212479863 921267393 /nfs/dbraw/zinc/26/73/93/921267393.db2.gz WJSNZDRWNIIMEI-UHFFFAOYSA-N -1 3 262.219 1.879 20 10 CDCDHM [O-]c1cccc(F)c1CN1C[C@H](CO)C[C@H](F)C1 ZINC001137831560 936417086 /nfs/dbraw/zinc/41/70/86/936417086.db2.gz DYYZMLRMKIOMJV-ZJUUUORDSA-N -1 3 257.280 1.684 20 10 CDCDHM COC(=O)[C@@H]1CCN1Cc1ccc(Cl)cc1[O-] ZINC001140462296 936712361 /nfs/dbraw/zinc/71/23/61/936712361.db2.gz DXBJVDNSXXCIIM-JTQLQIEISA-N -1 3 255.701 1.793 20 10 CDCDHM CCOC(=O)[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140467295 936713025 /nfs/dbraw/zinc/71/30/25/936713025.db2.gz UXMLOGLNVKBYFN-CYBMUJFWSA-N -1 3 299.754 1.810 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCC(F)(F)[C@@H](CO)C1 ZINC001137831577 922451545 /nfs/dbraw/zinc/45/15/45/922451545.db2.gz GCLHLFMITZWODK-SECBINFHSA-N -1 3 275.270 1.981 20 10 CDCDHM C[C@@]1(O)CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1F ZINC001148212283 932667859 /nfs/dbraw/zinc/66/78/59/932667859.db2.gz VVCDAHBHCXVZQQ-GXFFZTMASA-N -1 3 269.272 1.033 20 10 CDCDHM Cc1ncnc(C)c1NC(=O)c1cccc(O)c1[O-] ZINC001148212171 932668331 /nfs/dbraw/zinc/66/83/31/932668331.db2.gz PICUVAPPBYFUFC-UHFFFAOYSA-N -1 3 259.265 1.757 20 10 CDCDHM C[C@@]1(CO)CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148212045 932668924 /nfs/dbraw/zinc/66/89/24/932668924.db2.gz JAWXYWURBFEUOR-OAHLLOKOSA-N -1 3 279.336 1.723 20 10 CDCDHM O=C(Nc1ccc[nH]c1=S)c1cc(O)c([O-])c(O)c1 ZINC001148579812 932749332 /nfs/dbraw/zinc/74/93/32/932749332.db2.gz AAJRGKWGLVEZKI-UHFFFAOYSA-N -1 3 278.289 1.739 20 10 CDCDHM COc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)c(C)n1 ZINC001148581714 932751576 /nfs/dbraw/zinc/75/15/76/932751576.db2.gz SENXRWGRCFKOHG-UHFFFAOYSA-N -1 3 290.275 1.768 20 10 CDCDHM CC(C)c1noc(CCNC(=O)c2cccc(O)c2[O-])n1 ZINC000187083697 940999540 /nfs/dbraw/zinc/99/95/40/940999540.db2.gz QEXKQDTWKCKFFT-UHFFFAOYSA-N -1 3 291.307 1.577 20 10 CDCDHM C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCCC1=O ZINC001231446341 942891084 /nfs/dbraw/zinc/89/10/84/942891084.db2.gz HDOJDVNJMQZGOG-SNVBAGLBSA-N -1 3 277.320 1.891 20 10 CDCDHM C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCCC1=O ZINC001231446341 942891088 /nfs/dbraw/zinc/89/10/88/942891088.db2.gz HDOJDVNJMQZGOG-SNVBAGLBSA-N -1 3 277.320 1.891 20 10 CDCDHM C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@@H]1O ZINC001231561443 942927703 /nfs/dbraw/zinc/92/77/03/942927703.db2.gz VCOHPHNWTQYGNB-MFKMUULPSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@@H]1O ZINC001231561443 942927707 /nfs/dbraw/zinc/92/77/07/942927707.db2.gz VCOHPHNWTQYGNB-MFKMUULPSA-N -1 3 279.336 1.683 20 10 CDCDHM COC(CN(C)Cc1cc(C(=O)[O-])ccc1O)OC ZINC001231565605 942930889 /nfs/dbraw/zinc/93/08/89/942930889.db2.gz IDKXKJLJMVTPAJ-UHFFFAOYSA-N -1 3 269.297 1.141 20 10 CDCDHM COc1cc([O-])c(CN2CC(C)(CO)C2)c(Cl)c1 ZINC001236799680 944573267 /nfs/dbraw/zinc/57/32/67/944573267.db2.gz VNYQWMNYFQAEIE-UHFFFAOYSA-N -1 3 271.744 1.868 20 10 CDCDHM COCCS(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001259971871 945766395 /nfs/dbraw/zinc/76/63/95/945766395.db2.gz RZGNHGBGHOIYCH-UHFFFAOYSA-N -1 3 267.253 1.059 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001593966362 956545552 /nfs/dbraw/zinc/54/55/52/956545552.db2.gz AZNDALGRMMFKMY-OAHLLOKOSA-N -1 3 279.336 1.624 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001593966362 956545555 /nfs/dbraw/zinc/54/55/55/956545555.db2.gz AZNDALGRMMFKMY-OAHLLOKOSA-N -1 3 279.336 1.624 20 10 CDCDHM CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@H](C)O ZINC001595278879 980315114 /nfs/dbraw/zinc/31/51/14/980315114.db2.gz KRVCWBPGJVDGOI-AUTRQRHGSA-N -1 3 267.325 1.900 20 10 CDCDHM CCN(CCCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000135835486 361764874 /nfs/dbraw/zinc/76/48/74/361764874.db2.gz AYBRKJIUAJISPA-UHFFFAOYSA-N -1 3 269.316 1.938 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCOC[C@H](O)C2)c1[O-] ZINC000294923744 199251483 /nfs/dbraw/zinc/25/14/83/199251483.db2.gz YXEMGDWDURAIDV-GFCCVEGCSA-N -1 3 271.744 1.547 20 10 CDCDHM CC(C)(CO)CCNC(=O)c1cccc(O)c1[O-] ZINC000295409593 364103845 /nfs/dbraw/zinc/10/38/45/364103845.db2.gz KZSNTTZUJIUVFG-UHFFFAOYSA-N -1 3 253.298 1.236 20 10 CDCDHM Cc1ccc(C(=O)N(C)C[C@@H]2CCOC2)c([O-])c1O ZINC000272727761 365368589 /nfs/dbraw/zinc/36/85/89/365368589.db2.gz JGQTZPIIOCZWJY-JTQLQIEISA-N -1 3 265.309 1.515 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CC(C)(C)OC2=O)c([O-])c1O ZINC000272770775 365389177 /nfs/dbraw/zinc/38/91/77/365389177.db2.gz SGTNUHCUZAFERX-SECBINFHSA-N -1 3 279.292 1.230 20 10 CDCDHM CCOC(=O)C[C@@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000273059158 365467161 /nfs/dbraw/zinc/46/71/61/365467161.db2.gz XWBUDVQRYRZPAR-SECBINFHSA-N -1 3 295.335 1.725 20 10 CDCDHM Cc1ccc(C(=O)NCCC2(O)CCC2)c([O-])c1O ZINC000285636828 368648869 /nfs/dbraw/zinc/64/88/69/368648869.db2.gz FKIRVMUDASACOI-UHFFFAOYSA-N -1 3 265.309 1.441 20 10 CDCDHM O=C(NCc1n[nH]c(C2CC2)n1)c1c(F)ccc(O)c1[O-] ZINC000295395168 371253947 /nfs/dbraw/zinc/25/39/47/371253947.db2.gz JLVQIQLUXFOPJH-UHFFFAOYSA-N -1 3 292.270 1.162 20 10 CDCDHM Cc1nnc([C@H](C)NC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000286279412 377880486 /nfs/dbraw/zinc/88/04/86/377880486.db2.gz GTNRUNBVRHURQX-LURJTMIESA-N -1 3 262.269 1.015 20 10 CDCDHM COCCCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177676676 391173884 /nfs/dbraw/zinc/17/38/84/391173884.db2.gz OEMZFEUOJZJWEU-UHFFFAOYSA-N -1 3 253.298 1.515 20 10 CDCDHM O=C(N[C@@H]1CCCOCC1)c1cccc(O)c1[O-] ZINC000193153451 227010178 /nfs/dbraw/zinc/01/01/78/227010178.db2.gz RDUIVWSACFIRPX-SECBINFHSA-N -1 3 251.282 1.397 20 10 CDCDHM C[C@H](CCCO)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589821890 1173188454 /nfs/dbraw/zinc/18/84/54/1173188454.db2.gz YTRZJMQZHGQANS-ZJUUUORDSA-N -1 3 291.355 1.384 20 10 CDCDHM CC[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000184688320 262026011 /nfs/dbraw/zinc/02/60/11/262026011.db2.gz PXUDJYHNEDQOIJ-LLVKDONJSA-N -1 3 298.770 1.765 20 10 CDCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@]1(CO)CCOC1 ZINC000184194766 262272320 /nfs/dbraw/zinc/27/23/20/262272320.db2.gz PXSNYQGEXMGEHL-LBPRGKRZSA-N -1 3 292.162 1.940 20 10 CDCDHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000790759163 1162168397 /nfs/dbraw/zinc/16/83/97/1162168397.db2.gz GJSFOIJRESQTSE-YMTOWFKASA-N -1 3 267.325 1.625 20 10 CDCDHM COc1c([O-])c(CNCc2cc(C)no2)ccc1[N+](=O)[O-] ZINC000278513823 521877880 /nfs/dbraw/zinc/87/78/80/521877880.db2.gz QHCZSIQUCZPRTL-UHFFFAOYSA-N -1 3 293.279 1.895 20 10 CDCDHM COCCCn1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000279390636 523506506 /nfs/dbraw/zinc/50/65/06/523506506.db2.gz VVASDUPKWUJDGM-UHFFFAOYSA-N -1 3 291.307 1.583 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280241851 524987255 /nfs/dbraw/zinc/98/72/55/524987255.db2.gz KOHNFGLNHMOOSU-IAQYHMDHSA-N -1 3 281.327 1.911 20 10 CDCDHM C[C@](O)(CNC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000280005132 525177092 /nfs/dbraw/zinc/17/70/92/525177092.db2.gz VRVYSOLWMXBMRO-JTQLQIEISA-N -1 3 279.214 1.141 20 10 CDCDHM C[C@]1(O)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126567270 525305477 /nfs/dbraw/zinc/30/54/77/525305477.db2.gz VRQSAOPCIVMABZ-ZDUSSCGKSA-N -1 3 251.282 1.085 20 10 CDCDHM O=C(N[C@H](CO)C1CCCC1)c1cccc(O)c1[O-] ZINC000291364303 526992910 /nfs/dbraw/zinc/99/29/10/526992910.db2.gz VQHVUJKFPQCGLX-LLVKDONJSA-N -1 3 265.309 1.379 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)N1CCCCC1 ZINC000731909626 575070438 /nfs/dbraw/zinc/07/04/38/575070438.db2.gz GREMEADUJMYOLO-UHFFFAOYSA-N -1 3 269.322 1.623 20 10 CDCDHM CC(=O)N1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732258706 575084555 /nfs/dbraw/zinc/08/45/55/575084555.db2.gz GJAWCHROZSVQQC-UHFFFAOYSA-N -1 3 268.338 1.148 20 10 CDCDHM CCN(CC(=O)N(C)C)C(=O)c1cc([O-])cs1 ZINC000732271189 575085322 /nfs/dbraw/zinc/08/53/22/575085322.db2.gz PYWQBGSLPTYBCE-UHFFFAOYSA-N -1 3 256.327 1.004 20 10 CDCDHM C[C@@H](CN1CCCC1=O)NC(=O)c1cc([O-])cs1 ZINC000732274779 575085688 /nfs/dbraw/zinc/08/56/88/575085688.db2.gz ZFGBFUOVJKYDJM-QMMMGPOBSA-N -1 3 268.338 1.194 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)NCC1CC1 ZINC000732352761 575088123 /nfs/dbraw/zinc/08/81/23/575088123.db2.gz GBXUIRHLIRHTJW-UHFFFAOYSA-N -1 3 255.295 1.137 20 10 CDCDHM CCCC[C@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000761176638 576557219 /nfs/dbraw/zinc/55/72/19/576557219.db2.gz KKFUAXZCTNFKJC-VIFPVBQESA-N -1 3 271.338 1.915 20 10 CDCDHM O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cc([O-])cs1 ZINC000735331582 575456797 /nfs/dbraw/zinc/45/67/97/575456797.db2.gz OPNRRKRCCWMFBD-UHFFFAOYSA-N -1 3 288.328 1.992 20 10 CDCDHM CC[N@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OCO2 ZINC000737095687 575818544 /nfs/dbraw/zinc/81/85/44/575818544.db2.gz AHTVOYYHPXAUJJ-UHFFFAOYSA-N -1 3 267.281 1.418 20 10 CDCDHM CC[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OCO2 ZINC000737095687 575818545 /nfs/dbraw/zinc/81/85/45/575818545.db2.gz AHTVOYYHPXAUJJ-UHFFFAOYSA-N -1 3 267.281 1.418 20 10 CDCDHM CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc([O-])cs1 ZINC000738554721 576087844 /nfs/dbraw/zinc/08/78/44/576087844.db2.gz IRERVCSBCJNJOQ-NSHDSACASA-N -1 3 268.382 1.866 20 10 CDCDHM O=C(OCCOC[C@@H]1CCCO1)c1cc([O-])cs1 ZINC000741317736 576552139 /nfs/dbraw/zinc/55/21/39/576552139.db2.gz KAESTQCNRKXCRZ-JTQLQIEISA-N -1 3 272.322 1.806 20 10 CDCDHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CN1C1CC1 ZINC000754025044 576874044 /nfs/dbraw/zinc/87/40/44/576874044.db2.gz NSXFHHDXFVVJHM-DTWKUNHWSA-N -1 3 266.366 1.809 20 10 CDCDHM CO[C@H](C)c1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000747700461 576881031 /nfs/dbraw/zinc/88/10/31/576881031.db2.gz KGQGHQLRCBMMLU-ZCFIWIBFSA-N -1 3 284.293 1.901 20 10 CDCDHM O=C(N[C@H]1CC[C@H](CO)CC1)c1cc([O-])cs1 ZINC000757905476 577060131 /nfs/dbraw/zinc/06/01/31/577060131.db2.gz APTCWZRPECTDQY-KYZUINATSA-N -1 3 255.339 1.735 20 10 CDCDHM C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000235639549 605479798 /nfs/dbraw/zinc/47/97/98/605479798.db2.gz PDCGDVZBSNJZLW-KWQFWETISA-N -1 3 253.273 1.684 20 10 CDCDHM C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000235639549 605479801 /nfs/dbraw/zinc/47/98/01/605479801.db2.gz PDCGDVZBSNJZLW-KWQFWETISA-N -1 3 253.273 1.684 20 10 CDCDHM COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000891298764 617407115 /nfs/dbraw/zinc/40/71/15/617407115.db2.gz OXHQHPQGSQSNSQ-ZJUUUORDSA-N -1 3 293.319 1.559 20 10 CDCDHM Cc1ccc(C(=O)NN2CCCC[C@@H]2C)c([O-])c1O ZINC000912143382 629814625 /nfs/dbraw/zinc/81/46/25/629814625.db2.gz ATCKUVBBGIXCNS-JTQLQIEISA-N -1 3 264.325 1.925 20 10 CDCDHM C[C@@H]([NH2+]CCC(=O)NCCC(=O)[O-])c1cc(F)ccc1[O-] ZINC001604337093 1163156457 /nfs/dbraw/zinc/15/64/57/1163156457.db2.gz CTBLOUMBVPATOO-SECBINFHSA-N -1 3 298.314 1.163 20 10 CDCDHM C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339334 1163157880 /nfs/dbraw/zinc/15/78/80/1163157880.db2.gz XIHYBTBTSXPLTF-NXEZZACHSA-N -1 3 265.309 1.778 20 10 CDCDHM CC(=O)C(=O)COc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588781489 1173105030 /nfs/dbraw/zinc/10/50/30/1173105030.db2.gz FHASOKKIMKRQMI-UHFFFAOYSA-N -1 3 280.671 1.057 20 10 CDCDHM CC(=O)C(=O)COc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588781489 1173105034 /nfs/dbraw/zinc/10/50/34/1173105034.db2.gz FHASOKKIMKRQMI-UHFFFAOYSA-N -1 3 280.671 1.057 20 10 CDCDHM Cc1nnc(CN[C@H](C)c2ccc(F)cc2[O-])n1C ZINC000393157184 1187285878 /nfs/dbraw/zinc/28/58/78/1187285878.db2.gz RQUDNSBAOAPALL-MRVPVSSYSA-N -1 3 264.304 1.819 20 10 CDCDHM C[C@H](NCCS(=O)(=O)C1CC1)c1c([O-])cccc1F ZINC000886626653 705345499 /nfs/dbraw/zinc/34/54/99/705345499.db2.gz HVTXOQKOVYIWAG-VIFPVBQESA-N -1 3 287.356 1.759 20 10 CDCDHM Cc1cc([O-])c([C@H]2NC(=O)[C@H]3CSCCN32)cc1Cl ZINC000849183734 705667537 /nfs/dbraw/zinc/66/75/37/705667537.db2.gz VYYZHEOKBTVYSJ-PWSUYJOCSA-N -1 3 298.795 1.900 20 10 CDCDHM O=C(NCC[C@H](O)C1CCCC1)c1cccc(O)c1[O-] ZINC000831390778 705933069 /nfs/dbraw/zinc/93/30/69/705933069.db2.gz VFPWARZTCGMCNR-LBPRGKRZSA-N -1 3 279.336 1.769 20 10 CDCDHM CN1CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H](CO)C1 ZINC000877644939 706107640 /nfs/dbraw/zinc/10/76/40/706107640.db2.gz WNEMEOCZDXZZLS-SECBINFHSA-N -1 3 288.750 1.293 20 10 CDCDHM COC1CN(Cc2c([O-])cccc2Br)C1 ZINC000862388993 706178508 /nfs/dbraw/zinc/17/85/08/706178508.db2.gz NBCRMIDKEMPCKW-UHFFFAOYSA-N -1 3 272.142 1.985 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000846060765 706203103 /nfs/dbraw/zinc/20/31/03/706203103.db2.gz UTEGJFHBUDNJAU-ZANVPECISA-N -1 3 283.299 1.294 20 10 CDCDHM NC(=O)[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000160305212 710227569 /nfs/dbraw/zinc/22/75/69/710227569.db2.gz YLAJXQDCLYEGEM-SNVBAGLBSA-N -1 3 299.168 1.604 20 10 CDCDHM CCn1nc(C)c(CNC(=O)c2cccc(O)c2[O-])c1C ZINC000790631820 710339884 /nfs/dbraw/zinc/33/98/84/710339884.db2.gz SLMXUGPWJZXEON-UHFFFAOYSA-N -1 3 289.335 1.861 20 10 CDCDHM CCNC(=O)CN(C)Cc1cc(Cl)ccc1[O-] ZINC000133176848 710442631 /nfs/dbraw/zinc/44/26/31/710442631.db2.gz OSLURZFBWCHGRS-UHFFFAOYSA-N -1 3 256.733 1.614 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCC(F)(F)CN)c1 ZINC000817966419 711468445 /nfs/dbraw/zinc/46/84/45/711468445.db2.gz NJRNRQCWYNWJRF-MRVPVSSYSA-N -1 3 288.294 1.423 20 10 CDCDHM C[C@@H](NCc1cnnn1C)c1cc(F)cc(F)c1[O-] ZINC000806660150 711655621 /nfs/dbraw/zinc/65/56/21/711655621.db2.gz ROGIUVXJBKBQPB-SSDOTTSWSA-N -1 3 268.267 1.650 20 10 CDCDHM CN1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(F)c1[O-] ZINC001233078240 912712984 /nfs/dbraw/zinc/71/29/84/912712984.db2.gz MZZZSFTUSDQXLH-UWVGGRQHSA-N -1 3 254.280 1.559 20 10 CDCDHM C[C@H]1CN(C)C(=O)CN1Cc1ccc(Cl)cc1[O-] ZINC001140464548 896201883 /nfs/dbraw/zinc/20/18/83/896201883.db2.gz UJWQESYWEYVZCH-VIFPVBQESA-N -1 3 268.744 1.708 20 10 CDCDHM [O-]c1cc(O)c(CN2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC001232258923 912065610 /nfs/dbraw/zinc/06/56/10/912065610.db2.gz DOIZRLNZGBNJRY-AWEZNQCLSA-N -1 3 299.754 1.743 20 10 CDCDHM CCOC(=O)[C@H]1C(=O)CCCN1Cc1cc(F)ccc1[O-] ZINC001140055152 936674562 /nfs/dbraw/zinc/67/45/62/936674562.db2.gz LMJWLUZZCKPRDB-CQSZACIVSA-N -1 3 295.310 1.628 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000691457654 928878988 /nfs/dbraw/zinc/87/89/88/928878988.db2.gz OIPLVRRJCXJMHQ-OUAUKWLOSA-N -1 3 277.320 1.331 20 10 CDCDHM COc1nc(Cl)ncc1NC(=O)c1cccc(O)c1[O-] ZINC001148212242 932668388 /nfs/dbraw/zinc/66/83/88/932668388.db2.gz SSLZNQDTIGUYFA-UHFFFAOYSA-N -1 3 295.682 1.802 20 10 CDCDHM Cc1nnc2cc(NC(=O)c3cccc(O)c3[O-])ccn12 ZINC001148212391 932669157 /nfs/dbraw/zinc/66/91/57/932669157.db2.gz YPDKKJWOCNGNTP-UHFFFAOYSA-N -1 3 284.275 1.701 20 10 CDCDHM O=C(Nc1cc(Cl)c[nH]c1=O)c1cc(O)c([O-])c(O)c1 ZINC001148582178 932751566 /nfs/dbraw/zinc/75/15/66/932751566.db2.gz ZKADQSOVDVJFFL-UHFFFAOYSA-N -1 3 296.666 1.810 20 10 CDCDHM CC(=O)OC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203657111 939699655 /nfs/dbraw/zinc/69/96/55/939699655.db2.gz DVGWDGZPZIWZGU-UHFFFAOYSA-N -1 3 255.701 1.793 20 10 CDCDHM C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H]1CO ZINC001231447466 942894107 /nfs/dbraw/zinc/89/41/07/942894107.db2.gz UXLQJTPJFFGGDA-ZWNOBZJWSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H]1CO ZINC001231447466 942894112 /nfs/dbraw/zinc/89/41/12/942894112.db2.gz UXLQJTPJFFGGDA-ZWNOBZJWSA-N -1 3 279.336 1.683 20 10 CDCDHM COC[C@H]1CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453597 942895855 /nfs/dbraw/zinc/89/58/55/942895855.db2.gz MSRQAWUUMPJLQG-LLVKDONJSA-N -1 3 251.282 1.311 20 10 CDCDHM COC[C@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453597 942895856 /nfs/dbraw/zinc/89/58/56/942895856.db2.gz MSRQAWUUMPJLQG-LLVKDONJSA-N -1 3 251.282 1.311 20 10 CDCDHM CC(=O)N[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231564654 942930865 /nfs/dbraw/zinc/93/08/65/942930865.db2.gz VOFGRBKOLVQTJE-ZDUSSCGKSA-N -1 3 292.335 1.191 20 10 CDCDHM O=C1CC[C@@H]2CN(Cc3cc(Cl)c([O-])cc3O)CCN12 ZINC001232262439 943194622 /nfs/dbraw/zinc/19/46/22/943194622.db2.gz HRZGOLQYBTTXMN-SNVBAGLBSA-N -1 3 296.754 1.558 20 10 CDCDHM COc1cc([O-])c(CN2CCCC[C@H]2C(N)=O)cc1Cl ZINC001232265362 943195545 /nfs/dbraw/zinc/19/55/45/943195545.db2.gz URKTWSBRLDXXPM-NSHDSACASA-N -1 3 298.770 1.894 20 10 CDCDHM COc1cc([O-])c(CN2CC(=O)NC[C@H]2C)cc1Cl ZINC001232269084 943196567 /nfs/dbraw/zinc/19/65/67/943196567.db2.gz QNWYOIPSQSQQSC-MRVPVSSYSA-N -1 3 284.743 1.375 20 10 CDCDHM [O-]c1c(CN2CC[C@@H](O)C2)cccc1C(F)(F)F ZINC001233415985 943580904 /nfs/dbraw/zinc/58/09/04/943580904.db2.gz RAYOBYRLKHUMTH-SECBINFHSA-N -1 3 261.243 1.978 20 10 CDCDHM COc1cc([O-])c(CN2CC[C@@H](O)[C@@H](F)C2)c(Cl)c1 ZINC001236799616 944574169 /nfs/dbraw/zinc/57/41/69/944574169.db2.gz SYWZQFKREPKEQB-NWDGAFQWSA-N -1 3 289.734 1.959 20 10 CDCDHM CCOC(=O)[C@@H](NCc1cc(F)ccc1[O-])C1CC1 ZINC001326218808 954272662 /nfs/dbraw/zinc/27/26/62/954272662.db2.gz IVNFLQUJJWTHNF-ZDUSSCGKSA-N -1 3 267.300 1.963 20 10 CDCDHM CCOC(=O)[C@H]1CNCCN1Cc1cccc(Cl)c1[O-] ZINC001329428914 955907421 /nfs/dbraw/zinc/90/74/21/955907421.db2.gz VHYRIQMIQYOBCR-GFCCVEGCSA-N -1 3 298.770 1.383 20 10 CDCDHM O=C([O-])C1CC2(C1)CC[C@@H](C[NH2+]Cc1ccccc1[O-])O2 ZINC001605987549 973038342 /nfs/dbraw/zinc/03/83/42/973038342.db2.gz KKUJHWUKWPMMBE-UYJPIKCFSA-N -1 3 291.347 1.894 20 10 CDCDHM CCN1CC[C@H]1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001596415346 984021008 /nfs/dbraw/zinc/02/10/08/984021008.db2.gz JPEPBQQFYVEHGQ-JQWIXIFHSA-N -1 3 278.352 1.835 20 10 CDCDHM C[C@@H]([NH2+]C/C=C\CO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256482 994522722 /nfs/dbraw/zinc/52/27/22/994522722.db2.gz IIFSHYGVEVUPEX-PKRMOACSSA-N -1 3 251.282 1.290 20 10 CDCDHM COc1ccc2ccc([O-])c(CN3CCNC(=O)C3)c2c1 ZINC000058593357 357408294 /nfs/dbraw/zinc/40/82/94/357408294.db2.gz WEUFYABRINNNFS-UHFFFAOYSA-N -1 3 286.331 1.486 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]2CO)c([O-])c1O ZINC000189512339 358019448 /nfs/dbraw/zinc/01/94/48/358019448.db2.gz GBGSOKDBRGJSBP-KWQFWETISA-N -1 3 265.309 1.249 20 10 CDCDHM COCCN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000123008854 360250779 /nfs/dbraw/zinc/25/07/79/360250779.db2.gz CRAAWSXGBYEREF-UHFFFAOYSA-N -1 3 284.787 1.810 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCN2CCOC[C@@H]2C1 ZINC000375238879 370799998 /nfs/dbraw/zinc/79/99/98/370799998.db2.gz SEBPMOJJBSCXPF-LBPRGKRZSA-N -1 3 282.771 1.562 20 10 CDCDHM Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cccc(O)c1[O-] ZINC000282545347 367934631 /nfs/dbraw/zinc/93/46/31/367934631.db2.gz RWILNQWCNOCVMM-LLVKDONJSA-N -1 3 287.319 1.639 20 10 CDCDHM CC[C@H](NCC(=O)NCC(F)F)c1ccc(F)cc1[O-] ZINC000286375105 368806122 /nfs/dbraw/zinc/80/61/22/368806122.db2.gz AJTDCVYMMHDXNL-JTQLQIEISA-N -1 3 290.285 1.953 20 10 CDCDHM Cc1noc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000286470358 368845678 /nfs/dbraw/zinc/84/56/78/368845678.db2.gz GUNCZSUVMPMVSC-JTQLQIEISA-N -1 3 289.291 1.767 20 10 CDCDHM O=C1N[C@H]2CN(Cc3cc(Cl)ccc3[O-])CC[C@@H]2CO1 ZINC000369720148 369863690 /nfs/dbraw/zinc/86/36/90/369863690.db2.gz FKEMCRGVKRCKLD-SKDRFNHKSA-N -1 3 296.754 1.976 20 10 CDCDHM CS(=O)(=O)[C@@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000274128772 371187952 /nfs/dbraw/zinc/18/79/52/371187952.db2.gz ORYBQCPJBCDWSH-GFCCVEGCSA-N -1 3 287.356 1.540 20 10 CDCDHM CCN(CCC(=O)OC)C(=O)c1cccc(O)c1[O-] ZINC000126732655 284873033 /nfs/dbraw/zinc/87/30/33/284873033.db2.gz TYCPFWCZEHOROW-UHFFFAOYSA-N -1 3 267.281 1.123 20 10 CDCDHM CCCNC(=O)NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109770899 390648039 /nfs/dbraw/zinc/64/80/39/390648039.db2.gz VSIOPXHQKPWMOD-UHFFFAOYSA-N -1 3 279.340 1.060 20 10 CDCDHM Cc1ccc(C(=O)N2CCN(C(C)C)CC2)c([O-])c1O ZINC000177670379 391174029 /nfs/dbraw/zinc/17/40/29/391174029.db2.gz FJJZFMJBRQQTRF-UHFFFAOYSA-N -1 3 278.352 1.572 20 10 CDCDHM CCOC[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182553597 391237147 /nfs/dbraw/zinc/23/71/47/391237147.db2.gz HYQCUYQTNNTUHG-NSHDSACASA-N -1 3 279.336 1.905 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H](C)C[C@H](C)O)c([O-])c1O ZINC000179512756 391208622 /nfs/dbraw/zinc/20/86/22/391208622.db2.gz LSUBQQJLDUBVKJ-SCZZXKLOSA-N -1 3 267.325 1.543 20 10 CDCDHM CO[C@@H](C)CS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000193339564 391337045 /nfs/dbraw/zinc/33/70/45/391337045.db2.gz KVFWTEGEURRFND-ZETCQYMHSA-N -1 3 279.745 1.822 20 10 CDCDHM CCCOc1ccc(CNCC(F)(F)CO)c([O-])c1 ZINC000183869368 391272579 /nfs/dbraw/zinc/27/25/79/391272579.db2.gz MWJAQCAMKOUILG-UHFFFAOYSA-N -1 3 275.295 1.898 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@](C)(C(N)=O)C(C)C)c1[O-] ZINC000289261384 391611832 /nfs/dbraw/zinc/61/18/32/391611832.db2.gz DEGCQPUAVNMNNT-HNNXBMFYSA-N -1 3 296.342 1.724 20 10 CDCDHM Cc1ccc(C(=O)NCC(C)(C)C[C@@H](C)O)c([O-])c1O ZINC000179529103 261793859 /nfs/dbraw/zinc/79/38/59/261793859.db2.gz MAWBGQWMNONGNE-SNVBAGLBSA-N -1 3 281.352 1.933 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N(CCO)CC(F)(F)F ZINC000231321635 1161938464 /nfs/dbraw/zinc/93/84/64/1161938464.db2.gz HRQLFYGJOVPJHD-UHFFFAOYSA-N -1 3 279.214 1.095 20 10 CDCDHM CC(C)(C)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000279450131 518981167 /nfs/dbraw/zinc/98/11/67/518981167.db2.gz VPDAQBVELYEXLU-GFCCVEGCSA-N -1 3 279.336 1.985 20 10 CDCDHM C[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279877383 524780164 /nfs/dbraw/zinc/78/01/64/524780164.db2.gz RKMSVPDFOVIYGO-UWVGGRQHSA-N -1 3 265.309 1.643 20 10 CDCDHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(O)c1[O-] ZINC000279360110 524819588 /nfs/dbraw/zinc/81/95/88/524819588.db2.gz SQLGIPOOYUUAIY-VHSXEESVSA-N -1 3 281.308 1.022 20 10 CDCDHM CCC[C@H](CCO)CNC(=O)c1cccc(O)c1[O-] ZINC000193110133 528124820 /nfs/dbraw/zinc/12/48/20/528124820.db2.gz IQQOUYJTBOYRBU-SNVBAGLBSA-N -1 3 267.325 1.626 20 10 CDCDHM COc1ccc(N2CCN(CC(=O)[O-])CC2)cc1F ZINC000082574216 536694820 /nfs/dbraw/zinc/69/48/20/536694820.db2.gz GZIAAXQLPBSHGW-UHFFFAOYSA-N -1 3 268.288 1.041 20 10 CDCDHM Cn1nnnc1CN(Cc1ccccc1[O-])C1CCCC1 ZINC000732204158 575083461 /nfs/dbraw/zinc/08/34/61/575083461.db2.gz DTQRUMCKTZLDEV-UHFFFAOYSA-N -1 3 287.367 1.861 20 10 CDCDHM CCN(CC)C(=O)CNC(=O)c1cc([O-])cs1 ZINC000732277059 575085866 /nfs/dbraw/zinc/08/58/66/575085866.db2.gz CVIRWELTNTWFQH-UHFFFAOYSA-N -1 3 256.327 1.052 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)Nc1ccc(O)cc1 ZINC000732352603 575088161 /nfs/dbraw/zinc/08/81/61/575088161.db2.gz ADCYJHVCRJOYGH-UHFFFAOYSA-N -1 3 293.300 1.955 20 10 CDCDHM COCCOC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000735117648 575432008 /nfs/dbraw/zinc/43/20/08/575432008.db2.gz AXNAUHHKMBNLJH-UHFFFAOYSA-N -1 3 285.365 1.721 20 10 CDCDHM CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000735520921 575482621 /nfs/dbraw/zinc/48/26/21/575482621.db2.gz SDIDGMRRRGYTFU-VIFPVBQESA-N -1 3 268.338 1.147 20 10 CDCDHM CCc1nnc2n1CCN(Cc1ccccc1[O-])C2 ZINC000772603527 575727476 /nfs/dbraw/zinc/72/74/76/575727476.db2.gz ZLKUGWVQNHRROF-UHFFFAOYSA-N -1 3 258.325 1.562 20 10 CDCDHM [O-]c1cc2c(cc1CN1CCSCC1)[C@@H](O)CO2 ZINC000768439795 576282437 /nfs/dbraw/zinc/28/24/37/576282437.db2.gz NJGAPWJYIMNRSD-LBPRGKRZSA-N -1 3 267.350 1.367 20 10 CDCDHM O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc([O-])cs1 ZINC000769366618 576349023 /nfs/dbraw/zinc/34/90/23/576349023.db2.gz WPFCJWFYCHJYPI-SNVBAGLBSA-N -1 3 297.376 1.912 20 10 CDCDHM COc1cccc([O-])c1CN1CCn2nc(C)nc2C1 ZINC000769448001 576354709 /nfs/dbraw/zinc/35/47/09/576354709.db2.gz WUGZQYKYTKUAKV-UHFFFAOYSA-N -1 3 274.324 1.317 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC(O)(C(F)(F)F)CC1 ZINC000760901678 576523286 /nfs/dbraw/zinc/52/32/86/576523286.db2.gz NXDBIJVUXKXQNI-UHFFFAOYSA-N -1 3 295.282 1.983 20 10 CDCDHM Cn1cc(C[C@@H]2CCN(C(=O)c3cc([O-])cs3)C2)cn1 ZINC000746693306 576789405 /nfs/dbraw/zinc/78/94/05/576789405.db2.gz CSKNJXHWYHFRKZ-JTQLQIEISA-N -1 3 291.376 1.892 20 10 CDCDHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)CN1C1CC1 ZINC000754025043 576873904 /nfs/dbraw/zinc/87/39/04/576873904.db2.gz NSXFHHDXFVVJHM-BDAKNGLRSA-N -1 3 266.366 1.809 20 10 CDCDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1cc([O-])cs1 ZINC000748121338 576896443 /nfs/dbraw/zinc/89/64/43/576896443.db2.gz FYZHQQMZMQXWKL-UHFFFAOYSA-N -1 3 283.265 1.415 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1O ZINC000897680251 621068029 /nfs/dbraw/zinc/06/80/29/621068029.db2.gz HMHWUNUXDNFXHE-RDDDGLTNSA-N -1 3 259.708 1.997 20 10 CDCDHM C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(C(=O)[O-])ccc1[O-] ZINC001604383588 1163171046 /nfs/dbraw/zinc/17/10/46/1163171046.db2.gz DDFRBUZPTBJWMW-VHSXEESVSA-N -1 3 267.325 1.902 20 10 CDCDHM C[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589954682 1173211770 /nfs/dbraw/zinc/21/17/70/1173211770.db2.gz INJPDAVAGZHMTG-GZMMTYOYSA-N -1 3 271.324 1.775 20 10 CDCDHM O=C(N[C@@H](CO)c1cccc(F)c1)c1cccc(O)c1[O-] ZINC000790916975 711912757 /nfs/dbraw/zinc/91/27/57/711912757.db2.gz OWAXMBZPDZDDGL-LBPRGKRZSA-N -1 3 291.278 1.700 20 10 CDCDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(N)cc1 ZINC000841298758 711930682 /nfs/dbraw/zinc/93/06/82/711930682.db2.gz FOPSDPVJQHMZDV-UHFFFAOYSA-N -1 3 281.312 1.664 20 10 CDCDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(N)cc1 ZINC000841298758 711930683 /nfs/dbraw/zinc/93/06/83/711930683.db2.gz FOPSDPVJQHMZDV-UHFFFAOYSA-N -1 3 281.312 1.664 20 10 CDCDHM C[C@@H](N[C@@H](C)C(=O)NCCF)c1c([O-])cccc1F ZINC000886606638 711985037 /nfs/dbraw/zinc/98/50/37/711985037.db2.gz CMIWQQGQTYUWJP-BDAKNGLRSA-N -1 3 272.295 1.656 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253088563 712300457 /nfs/dbraw/zinc/30/04/57/712300457.db2.gz FOGWUDOMMVDSJQ-RAIGVLPGSA-N -1 3 291.347 1.863 20 10 CDCDHM CN(C[C@H]1CCCOC1)C(=O)c1cccc(O)c1[O-] ZINC000126418799 712420312 /nfs/dbraw/zinc/42/03/12/712420312.db2.gz LLPQKPBDFHHIFU-SNVBAGLBSA-N -1 3 265.309 1.596 20 10 CDCDHM O=C(NCc1nc2c(s1)CCC2)c1cccc(O)c1[O-] ZINC000719479707 712505955 /nfs/dbraw/zinc/50/59/55/712505955.db2.gz BMWMGQKKWGDOHR-UHFFFAOYSA-N -1 3 290.344 1.973 20 10 CDCDHM O=C(Nc1nc(C2CC2)c[nH]1)c1cccc(O)c1[O-] ZINC000807663458 712679781 /nfs/dbraw/zinc/67/97/81/712679781.db2.gz WCFDDJAMYSSGMJ-UHFFFAOYSA-N -1 3 259.265 1.951 20 10 CDCDHM CCOC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000884734002 712706430 /nfs/dbraw/zinc/70/64/30/712706430.db2.gz NLLPMEJDVGTHOJ-SECBINFHSA-N -1 3 279.292 1.123 20 10 CDCDHM CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607390175 1164164693 /nfs/dbraw/zinc/16/46/93/1164164693.db2.gz QXHAMPJMSWCOCU-VYUIOLGVSA-N -1 3 299.392 1.853 20 10 CDCDHM CCCN1CC(=O)N[C@@H]1c1cc(Br)ccc1[O-] ZINC000840822331 906398285 /nfs/dbraw/zinc/39/82/85/906398285.db2.gz LNDXPWCQEPJZPK-LBPRGKRZSA-N -1 3 299.168 1.995 20 10 CDCDHM COc1cc([O-])c(CN2C[C@@H](F)C[C@H]2CO)c(Cl)c1 ZINC001236799688 916453084 /nfs/dbraw/zinc/45/30/84/916453084.db2.gz VWMUPEPXRLWARR-IUCAKERBSA-N -1 3 289.734 1.959 20 10 CDCDHM COCCN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137833074 936417711 /nfs/dbraw/zinc/41/77/11/936417711.db2.gz RJPIAXMVYMGRBJ-UHFFFAOYSA-N -1 3 268.332 1.295 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001138123678 936473921 /nfs/dbraw/zinc/47/39/21/936473921.db2.gz GPMNMGKQNVLEBD-LEWSCRJBSA-N -1 3 281.327 1.503 20 10 CDCDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(F)ccc(F)c1[O-] ZINC001139683431 936635281 /nfs/dbraw/zinc/63/52/81/936635281.db2.gz IZISBCOFOVWJNM-CHWSQXEVSA-N -1 3 296.317 1.866 20 10 CDCDHM CC(=O)OC1CN(Cc2c([O-])cccc2Cl)C1 ZINC001140344307 936704638 /nfs/dbraw/zinc/70/46/38/936704638.db2.gz HSALMPZNXZDKSQ-UHFFFAOYSA-N -1 3 255.701 1.793 20 10 CDCDHM O=C1CN(Cc2ccc(Cl)cc2[O-])CCCN1 ZINC001140463290 936712617 /nfs/dbraw/zinc/71/26/17/936712617.db2.gz YTFZGAPDNACXKN-UHFFFAOYSA-N -1 3 254.717 1.368 20 10 CDCDHM C[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C[C@H]1O ZINC001140583089 936727517 /nfs/dbraw/zinc/72/75/17/936727517.db2.gz VZCSCUGKCLXTAC-AMIZOPFISA-N -1 3 257.280 1.873 20 10 CDCDHM CN(CC1(C)COC1)C(=O)c1cccc(O)c1[O-] ZINC000702982446 922632560 /nfs/dbraw/zinc/63/25/60/922632560.db2.gz ULNCFYOVQDXZPR-UHFFFAOYSA-N -1 3 251.282 1.206 20 10 CDCDHM O=S(=O)(Cc1ccccn1)[N-]c1ccc(O)cc1F ZINC001197824754 925249013 /nfs/dbraw/zinc/24/90/13/925249013.db2.gz IYUDEBXKGIAGGD-UHFFFAOYSA-N -1 3 282.296 1.868 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](O)[C@@H](F)CC1 ZINC001142508708 937024807 /nfs/dbraw/zinc/02/48/07/937024807.db2.gz IWKKYDOPSKWXKH-CABZTGNLSA-N -1 3 275.270 1.965 20 10 CDCDHM CCOC(=O)C(CC)(CC)NC(=O)c1cccc(O)c1[O-] ZINC000817082602 930436458 /nfs/dbraw/zinc/43/64/58/930436458.db2.gz ULSYYAJUOGEKJL-UHFFFAOYSA-N -1 3 295.335 1.950 20 10 CDCDHM C[C@@H](NCC(=O)NCC1CC1)c1c([O-])cccc1F ZINC000886586789 930912960 /nfs/dbraw/zinc/91/29/60/930912960.db2.gz XHFPELUFFFJNME-SECBINFHSA-N -1 3 266.316 1.708 20 10 CDCDHM CC(=O)N1CCC[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1 ZINC001148218981 932670389 /nfs/dbraw/zinc/67/03/89/932670389.db2.gz QEFXCRGLZAYBFC-LLVKDONJSA-N -1 3 292.335 1.181 20 10 CDCDHM CN1CCN(Cc2cc(Cl)c([O-])cc2O)CCC1=O ZINC001232267013 943197753 /nfs/dbraw/zinc/19/77/53/943197753.db2.gz HMWQGTKTZSNJDK-UHFFFAOYSA-N -1 3 284.743 1.415 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2c([O-])ccc(F)c2F)C[C@@H]1O ZINC001233332422 943545249 /nfs/dbraw/zinc/54/52/49/943545249.db2.gz KSZGRGVDLPMEOZ-JSGCOSHPSA-N -1 3 287.306 1.236 20 10 CDCDHM COC(=O)CC[C@H](C)NCC(=O)c1ccc([O-])c(O)c1 ZINC001258361812 948786449 /nfs/dbraw/zinc/78/64/49/948786449.db2.gz WSYRCJSWAQZEFV-VIFPVBQESA-N -1 3 281.308 1.212 20 10 CDCDHM C[C@@H]([NH2+]CC1(CCO)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248749 994474070 /nfs/dbraw/zinc/47/40/70/994474070.db2.gz LQFDXNDZOOQZGI-SNVBAGLBSA-N -1 3 279.336 1.904 20 10 CDCDHM COC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072952761 291082021 /nfs/dbraw/zinc/08/20/21/291082021.db2.gz ZNDJHEPVZMZRKK-ZDUSSCGKSA-N -1 3 279.336 1.546 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCOC2(CCOCC2)C1 ZINC000180259097 357255732 /nfs/dbraw/zinc/25/57/32/357255732.db2.gz GRGJFSZYVCZWMW-UHFFFAOYSA-N -1 3 281.327 1.913 20 10 CDCDHM CCOc1ccc([O-])c([C@@H]2NC(=O)CN2CC)c1 ZINC000189891298 358044315 /nfs/dbraw/zinc/04/43/15/358044315.db2.gz WTVNBFHICNBSKC-CYBMUJFWSA-N -1 3 250.298 1.241 20 10 CDCDHM O=C1OCC[C@@]12CCCN2Cc1cc(F)ccc1[O-] ZINC000190042142 358050984 /nfs/dbraw/zinc/05/09/84/358050984.db2.gz LSCOUYCXRYHXCH-AWEZNQCLSA-N -1 3 265.284 1.813 20 10 CDCDHM CN(Cc1ccccc1O)c1nc2nncc-2c(O)[n-]1 ZINC000302603243 364528191 /nfs/dbraw/zinc/52/81/91/364528191.db2.gz CRINOPGFNUMGQV-UHFFFAOYSA-N -1 3 271.280 1.401 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H](O)C(F)(F)F)c([O-])c1O ZINC000272723063 365366365 /nfs/dbraw/zinc/36/63/65/365366365.db2.gz HTFRHTPBXKNXQV-SSDOTTSWSA-N -1 3 279.214 1.059 20 10 CDCDHM Cn1cnnc1[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193151258 365416452 /nfs/dbraw/zinc/41/64/52/365416452.db2.gz HZDTWURXHPKSHK-SNVBAGLBSA-N -1 3 288.307 1.204 20 10 CDCDHM CC[C@@H](C)NC(=O)CN(C)Cc1ccccc1[O-] ZINC000171937064 365433344 /nfs/dbraw/zinc/43/33/44/365433344.db2.gz TVKRLTJQHSEFIG-LLVKDONJSA-N -1 3 250.342 1.739 20 10 CDCDHM Cc1ccc(C(=O)NCC2([C@@H](O)C(C)C)CC2)c([O-])c1O ZINC000272937926 365451020 /nfs/dbraw/zinc/45/10/20/365451020.db2.gz GZWVNRLZYSUXOQ-AWEZNQCLSA-N -1 3 293.363 1.933 20 10 CDCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ncc[nH]1 ZINC000283035929 368157422 /nfs/dbraw/zinc/15/74/22/368157422.db2.gz OZHAUAMBBHKBMA-LLVKDONJSA-N -1 3 275.308 1.948 20 10 CDCDHM CC(C)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCCO1 ZINC000294371703 371362410 /nfs/dbraw/zinc/36/24/10/371362410.db2.gz KZSYVMUQMFSHRR-CYBMUJFWSA-N -1 3 279.336 1.985 20 10 CDCDHM COC[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182122549 391230901 /nfs/dbraw/zinc/23/09/01/391230901.db2.gz DXVOMSSONZROIG-SECBINFHSA-N -1 3 253.298 1.513 20 10 CDCDHM Cc1ccc(C(=O)N(C)C[C@H]2CCCOC2)c([O-])c1O ZINC000182403021 391234855 /nfs/dbraw/zinc/23/48/55/391234855.db2.gz JWZHEMYVQNCWKJ-LLVKDONJSA-N -1 3 279.336 1.905 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H](O)CC(C)(C)C)c([O-])c1O ZINC000182466038 391234995 /nfs/dbraw/zinc/23/49/95/391234995.db2.gz WCSIBBOLJOJPRI-SNVBAGLBSA-N -1 3 281.352 1.933 20 10 CDCDHM COCC[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179468988 391206566 /nfs/dbraw/zinc/20/65/66/391206566.db2.gz LRGAAXQAQYBLCL-SECBINFHSA-N -1 3 253.298 1.561 20 10 CDCDHM COC[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179496945 391208582 /nfs/dbraw/zinc/20/85/82/391208582.db2.gz ZHVOHEJVBKXZJX-LLVKDONJSA-N -1 3 279.336 1.905 20 10 CDCDHM O=C(NC[C@H]1CCCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000126622462 260354487 /nfs/dbraw/zinc/35/44/87/260354487.db2.gz QIBGZORVRMFESH-KOLCDFICSA-N -1 3 265.309 1.379 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCCOCC2)c([O-])c1O ZINC000182995153 261959022 /nfs/dbraw/zinc/95/90/22/261959022.db2.gz SDDNNOMRDWEWCB-JTQLQIEISA-N -1 3 265.309 1.705 20 10 CDCDHM C[C@H]1COCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000278690538 328229472 /nfs/dbraw/zinc/22/94/72/328229472.db2.gz UTQXTMVXBZBUCU-WCBMZHEXSA-N -1 3 251.282 1.253 20 10 CDCDHM O=C(Nc1cccnc1-n1cncn1)c1cccc(O)c1[O-] ZINC000040821559 329559767 /nfs/dbraw/zinc/55/97/67/329559767.db2.gz NPKJFMRCXGLGOY-UHFFFAOYSA-N -1 3 297.274 1.326 20 10 CDCDHM CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000280531081 521217444 /nfs/dbraw/zinc/21/74/44/521217444.db2.gz RQUXKFFUZTXOEK-SECBINFHSA-N -1 3 293.241 1.483 20 10 CDCDHM CC(C)[C@@H](O)C1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000279845385 519800188 /nfs/dbraw/zinc/80/01/88/519800188.db2.gz OKWSXMKNQLCJPG-CYBMUJFWSA-N -1 3 279.336 1.625 20 10 CDCDHM CC(C)[C@H](O)C1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000279845393 519822642 /nfs/dbraw/zinc/82/26/42/519822642.db2.gz OKWSXMKNQLCJPG-ZDUSSCGKSA-N -1 3 279.336 1.625 20 10 CDCDHM CNC(=O)[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050154508 521751251 /nfs/dbraw/zinc/75/12/51/521751251.db2.gz JQKBUVULTMUUPW-CYBMUJFWSA-N -1 3 294.326 1.444 20 10 CDCDHM COc1c([O-])c(CN2CC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000278151231 521873253 /nfs/dbraw/zinc/87/32/53/521873253.db2.gz CGAWOFSPXHCKNM-JTQLQIEISA-N -1 3 282.296 1.530 20 10 CDCDHM COCC[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000292062154 521990371 /nfs/dbraw/zinc/99/03/71/521990371.db2.gz CCDNJCMFKAAGCT-NSHDSACASA-N -1 3 295.335 1.284 20 10 CDCDHM CN(Cc1c([O-])cccc1Cl)CC(C)(CO)CO ZINC000128061808 523158512 /nfs/dbraw/zinc/15/85/12/523158512.db2.gz VRXWSUKKIDSQLJ-UHFFFAOYSA-N -1 3 273.760 1.468 20 10 CDCDHM COC(=O)C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000127213296 523301729 /nfs/dbraw/zinc/30/17/29/523301729.db2.gz JVBYRAZONWMEDA-SNVBAGLBSA-N -1 3 299.754 1.810 20 10 CDCDHM C[C@H](CO)N(CC1CCC1)C(=O)c1cccc(O)c1[O-] ZINC000280640151 524542854 /nfs/dbraw/zinc/54/28/54/524542854.db2.gz CHJBODYVDKMVCW-SNVBAGLBSA-N -1 3 279.336 1.721 20 10 CDCDHM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cccc(O)c1[O-] ZINC000193164465 526939162 /nfs/dbraw/zinc/93/91/62/526939162.db2.gz GKFLKORRCNLQEN-MFKMUULPSA-N -1 3 277.320 1.785 20 10 CDCDHM CN(CCc1cnccn1)C(=O)c1cc([O-])cs1 ZINC000771417792 575578198 /nfs/dbraw/zinc/57/81/98/575578198.db2.gz SSKGNAHOBAVORP-UHFFFAOYSA-N -1 3 263.322 1.558 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CC[S@](=O)C1 ZINC000762924155 575015661 /nfs/dbraw/zinc/01/56/61/575015661.db2.gz YKLFCJRGATUDFD-RBHXEPJQSA-N -1 3 273.379 1.294 20 10 CDCDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)CCS1(=O)=O ZINC000760918798 576525061 /nfs/dbraw/zinc/52/50/61/576525061.db2.gz CQRGWOGTPOYTKD-QMMMGPOBSA-N -1 3 289.378 1.103 20 10 CDCDHM C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc([O-])cs1 ZINC000754046073 576875619 /nfs/dbraw/zinc/87/56/19/576875619.db2.gz OLJPBQYPBDCGGS-SCZZXKLOSA-N -1 3 271.338 1.378 20 10 CDCDHM C[C@H](CN[C@@H](C)c1cc(F)cc(F)c1[O-])S(C)(=O)=O ZINC000756770100 577003634 /nfs/dbraw/zinc/00/36/34/577003634.db2.gz QPTSIXPPAJNHEC-SFYZADRCSA-N -1 3 293.335 1.754 20 10 CDCDHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000758348396 577100636 /nfs/dbraw/zinc/10/06/36/577100636.db2.gz VAOZMPPSJIPGOV-KCJUWKMLSA-N -1 3 266.366 1.666 20 10 CDCDHM O=C(NCc1cn2ccccc2n1)c1cccc(O)c1[O-] ZINC000790486444 1162156392 /nfs/dbraw/zinc/15/63/92/1162156392.db2.gz OODSOSLRARUNQP-UHFFFAOYSA-N -1 3 283.287 1.676 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CC(C)(C)OC1=O ZINC000817072168 1164176580 /nfs/dbraw/zinc/17/65/80/1164176580.db2.gz YSPXCXCNKLVYNX-SECBINFHSA-N -1 3 279.292 1.264 20 10 CDCDHM CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609682791 1165039146 /nfs/dbraw/zinc/03/91/46/1165039146.db2.gz MNTMMBKHUURIDI-JTQLQIEISA-N -1 3 294.351 1.513 20 10 CDCDHM C[C@@H]([NH2+]CCC1(C)OCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609775251 1165075646 /nfs/dbraw/zinc/07/56/46/1165075646.db2.gz CDRRLMYUNFLTMH-SNVBAGLBSA-N -1 3 295.335 1.894 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001138123677 936473467 /nfs/dbraw/zinc/47/34/67/936473467.db2.gz GPMNMGKQNVLEBD-GDLCADMTSA-N -1 3 281.327 1.503 20 10 CDCDHM C[C@H]1CN(C2CN(Cc3cccc(F)c3[O-])C2)C[C@H](C)O1 ZINC001138130569 936475526 /nfs/dbraw/zinc/47/55/26/936475526.db2.gz CTGMSABKUVTYJR-RYUDHWBXSA-N -1 3 294.370 1.825 20 10 CDCDHM NC(=O)[C@@H]1C[C@H](F)CN1Cc1c([O-])cccc1Cl ZINC001140341333 936703320 /nfs/dbraw/zinc/70/33/20/936703320.db2.gz HTQZZFYLOUGMFS-XVKPBYJWSA-N -1 3 272.707 1.443 20 10 CDCDHM CN1C(=O)COCC12CN(Cc1c([O-])cccc1Cl)C2 ZINC001273108635 922014951 /nfs/dbraw/zinc/01/49/51/922014951.db2.gz WPXPVWZSNMZAMF-UHFFFAOYSA-N -1 3 296.754 1.089 20 10 CDCDHM CN(Cc1c([O-])cccc1F)C1CCS(=O)(=O)CC1 ZINC001137838532 923030742 /nfs/dbraw/zinc/03/07/42/923030742.db2.gz CAMFSDJXCRDYMJ-UHFFFAOYSA-N -1 3 287.356 1.540 20 10 CDCDHM O=C(NCc1cnc[nH]1)c1cc(O)c([O-])c(Cl)c1 ZINC001193590343 923788876 /nfs/dbraw/zinc/78/88/76/923788876.db2.gz YUCDUPJIUFWXNO-UHFFFAOYSA-N -1 3 267.672 1.404 20 10 CDCDHM CCNC(=O)[C@@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142530992 937028170 /nfs/dbraw/zinc/02/81/70/937028170.db2.gz NIUYQOYCWDOVFK-LBPRGKRZSA-N -1 3 284.306 1.771 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](F)[C@@H](O)CC1 ZINC001139683193 937401584 /nfs/dbraw/zinc/40/15/84/937401584.db2.gz BCLDGXDTEGLHJS-PWSUYJOCSA-N -1 3 275.270 1.965 20 10 CDCDHM CC(C)NC(=O)CN[C@@H](C)c1c([O-])cccc1F ZINC000886493553 930893087 /nfs/dbraw/zinc/89/30/87/930893087.db2.gz QBMNPEWCHOPKBZ-VIFPVBQESA-N -1 3 254.305 1.707 20 10 CDCDHM Cc1cc(C[C@@H](C)NC(=O)c2cccc(O)c2[O-])on1 ZINC001148212894 932669199 /nfs/dbraw/zinc/66/91/99/932669199.db2.gz NAQHMRFRXVPBGL-MRVPVSSYSA-N -1 3 276.292 1.755 20 10 CDCDHM C[Si](C)(C)CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589648 932752547 /nfs/dbraw/zinc/75/25/47/932752547.db2.gz GATALUNXZXGNKH-UHFFFAOYSA-N -1 3 255.346 1.411 20 10 CDCDHM CCc1nnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000189865246 934475441 /nfs/dbraw/zinc/47/54/41/934475441.db2.gz HHTSIFKGSHMZHR-UHFFFAOYSA-N -1 3 265.294 1.764 20 10 CDCDHM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000795349016 934804055 /nfs/dbraw/zinc/80/40/55/934804055.db2.gz SBXIUHNEDHPDJA-UHFFFAOYSA-N -1 3 285.300 1.374 20 10 CDCDHM Cc1nnsc1C(=O)NCc1c([O-])cccc1F ZINC001156170401 938327514 /nfs/dbraw/zinc/32/75/14/938327514.db2.gz MYABEZIWEXJOHB-UHFFFAOYSA-N -1 3 267.285 1.621 20 10 CDCDHM C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])[C@@H]1CO ZINC001231560459 942925519 /nfs/dbraw/zinc/92/55/19/942925519.db2.gz IPOICYROPMSHQF-ZWNOBZJWSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])[C@@H]1CO ZINC001231560459 942925524 /nfs/dbraw/zinc/92/55/24/942925524.db2.gz IPOICYROPMSHQF-ZWNOBZJWSA-N -1 3 279.336 1.683 20 10 CDCDHM CN1CCN(C2CN(Cc3cccc(Cl)c3[O-])C2)CC1 ZINC001231914867 943054281 /nfs/dbraw/zinc/05/42/81/943054281.db2.gz SZPXTCVRTWPHLB-UHFFFAOYSA-N -1 3 295.814 1.477 20 10 CDCDHM COc1cc([O-])c(CN2C[C@@H](F)C[C@H]2CO)cc1Cl ZINC001232266939 943197167 /nfs/dbraw/zinc/19/71/67/943197167.db2.gz SXBPRLBVCYUNDX-UWVGGRQHSA-N -1 3 289.734 1.959 20 10 CDCDHM NC(=O)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001303877794 956129069 /nfs/dbraw/zinc/12/90/69/956129069.db2.gz HLJVDDJVGGZOIK-UHFFFAOYSA-N -1 3 288.278 1.560 20 10 CDCDHM Cn1nnc2c1ncnc2NCc1c([O-])cccc1F ZINC001307214504 956377910 /nfs/dbraw/zinc/37/79/10/956377910.db2.gz HSVSXBMHIGPOLE-UHFFFAOYSA-N -1 3 274.259 1.215 20 10 CDCDHM COC[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001593966361 956546268 /nfs/dbraw/zinc/54/62/68/956546268.db2.gz AZNDALGRMMFKMY-HNNXBMFYSA-N -1 3 279.336 1.624 20 10 CDCDHM COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001593966361 956546277 /nfs/dbraw/zinc/54/62/77/956546277.db2.gz AZNDALGRMMFKMY-HNNXBMFYSA-N -1 3 279.336 1.624 20 10 CDCDHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(F)c(F)cc1[O-] ZINC001308691335 956565696 /nfs/dbraw/zinc/56/56/96/956565696.db2.gz BQQZRDAOECFHET-PWZJLYFZSA-N -1 3 296.317 1.756 20 10 CDCDHM O=C(NCCn1cccn1)NCc1c([O-])cccc1F ZINC001312014292 956779635 /nfs/dbraw/zinc/77/96/35/956779635.db2.gz ZKFAQPVSXGHWNX-UHFFFAOYSA-N -1 3 278.287 1.227 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ncon1 ZINC000848113761 968721532 /nfs/dbraw/zinc/72/15/32/968721532.db2.gz LUEWKFTUMYBRTE-SECBINFHSA-N -1 3 275.264 1.458 20 10 CDCDHM [O-]c1c(CN2CC[C@H](N3CCOCC3)C2)ccc(F)c1F ZINC000876619062 970033887 /nfs/dbraw/zinc/03/38/87/970033887.db2.gz NNIJMOSNYQIJQP-LBPRGKRZSA-N -1 3 298.333 1.577 20 10 CDCDHM C[C@@H]([NH2+]CC(C)(C)O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240893 994433127 /nfs/dbraw/zinc/43/31/27/994433127.db2.gz TUKYINAOTBINST-MRVPVSSYSA-N -1 3 253.298 1.512 20 10 CDCDHM C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593261107 994548529 /nfs/dbraw/zinc/54/85/29/994548529.db2.gz KOMNAEVPVYDKQV-CPCISQLKSA-N -1 3 289.278 1.757 20 10 CDCDHM C[C@H]([NH2+]CCN(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266162 994577873 /nfs/dbraw/zinc/57/78/73/994577873.db2.gz ARJFCCKYIZOJHK-VIFPVBQESA-N -1 3 252.314 1.303 20 10 CDCDHM COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(F)ccc1[O-] ZINC000188787910 357937095 /nfs/dbraw/zinc/93/70/95/357937095.db2.gz YPGUNYQQPGBQBA-QWHCGFSZSA-N -1 3 283.299 1.030 20 10 CDCDHM C[C@@H]1CN(Cc2ccccc2[O-])CCS(=O)(=O)C1 ZINC000192067870 358173011 /nfs/dbraw/zinc/17/30/11/358173011.db2.gz YJXMQRMFDFNYDQ-LLVKDONJSA-N -1 3 269.366 1.259 20 10 CDCDHM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000193014436 358257962 /nfs/dbraw/zinc/25/79/62/358257962.db2.gz BDYLJHFAGJFJRQ-MRVPVSSYSA-N -1 3 275.308 1.631 20 10 CDCDHM COC(=O)[C@@H](C)NCc1cc(Br)ccc1[O-] ZINC000193094500 358264148 /nfs/dbraw/zinc/26/41/48/358264148.db2.gz ALLFRXPECZIWES-SSDOTTSWSA-N -1 3 288.141 1.806 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@H](C)C(C)(C)O)c([O-])c1O ZINC000297064166 200075219 /nfs/dbraw/zinc/07/52/19/200075219.db2.gz WLCHLHRCFCFGNJ-SECBINFHSA-N -1 3 267.325 1.638 20 10 CDCDHM Cc1ccc(C(=O)N2CCC(CC(N)=O)CC2)c([O-])c1O ZINC000271247354 364978093 /nfs/dbraw/zinc/97/80/93/364978093.db2.gz GLEPTNYAMDKLPG-UHFFFAOYSA-N -1 3 292.335 1.134 20 10 CDCDHM COCCN(CC(F)F)C(=O)c1ccc(C)c(O)c1[O-] ZINC000271315245 364980680 /nfs/dbraw/zinc/98/06/80/364980680.db2.gz WIDIYXUNVNVUGU-UHFFFAOYSA-N -1 3 289.278 1.760 20 10 CDCDHM Cc1ccc(C(=O)N2CCc3n[nH]cc3C2)c([O-])c1O ZINC000271312441 364980699 /nfs/dbraw/zinc/98/06/99/364980699.db2.gz VTVFAJIOBPMQFY-UHFFFAOYSA-N -1 3 273.292 1.328 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H](C)C2)c([O-])c1O ZINC000272962137 365461605 /nfs/dbraw/zinc/46/16/05/365461605.db2.gz JSUIOFLQRYRPSV-UWVGGRQHSA-N -1 3 265.309 1.704 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)c([O-])c1O ZINC000272869595 365425473 /nfs/dbraw/zinc/42/54/73/365425473.db2.gz WBJUTWCQHCLKDO-SNVBAGLBSA-N -1 3 292.335 1.145 20 10 CDCDHM CCCNC(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273425731 365495213 /nfs/dbraw/zinc/49/52/13/365495213.db2.gz TZXTUQOKJYKKPA-VIFPVBQESA-N -1 3 281.312 1.477 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC(=O)NCC2(C)C)c1[O-] ZINC000282400913 367866901 /nfs/dbraw/zinc/86/69/01/367866901.db2.gz BWRJEGCXBXAIFV-UHFFFAOYSA-N -1 3 294.326 1.444 20 10 CDCDHM COc1ccc(N(C)C(=O)/C=C/c2cncc([O-])c2)cn1 ZINC000181929739 391196333 /nfs/dbraw/zinc/19/63/33/391196333.db2.gz ISVLLWJYLZGGTC-ZZXKWVIFSA-N -1 3 285.303 1.867 20 10 CDCDHM CN(C)C(=O)CNCc1cc(Br)ccc1[O-] ZINC000163754383 261328765 /nfs/dbraw/zinc/32/87/65/261328765.db2.gz LMQMLPXUKARKQJ-UHFFFAOYSA-N -1 3 287.157 1.333 20 10 CDCDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000276885442 328219798 /nfs/dbraw/zinc/21/97/98/328219798.db2.gz GQENYVDEKDBZGY-PELKAZGASA-N -1 3 297.305 1.788 20 10 CDCDHM C[C@@H]1COCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000278690530 328229607 /nfs/dbraw/zinc/22/96/07/328229607.db2.gz UTQXTMVXBZBUCU-PSASIEDQSA-N -1 3 251.282 1.253 20 10 CDCDHM O=C(NCc1ncccc1F)c1cccc(O)c1[O-] ZINC000790903944 1162176502 /nfs/dbraw/zinc/17/65/02/1162176502.db2.gz QBUMDBQTMALTDP-UHFFFAOYSA-N -1 3 262.240 1.562 20 10 CDCDHM Cc1ccc(C(=O)N2CC(C(C)(C)O)C2)c([O-])c1O ZINC000275664138 526079555 /nfs/dbraw/zinc/07/95/55/526079555.db2.gz RGRDCVYBGVFHMT-UHFFFAOYSA-N -1 3 265.309 1.249 20 10 CDCDHM O=C(NC[C@@H](O)COc1ccccc1)c1cc([O-])cs1 ZINC000731869805 575066890 /nfs/dbraw/zinc/06/68/90/575066890.db2.gz WIHIMPRBTHMGQY-LLVKDONJSA-N -1 3 293.344 1.623 20 10 CDCDHM CC(C)[C@H](CNC(=O)c1cc([O-])cs1)N1CCOCC1 ZINC000731867447 575068456 /nfs/dbraw/zinc/06/84/56/575068456.db2.gz KRDYRXIGNRFAOC-LBPRGKRZSA-N -1 3 298.408 1.540 20 10 CDCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC1CC1 ZINC000731912274 575070414 /nfs/dbraw/zinc/07/04/14/575070414.db2.gz SXLBJSYDALJFAL-LURJTMIESA-N -1 3 255.295 1.278 20 10 CDCDHM CCCNC(=O)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732266586 575084772 /nfs/dbraw/zinc/08/47/72/575084772.db2.gz HSUZIPRFAGKYGF-UHFFFAOYSA-N -1 3 296.392 1.832 20 10 CDCDHM C[C@H]1C[C@@H](CNC(=O)c2cc([O-])cs2)CCO1 ZINC000771416150 575577092 /nfs/dbraw/zinc/57/70/92/575577092.db2.gz LHLZSIIGPRLNKF-IUCAKERBSA-N -1 3 255.339 1.999 20 10 CDCDHM COc1cccc(CNc2ncccc2-c2nnn[n-]2)c1O ZINC000737131487 575829207 /nfs/dbraw/zinc/82/92/07/575829207.db2.gz DKIUGHRHJVEGDM-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1cccc(CNc2ncccc2-c2nn[n-]n2)c1O ZINC000737131487 575829210 /nfs/dbraw/zinc/82/92/10/575829210.db2.gz DKIUGHRHJVEGDM-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM CC1(C)C[C@@H](NC(=O)c2cc([O-])cs2)C(=O)O1 ZINC000765149712 575992041 /nfs/dbraw/zinc/99/20/41/575992041.db2.gz PSLVNDTXAQAMKI-SSDOTTSWSA-N -1 3 255.295 1.278 20 10 CDCDHM C[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768442595 576283345 /nfs/dbraw/zinc/28/33/45/576283345.db2.gz UPPYBQLEORUDCF-ZANVPECISA-N -1 3 265.309 1.039 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)[C@@H]1CCCOC1 ZINC000769104192 576330251 /nfs/dbraw/zinc/33/02/51/576330251.db2.gz VRIISHZSUWSUQG-MRVPVSSYSA-N -1 3 270.306 1.606 20 10 CDCDHM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)[C@]12CCCO2 ZINC000760455157 576485365 /nfs/dbraw/zinc/48/53/65/576485365.db2.gz RUVTUZKDTGQRFM-OUCADQQQSA-N -1 3 297.376 1.910 20 10 CDCDHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccccc2O)c1 ZINC000754021966 576874096 /nfs/dbraw/zinc/87/40/96/576874096.db2.gz MDXCDCFOQDKOLQ-UHFFFAOYSA-N -1 3 295.364 1.648 20 10 CDCDHM CC(C)(C)N1C[C@H](NC(=O)c2cc([O-])cs2)CC1=O ZINC000752816622 577129524 /nfs/dbraw/zinc/12/95/24/577129524.db2.gz LPVIATXDEKANTH-MRVPVSSYSA-N -1 3 282.365 1.583 20 10 CDCDHM C[C@@H]1[C@H](CO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000840558816 617977873 /nfs/dbraw/zinc/97/78/73/617977873.db2.gz KOAVYZIUCNSHQI-ZJUUUORDSA-N -1 3 265.309 1.331 20 10 CDCDHM C[C@@H](O)CCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604383585 1163170438 /nfs/dbraw/zinc/17/04/38/1163170438.db2.gz DDFRBUZPTBJWMW-NXEZZACHSA-N -1 3 267.325 1.902 20 10 CDCDHM COC[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])OC ZINC001606800030 1163998147 /nfs/dbraw/zinc/99/81/47/1163998147.db2.gz CILAZTXTBSJCLS-MWLCHTKSSA-N -1 3 283.324 1.402 20 10 CDCDHM COC[C@]1(C(=O)[O-])CCCN1Cc1cccc(OC)c1O ZINC001606833749 1164008143 /nfs/dbraw/zinc/00/81/43/1164008143.db2.gz TYMFHUKUACLKPR-HNNXBMFYSA-N -1 3 295.335 1.466 20 10 CDCDHM O=C(NC[C@@H](O)c1ccccc1)c1cccc(O)c1[O-] ZINC000126613790 1166066532 /nfs/dbraw/zinc/06/65/32/1166066532.db2.gz IUQCHWYKBOGWBO-CYBMUJFWSA-N -1 3 273.288 1.561 20 10 CDCDHM C[C@H]([NH2+]CC1(O)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978157 1173219512 /nfs/dbraw/zinc/21/95/12/1173219512.db2.gz LNLUQVXIUNGNQP-VIFPVBQESA-N -1 3 289.339 1.138 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])c(F)ccc2F)CC[C@@H]1O ZINC001139685854 936635829 /nfs/dbraw/zinc/63/58/29/936635829.db2.gz ZBCLVQZLDJDLTE-UFBFGSQYSA-N -1 3 257.280 1.873 20 10 CDCDHM COc1ncnc2c1CCN(Cc1cc(F)ccc1[O-])C2 ZINC001140055117 936674491 /nfs/dbraw/zinc/67/44/91/936674491.db2.gz JUHSELNJOAAOPG-UHFFFAOYSA-N -1 3 289.310 1.888 20 10 CDCDHM COC[C@@H]1COCCN1Cc1c([O-])cccc1Cl ZINC001140341747 936703403 /nfs/dbraw/zinc/70/34/03/936703403.db2.gz FXVLEROGCIVGQY-SNVBAGLBSA-N -1 3 271.744 1.893 20 10 CDCDHM CC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140468220 936712980 /nfs/dbraw/zinc/71/29/80/936712980.db2.gz ALHGVYSJJAQIHT-ZDUSSCGKSA-N -1 3 269.728 1.835 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CCC(CO)CC1 ZINC001142513122 937025810 /nfs/dbraw/zinc/02/58/10/937025810.db2.gz YLPIENMMBAUHFN-UHFFFAOYSA-N -1 3 257.280 1.875 20 10 CDCDHM O=C(NCc1ccccc1O)c1cnc2cccnc2c1[O-] ZINC001153860067 937477834 /nfs/dbraw/zinc/47/78/34/937477834.db2.gz JFQPSIBMFCZNTM-UHFFFAOYSA-N -1 3 295.298 1.559 20 10 CDCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])no1 ZINC001148213136 932668722 /nfs/dbraw/zinc/66/87/22/932668722.db2.gz XGVJJNWCPGYOFG-UHFFFAOYSA-N -1 3 250.210 1.347 20 10 CDCDHM CN1Cc2cccc(NC(=O)c3cccc(O)c3[O-])c2C1=O ZINC001148218522 932670146 /nfs/dbraw/zinc/67/01/46/932670146.db2.gz CYDPJTUDLNOMDF-UHFFFAOYSA-N -1 3 298.298 1.936 20 10 CDCDHM CC(C)(O)CCCNC(=O)c1cccc(O)c1[O-] ZINC001148224904 932672228 /nfs/dbraw/zinc/67/22/28/932672228.db2.gz ZERFIPCKTDGAJF-UHFFFAOYSA-N -1 3 253.298 1.379 20 10 CDCDHM C[C@@]1(NC(=O)c2cccc(O)c2[O-])CCCOC1 ZINC000235437928 932730813 /nfs/dbraw/zinc/73/08/13/932730813.db2.gz YONCNAXDGSVPGD-CYBMUJFWSA-N -1 3 251.282 1.397 20 10 CDCDHM CCn1cc(NC(=O)c2cc(O)c([O-])c(O)c2)cn1 ZINC001148581179 932751224 /nfs/dbraw/zinc/75/12/24/932751224.db2.gz OCTGSAOLTNOAOR-UHFFFAOYSA-N -1 3 263.253 1.272 20 10 CDCDHM CC(C)(O)CCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589731 932752555 /nfs/dbraw/zinc/75/25/55/932752555.db2.gz JBGLJHUBOCZGOY-UHFFFAOYSA-N -1 3 269.297 1.084 20 10 CDCDHM COc1cncc(CNC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148590469 932754099 /nfs/dbraw/zinc/75/40/99/932754099.db2.gz LIHRQZLEDWPBOW-UHFFFAOYSA-N -1 3 290.275 1.137 20 10 CDCDHM CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c([O-])c1Cl ZINC001276527101 940184911 /nfs/dbraw/zinc/18/49/11/940184911.db2.gz FAHJJRIZHHTWIC-DTORHVGOSA-N -1 3 296.754 1.670 20 10 CDCDHM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCOCC1 ZINC001231560697 942925321 /nfs/dbraw/zinc/92/53/21/942925321.db2.gz ORDLNKTZJMPNDQ-UHFFFAOYSA-N -1 3 265.309 1.701 20 10 CDCDHM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCOCC1 ZINC001231560697 942925325 /nfs/dbraw/zinc/92/53/25/942925325.db2.gz ORDLNKTZJMPNDQ-UHFFFAOYSA-N -1 3 265.309 1.701 20 10 CDCDHM O=C([O-])c1ccc(O)c(CN2CC(N3CCCC3)C2)c1 ZINC001231563683 942930000 /nfs/dbraw/zinc/93/00/00/942930000.db2.gz KEAQFLDVOBSAJJ-UHFFFAOYSA-N -1 3 276.336 1.370 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001231568578 942932125 /nfs/dbraw/zinc/93/21/25/942932125.db2.gz NJCJUZFNFJHZPM-DGCLKSJQSA-N -1 3 289.331 1.891 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001231568578 942932128 /nfs/dbraw/zinc/93/21/28/942932128.db2.gz NJCJUZFNFJHZPM-DGCLKSJQSA-N -1 3 289.331 1.891 20 10 CDCDHM COc1cc([O-])c(CN2CC(C)(CO)C2)cc1Cl ZINC001232266982 943196834 /nfs/dbraw/zinc/19/68/34/943196834.db2.gz ULMZACRATSMHAA-UHFFFAOYSA-N -1 3 271.744 1.868 20 10 CDCDHM CCON(CC)C(=O)CNCc1cc(F)c(F)cc1[O-] ZINC001308865014 956593293 /nfs/dbraw/zinc/59/32/93/956593293.db2.gz VKMDHJBDCMVMQY-UHFFFAOYSA-N -1 3 288.294 1.560 20 10 CDCDHM C[C@@H]([NH2+]CCn1cccn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286860 994648937 /nfs/dbraw/zinc/64/89/37/994648937.db2.gz YFQXJZCZQBTARJ-SNVBAGLBSA-N -1 3 275.308 1.638 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H](C)O)c([O-])c1O ZINC000274411875 365655881 /nfs/dbraw/zinc/65/58/81/365655881.db2.gz MKZYUYJUYKBZBE-WDEREUQCSA-N -1 3 295.335 1.018 20 10 CDCDHM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(O)c1[O-] ZINC000126614976 342220682 /nfs/dbraw/zinc/22/06/82/342220682.db2.gz ACTFQBSOWMJVBM-UONOGXRCSA-N -1 3 285.299 1.486 20 10 CDCDHM CC(C)CN1CC(=O)N[C@H]1c1cc2c(cc1[O-])OCO2 ZINC000299212176 356984875 /nfs/dbraw/zinc/98/48/75/356984875.db2.gz DRJYHAQBMJSDJU-CQSZACIVSA-N -1 3 278.308 1.207 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCS(=O)(=O)CC2)c1[O-] ZINC000180033971 357238303 /nfs/dbraw/zinc/23/83/03/357238303.db2.gz POHHUQUGJLXKGR-UHFFFAOYSA-N -1 3 289.784 1.584 20 10 CDCDHM C[C@@H]1CS(=O)(=O)CCN1Cc1cc(F)ccc1[O-] ZINC000180172437 357249951 /nfs/dbraw/zinc/24/99/51/357249951.db2.gz COJUDXHEDNISTC-SECBINFHSA-N -1 3 273.329 1.150 20 10 CDCDHM O=C1NCCCC[C@@H]1NCc1cccc(Cl)c1[O-] ZINC000124697314 360391571 /nfs/dbraw/zinc/39/15/71/360391571.db2.gz KWIYSYOKMSDLHF-NSHDSACASA-N -1 3 268.744 1.804 20 10 CDCDHM CCOC(=O)[C@@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272791772 365399381 /nfs/dbraw/zinc/39/93/81/365399381.db2.gz WZYYUORBISFROO-VIFPVBQESA-N -1 3 281.308 1.335 20 10 CDCDHM C[C@H](N[C@H]1CC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273596440 365509726 /nfs/dbraw/zinc/50/97/26/365509726.db2.gz QUWWAZKRBJKKTG-IUCAKERBSA-N -1 3 279.296 1.182 20 10 CDCDHM CCOC[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000529664830 368087116 /nfs/dbraw/zinc/08/71/16/368087116.db2.gz DYNQSYOXTJQTSO-CYBMUJFWSA-N -1 3 269.316 1.769 20 10 CDCDHM CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000286066307 368690605 /nfs/dbraw/zinc/69/06/05/368690605.db2.gz MDNWLCKXOHQNEO-RKDXNWHRSA-N -1 3 281.308 1.415 20 10 CDCDHM CCOCC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000290622974 390926596 /nfs/dbraw/zinc/92/65/96/390926596.db2.gz LDMNOTZXZBHQHY-UHFFFAOYSA-N -1 3 267.325 1.890 20 10 CDCDHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1O ZINC000177658405 391173017 /nfs/dbraw/zinc/17/30/17/391173017.db2.gz XGERQMVDLKJYHC-AOOOYVTPSA-N -1 3 265.309 1.656 20 10 CDCDHM CCNC(=O)CN(CC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177669289 391173704 /nfs/dbraw/zinc/17/37/04/391173704.db2.gz VCQUDRMMPCVXBN-UHFFFAOYSA-N -1 3 280.324 1.004 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)c([O-])c1O ZINC000177676127 391173786 /nfs/dbraw/zinc/17/37/86/391173786.db2.gz OYDURVBULHXUGH-VIFPVBQESA-N -1 3 294.351 1.439 20 10 CDCDHM Cc1ccc(C(=O)NCC[S@](=O)C(C)(C)C)c([O-])c1O ZINC000177685578 391174911 /nfs/dbraw/zinc/17/49/11/391174911.db2.gz GOVHBBAUNKEAIJ-FQEVSTJZSA-N -1 3 299.392 1.683 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)CN2CCCC2=O)c([O-])c1O ZINC000182149007 391231861 /nfs/dbraw/zinc/23/18/61/391231861.db2.gz BGCJHICZZPRGME-SNVBAGLBSA-N -1 3 292.335 1.147 20 10 CDCDHM CO[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182323803 391232552 /nfs/dbraw/zinc/23/25/52/391232552.db2.gz UWGNOGOOGWMEFB-JTQLQIEISA-N -1 3 265.309 1.657 20 10 CDCDHM CCC(=O)N1CC[C@H](NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182810824 391244826 /nfs/dbraw/zinc/24/48/26/391244826.db2.gz BSSZHVSWDVTDRD-JTQLQIEISA-N -1 3 292.335 1.147 20 10 CDCDHM O=C(N[C@H]1COc2ccccc2C1)c1cccc(O)c1[O-] ZINC000188188053 391277943 /nfs/dbraw/zinc/27/79/43/391277943.db2.gz DVJSNTMQRKIRTB-LLVKDONJSA-N -1 3 285.299 1.831 20 10 CDCDHM Cn1cnnc1CNCc1cc(Br)ccc1[O-] ZINC000227437215 392019187 /nfs/dbraw/zinc/01/91/87/392019187.db2.gz OFBTZEYROMNJDU-UHFFFAOYSA-N -1 3 297.156 1.573 20 10 CDCDHM CCNC(=O)C(C)(C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182854185 397967944 /nfs/dbraw/zinc/96/79/44/397967944.db2.gz VCYVNRWIBNYWKV-UHFFFAOYSA-N -1 3 294.351 1.298 20 10 CDCDHM COc1cc(Cl)cc(CN(C)CC(=O)N(C)C)c1[O-] ZINC000184674846 262291816 /nfs/dbraw/zinc/29/18/16/262291816.db2.gz SQMMIXHEEKOMKK-UHFFFAOYSA-N -1 3 286.759 1.574 20 10 CDCDHM CC(C)(C)[C@@H](CCO)NC(=O)c1cccc(O)c1[O-] ZINC000185906194 262310946 /nfs/dbraw/zinc/31/09/46/262310946.db2.gz KSOAGHYVPWDCRW-LLVKDONJSA-N -1 3 267.325 1.625 20 10 CDCDHM CC(=O)C([O-])=CS(=O)(=O)c1cc(F)c(C)cc1F ZINC000292666985 263133578 /nfs/dbraw/zinc/13/35/78/263133578.db2.gz DILIMBMEYCWBCG-UHFFFAOYSA-N -1 3 276.260 1.205 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@H]2C)c1[O-] ZINC000106358990 278244243 /nfs/dbraw/zinc/24/42/43/278244243.db2.gz LGYVYSZBPDORRZ-MRVPVSSYSA-N -1 3 280.299 1.054 20 10 CDCDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1O ZINC000278565121 328227419 /nfs/dbraw/zinc/22/74/19/328227419.db2.gz BTEGMXPVDCWUAG-BXKDBHETSA-N -1 3 296.323 1.512 20 10 CDCDHM O=C(/C=C/c1cncc([O-])c1)N1CCOc2ccncc21 ZINC000492477176 332399483 /nfs/dbraw/zinc/39/94/83/332399483.db2.gz UUAYJFNETMIUEG-OWOJBTEDSA-N -1 3 283.287 1.621 20 10 CDCDHM CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000275849282 520949669 /nfs/dbraw/zinc/94/96/69/520949669.db2.gz KYGRWYWPEZGGQR-HNNXBMFYSA-N -1 3 292.335 1.229 20 10 CDCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])CC[S@]1=O ZINC000277671926 524271928 /nfs/dbraw/zinc/27/19/28/524271928.db2.gz WDYIYCFCLHMFTQ-UGZDLDLSSA-N -1 3 283.349 1.081 20 10 CDCDHM CS(=O)(=O)[C@H]1CCCCN(Cc2ccccc2[O-])C1 ZINC000278620394 525236115 /nfs/dbraw/zinc/23/61/15/525236115.db2.gz HISGZBMLUUIQED-ZDUSSCGKSA-N -1 3 283.393 1.791 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCOC1 ZINC000126569495 525343837 /nfs/dbraw/zinc/34/38/37/525343837.db2.gz LDAJDXXEWZQKKM-BDAKNGLRSA-N -1 3 251.282 1.253 20 10 CDCDHM C[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000062745931 525588166 /nfs/dbraw/zinc/58/81/66/525588166.db2.gz HXWFWYVFNGHKTM-BDAKNGLRSA-N -1 3 254.305 1.659 20 10 CDCDHM Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)c1[O-] ZINC001600218909 1174415793 /nfs/dbraw/zinc/41/57/93/1174415793.db2.gz GATQFXKWIGTTMJ-CMPLNLGQSA-N -1 3 299.754 1.621 20 10 CDCDHM Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)c1[O-] ZINC001600218909 1174415795 /nfs/dbraw/zinc/41/57/95/1174415795.db2.gz GATQFXKWIGTTMJ-CMPLNLGQSA-N -1 3 299.754 1.621 20 10 CDCDHM Cc1ccc(C[NH+]2CCC([C@@H](O)C(=O)[O-])CC2)c([O-])c1 ZINC001600412608 1174467480 /nfs/dbraw/zinc/46/74/80/1174467480.db2.gz JQQANYOOFVMGJR-CQSZACIVSA-N -1 3 279.336 1.358 20 10 CDCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1nnc2ccccn21 ZINC000732262910 575084549 /nfs/dbraw/zinc/08/45/49/575084549.db2.gz IOXZZCNLNMMZFY-QMMMGPOBSA-N -1 3 288.332 1.987 20 10 CDCDHM COC(=O)N1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732277304 575085938 /nfs/dbraw/zinc/08/59/38/575085938.db2.gz DHRTWGCGJLASLV-UHFFFAOYSA-N -1 3 284.337 1.414 20 10 CDCDHM C[C@H](NC(=O)c1cc([O-])cs1)C(=O)N1CCCC[C@H]1C ZINC000732282343 575086528 /nfs/dbraw/zinc/08/65/28/575086528.db2.gz MKANVABJCNHXFY-ZJUUUORDSA-N -1 3 296.392 1.973 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCCC[C@@H]1C1OCCO1 ZINC000732281717 575086663 /nfs/dbraw/zinc/08/66/63/575086663.db2.gz AJCBCTUSCOAKKO-SNVBAGLBSA-N -1 3 283.349 1.821 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1CN1CCOCC1 ZINC000743728613 576652697 /nfs/dbraw/zinc/65/26/97/576652697.db2.gz UKYHCDQWKNUAAI-NSHDSACASA-N -1 3 296.392 1.391 20 10 CDCDHM COc1cccc([O-])c1CN1CC[S@@](=O)C[C@H](C)C1 ZINC000763646832 576745478 /nfs/dbraw/zinc/74/54/78/576745478.db2.gz COYWJUMGMHMFED-NSPYISDASA-N -1 3 283.393 1.601 20 10 CDCDHM O=C([O-])[C@@H]1C[NH2+]CCCN1Cc1cc(Cl)ccc1[O-] ZINC001601852333 1175037270 /nfs/dbraw/zinc/03/72/70/1175037270.db2.gz FHTUAYMUVJKRBO-NSHDSACASA-N -1 3 284.743 1.294 20 10 CDCDHM CON(C)C(=O)[C@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000862539817 620736430 /nfs/dbraw/zinc/73/64/30/620736430.db2.gz WBQZKCTWIDBENB-ZETCQYMHSA-N -1 3 290.722 1.683 20 10 CDCDHM CC(C)OC[C@H](CO)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894782609 619058649 /nfs/dbraw/zinc/05/86/49/619058649.db2.gz MOHJSAJESHINJB-LBPRGKRZSA-N -1 3 289.322 1.888 20 10 CDCDHM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000897681055 621068858 /nfs/dbraw/zinc/06/88/58/621068858.db2.gz YIHRWUOVYXVULK-JVXZTZIISA-N -1 3 259.708 1.997 20 10 CDCDHM C[C@H]1CCCCN1NC(=O)c1cccc(O)c1[O-] ZINC000912146841 629817704 /nfs/dbraw/zinc/81/77/04/629817704.db2.gz ZZBTVHVLPRZPSQ-VIFPVBQESA-N -1 3 250.298 1.617 20 10 CDCDHM COC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000387335317 679681115 /nfs/dbraw/zinc/68/11/15/679681115.db2.gz PBRKKLUPAYZBKE-UHFFFAOYSA-N -1 3 284.743 1.930 20 10 CDCDHM C[C@H]1SCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000310454733 679695615 /nfs/dbraw/zinc/69/56/15/679695615.db2.gz CONJKHWLVGKLLO-APPZFPTMSA-N -1 3 253.323 1.722 20 10 CDCDHM C[C@@H](NCC(=O)NCC(F)(F)F)c1c([O-])cccc1F ZINC000886514508 677733827 /nfs/dbraw/zinc/73/38/27/677733827.db2.gz RGEZADRXNSGSLR-SSDOTTSWSA-N -1 3 294.248 1.860 20 10 CDCDHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)OC ZINC000817356448 678186103 /nfs/dbraw/zinc/18/61/03/678186103.db2.gz LNTPNWUFONOMRS-VIFPVBQESA-N -1 3 277.317 1.698 20 10 CDCDHM CN1CCN(Cc2c([O-])ccc3ccncc32)CC1=O ZINC000844729701 678357906 /nfs/dbraw/zinc/35/79/06/678357906.db2.gz JNYINXYYNBVJDU-UHFFFAOYSA-N -1 3 271.320 1.214 20 10 CDCDHM CCOC(=O)[C@H](CC1CC1)NC(=O)c1cccc(O)c1[O-] ZINC000832645618 678555778 /nfs/dbraw/zinc/55/57/78/678555778.db2.gz MRUHBPIOOBHIOI-NSHDSACASA-N -1 3 293.319 1.559 20 10 CDCDHM CCOc1ccc(C[NH2+]C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000848637720 678574580 /nfs/dbraw/zinc/57/45/80/678574580.db2.gz LHSUGNBPVFUOLO-SECBINFHSA-N -1 3 253.298 1.601 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cnn(C)c1 ZINC000311984449 678624772 /nfs/dbraw/zinc/62/47/72/678624772.db2.gz MNLVTLWJDIQQPG-QMMMGPOBSA-N -1 3 261.281 1.322 20 10 CDCDHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc(N(C)C)cc1 ZINC000860950293 678734740 /nfs/dbraw/zinc/73/47/40/678734740.db2.gz LCICLSLYKUYJLM-SNVBAGLBSA-N -1 3 286.335 1.739 20 10 CDCDHM CCn1cnc2c1CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000886614764 678886846 /nfs/dbraw/zinc/88/68/46/678886846.db2.gz JLVOMDAQBYOJNM-UHFFFAOYSA-N -1 3 287.319 1.513 20 10 CDCDHM Cn1cccc(NC(=O)c2cccc(O)c2[O-])c1=O ZINC000187089074 678902334 /nfs/dbraw/zinc/90/23/34/678902334.db2.gz VJKFDNOQRMLJNM-UHFFFAOYSA-N -1 3 260.249 1.049 20 10 CDCDHM COC(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])o1 ZINC000791759513 678944733 /nfs/dbraw/zinc/94/47/33/678944733.db2.gz ZERIKWKMHBJMEH-UHFFFAOYSA-N -1 3 291.259 1.407 20 10 CDCDHM CCN(C(=O)c1cccc(O)c1[O-])C(C)(C)C(=O)OC ZINC000886428083 679015189 /nfs/dbraw/zinc/01/51/89/679015189.db2.gz IDXZWPVWKRDZIK-UHFFFAOYSA-N -1 3 281.308 1.512 20 10 CDCDHM Cc1ccc(C(=O)N2CC(=O)Nc3cnccc32)c([O-])c1O ZINC000780953445 679119396 /nfs/dbraw/zinc/11/93/96/679119396.db2.gz WWLKWWQYVADRMS-UHFFFAOYSA-N -1 3 299.286 1.400 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000381431749 679123221 /nfs/dbraw/zinc/12/32/21/679123221.db2.gz USYDVOLRZOZEGC-CQSZACIVSA-N -1 3 283.299 1.454 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000381431749 679123223 /nfs/dbraw/zinc/12/32/23/679123223.db2.gz USYDVOLRZOZEGC-CQSZACIVSA-N -1 3 283.299 1.454 20 10 CDCDHM O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cccc(O)c1[O-] ZINC000790739713 679188125 /nfs/dbraw/zinc/18/81/25/679188125.db2.gz KBMHQAMOPMWBDA-UHFFFAOYSA-N -1 3 298.298 1.636 20 10 CDCDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1c([O-])cccc1F ZINC000886557304 679372767 /nfs/dbraw/zinc/37/27/67/679372767.db2.gz XWQBVCQPTIUQOZ-SKDRFNHKSA-N -1 3 279.315 1.649 20 10 CDCDHM COCC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000128688337 679543461 /nfs/dbraw/zinc/54/34/61/679543461.db2.gz SVBVIVTVUCARDF-UHFFFAOYSA-N -1 3 298.770 1.336 20 10 CDCDHM Cc1nccn1CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607989743 1164365773 /nfs/dbraw/zinc/36/57/73/1164365773.db2.gz RNPUULSJRHUQGC-SNVBAGLBSA-N -1 3 289.335 1.946 20 10 CDCDHM C[C@H]([NH2+]CCc1ccn(C)n1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609782314 1165079952 /nfs/dbraw/zinc/07/99/52/1165079952.db2.gz ZLABSRSAVLHNTF-JTQLQIEISA-N -1 3 289.335 1.717 20 10 CDCDHM Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1[O-] ZINC001600218910 1174415662 /nfs/dbraw/zinc/41/56/62/1174415662.db2.gz GATQFXKWIGTTMJ-JQWIXIFHSA-N -1 3 299.754 1.621 20 10 CDCDHM Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1[O-] ZINC001600218910 1174415667 /nfs/dbraw/zinc/41/56/67/1174415667.db2.gz GATQFXKWIGTTMJ-JQWIXIFHSA-N -1 3 299.754 1.621 20 10 CDCDHM Cc1ccc([C@H](C)[NH2+]CCn2cc(C(=O)[O-])nn2)c([O-])c1 ZINC001610490817 1165328090 /nfs/dbraw/zinc/32/80/90/1165328090.db2.gz MYEMOZGGIUASAX-JTQLQIEISA-N -1 3 290.323 1.341 20 10 CDCDHM Cc1csc(CCNC(=O)c2cccc(O)c2[O-])n1 ZINC000126405764 1165998085 /nfs/dbraw/zinc/99/80/85/1165998085.db2.gz JDKRKLPHKKIUFY-UHFFFAOYSA-N -1 3 278.333 1.835 20 10 CDCDHM Cc1nc(NC(=O)C=Cc2ccc(O)c(O)c2)cc(=O)[n-]1 ZINC001179683336 915943949 /nfs/dbraw/zinc/94/39/49/915943949.db2.gz JDTOTWQMELFJLV-HWKANZROSA-N -1 3 287.275 1.554 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN(C2COC2)CC1 ZINC001137831539 936416822 /nfs/dbraw/zinc/41/68/22/936416822.db2.gz DFJREUGVMBLLCU-UHFFFAOYSA-N -1 3 266.316 1.048 20 10 CDCDHM [O-]c1cccc(Br)c1CN1CC2(COC2)C1 ZINC001140098618 936678482 /nfs/dbraw/zinc/67/84/82/936678482.db2.gz HXMBQXZGOIUYJF-UHFFFAOYSA-N -1 3 284.153 1.987 20 10 CDCDHM CN1C(=O)COCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001273163773 923604235 /nfs/dbraw/zinc/60/42/35/923604235.db2.gz OXCMCYRAWWITNZ-UHFFFAOYSA-N -1 3 296.754 1.089 20 10 CDCDHM CCOCCS(=O)(=O)[N-]c1ccc(O)cc1F ZINC000085203939 924278322 /nfs/dbraw/zinc/27/83/22/924278322.db2.gz YXUYUMFVSFEQCD-UHFFFAOYSA-N -1 3 263.290 1.310 20 10 CDCDHM O=S(=O)(NCc1ccccc1O)c1ccc([O-])cc1 ZINC001195811627 924744027 /nfs/dbraw/zinc/74/40/27/924744027.db2.gz PMGXYSLZEMJKAQ-UHFFFAOYSA-N -1 3 279.317 1.576 20 10 CDCDHM CC(=O)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142703146 937056846 /nfs/dbraw/zinc/05/68/46/937056846.db2.gz SRMVJRWIKISGOV-UHFFFAOYSA-N -1 3 278.695 1.799 20 10 CDCDHM Cc1cc(O)cnc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148580535 932749321 /nfs/dbraw/zinc/74/93/21/932749321.db2.gz GXTSGXBTYOEXEK-UHFFFAOYSA-N -1 3 276.248 1.465 20 10 CDCDHM O=C(Nc1ccnc2c1CCC2)c1cc(O)c([O-])c(O)c1 ZINC001148582111 932750522 /nfs/dbraw/zinc/75/05/22/932750522.db2.gz XEOWRBKPWUCGHF-UHFFFAOYSA-N -1 3 286.287 1.361 20 10 CDCDHM CN1CCO[C@H]2CN(Cc3c([O-])cccc3F)C[C@@H]21 ZINC001276354298 935041939 /nfs/dbraw/zinc/04/19/39/935041939.db2.gz PVLWMRROPVSGHV-JSGCOSHPSA-N -1 3 266.316 1.046 20 10 CDCDHM C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCCO1 ZINC001231446329 942892094 /nfs/dbraw/zinc/89/20/94/942892094.db2.gz GXIVRVDOCTYILJ-SNVBAGLBSA-N -1 3 265.309 1.701 20 10 CDCDHM C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCCO1 ZINC001231446329 942892097 /nfs/dbraw/zinc/89/20/97/942892097.db2.gz GXIVRVDOCTYILJ-SNVBAGLBSA-N -1 3 265.309 1.701 20 10 CDCDHM CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC(C)(C)O ZINC001231455297 942898445 /nfs/dbraw/zinc/89/84/45/942898445.db2.gz MSWFRZMTRNASRQ-UHFFFAOYSA-N -1 3 267.325 1.683 20 10 CDCDHM CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC(C)(C)O ZINC001231455297 942898449 /nfs/dbraw/zinc/89/84/49/942898449.db2.gz MSWFRZMTRNASRQ-UHFFFAOYSA-N -1 3 267.325 1.683 20 10 CDCDHM [O-]c1cc(O)c(CN2C[C@@H](F)C[C@H]2CO)cc1Cl ZINC001232260867 943192889 /nfs/dbraw/zinc/19/28/89/943192889.db2.gz SFRUYRLNMMKIMG-IUCAKERBSA-N -1 3 275.707 1.656 20 10 CDCDHM COc1cc([O-])c(CN2CCN(C)C(=O)[C@H]2C)cc1Cl ZINC001232269920 943197551 /nfs/dbraw/zinc/19/75/51/943197551.db2.gz NOFAROMLOGHOAV-SECBINFHSA-N -1 3 298.770 1.717 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCC2(C[C@H](O)CO2)CC1 ZINC001233332828 943546762 /nfs/dbraw/zinc/54/67/62/943546762.db2.gz YUYUGCBGXNKROK-JTQLQIEISA-N -1 3 299.317 1.786 20 10 CDCDHM COCCN1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332222 943547346 /nfs/dbraw/zinc/54/73/46/943547346.db2.gz CQNKQCJLCNKCNZ-UHFFFAOYSA-N -1 3 286.322 1.434 20 10 CDCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H](O)[C@H](CO)C1 ZINC001236792066 944570006 /nfs/dbraw/zinc/57/00/06/944570006.db2.gz AYRNGDOKDACGBJ-UFBFGSQYSA-N -1 3 292.162 1.484 20 10 CDCDHM NC(=O)[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237811044 944961721 /nfs/dbraw/zinc/96/17/21/944961721.db2.gz VFDBHVHYGNMZIG-QMMMGPOBSA-N -1 3 286.734 1.882 20 10 CDCDHM CCNC(=O)CN(C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237934225 945009837 /nfs/dbraw/zinc/00/98/37/945009837.db2.gz JDDRGTNERFQWER-UHFFFAOYSA-N -1 3 274.723 1.753 20 10 CDCDHM Cc1nnc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)o1 ZINC001313430746 956851100 /nfs/dbraw/zinc/85/11/00/956851100.db2.gz ZUQNIKCSSCGSCJ-SSDOTTSWSA-N -1 3 294.286 1.783 20 10 CDCDHM O=C([O-])CC[N@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC001326187294 957316534 /nfs/dbraw/zinc/31/65/34/957316534.db2.gz IBUGFXINTSISFN-UHFFFAOYSA-N -1 3 279.336 1.848 20 10 CDCDHM O=C([O-])CC[N@@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC001326187294 957316544 /nfs/dbraw/zinc/31/65/44/957316544.db2.gz IBUGFXINTSISFN-UHFFFAOYSA-N -1 3 279.336 1.848 20 10 CDCDHM COC1(OC)CC(CNC(=O)c2cccc(O)c2[O-])C1 ZINC001339385254 962335976 /nfs/dbraw/zinc/33/59/76/962335976.db2.gz MBPOMNWGNACZMO-UHFFFAOYSA-N -1 3 281.308 1.227 20 10 CDCDHM CCN(CC(OC)OC)C(=O)c1cccc(O)c1[O-] ZINC001348132276 965834491 /nfs/dbraw/zinc/83/44/91/965834491.db2.gz YFWPVBZIHMIAMS-UHFFFAOYSA-N -1 3 269.297 1.179 20 10 CDCDHM C[C@H]([NH2+]C[C@H]1CCCN1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286440 994645273 /nfs/dbraw/zinc/64/52/73/994645273.db2.gz SVHNHXBYNFAEAL-CMPLNLGQSA-N -1 3 278.352 1.835 20 10 CDCDHM COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](C(=O)[O-])C1 ZINC001599680408 994971135 /nfs/dbraw/zinc/97/11/35/994971135.db2.gz PERRKJPXXDXSMW-KYZUINATSA-N -1 3 251.282 1.354 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@H](C)C[S@](C)=O)c([O-])c1O ZINC000274524860 365699793 /nfs/dbraw/zinc/69/97/93/365699793.db2.gz PNSROTKYRUJLRB-HOGDKLEQSA-N -1 3 285.365 1.245 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](O)CC1 ZINC000294255257 362106487 /nfs/dbraw/zinc/10/64/87/362106487.db2.gz BNGCYIWMAALSDN-SECBINFHSA-N -1 3 251.282 1.085 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCO[C@H](C(N)=O)C2)c1[O-] ZINC000179941064 357232027 /nfs/dbraw/zinc/23/20/27/357232027.db2.gz XSPVNQLLZJJSJI-NSHDSACASA-N -1 3 284.743 1.040 20 10 CDCDHM CCN(Cc1cc(F)ccc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000180153681 357247147 /nfs/dbraw/zinc/24/71/47/357247147.db2.gz YJSAEDKMYUQPSL-JTQLQIEISA-N -1 3 289.372 1.786 20 10 CDCDHM CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000191639606 358142933 /nfs/dbraw/zinc/14/29/33/358142933.db2.gz WWKFNJOZXSLOFX-VIFPVBQESA-N -1 3 280.324 1.003 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H](C)C(=O)OC(C)C)c([O-])c1O ZINC000271288628 364979794 /nfs/dbraw/zinc/97/97/94/364979794.db2.gz PQZURIOHBPQDLN-JTQLQIEISA-N -1 3 295.335 1.724 20 10 CDCDHM CNC(=O)[C@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000179934341 365002979 /nfs/dbraw/zinc/00/29/79/365002979.db2.gz AELLXESHPYTOTE-GFCCVEGCSA-N -1 3 266.316 1.632 20 10 CDCDHM COCCC1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000193140093 365352350 /nfs/dbraw/zinc/35/23/50/365352350.db2.gz XRKKBWMFEZJOEG-UHFFFAOYSA-N -1 3 265.309 1.644 20 10 CDCDHM C[C@H](NCC1(C)OCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273347127 365487350 /nfs/dbraw/zinc/48/73/50/365487350.db2.gz AZHXZQLQFZIRPY-VIFPVBQESA-N -1 3 282.296 1.714 20 10 CDCDHM CN(CCOCCO)Cc1cccc(Cl)c1[O-] ZINC000282837828 368063321 /nfs/dbraw/zinc/06/33/21/368063321.db2.gz VHTRODQXRBURHN-UHFFFAOYSA-N -1 3 259.733 1.486 20 10 CDCDHM CCC[C@@H](C)C(=O)NCCNC(=O)c1cccc(O)c1[O-] ZINC000294226829 371003302 /nfs/dbraw/zinc/00/33/02/371003302.db2.gz YTOROEYXBPEMJB-SNVBAGLBSA-N -1 3 294.351 1.380 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCS[C@H]2COCC[C@H]21 ZINC000275078673 296253813 /nfs/dbraw/zinc/25/38/13/296253813.db2.gz DBRSQXKEYPQYFC-PWSUYJOCSA-N -1 3 295.360 1.444 20 10 CDCDHM COc1cc(Cl)cc(CN2C[C@H](F)C[C@H]2CO)c1[O-] ZINC000372638167 391859664 /nfs/dbraw/zinc/85/96/64/391859664.db2.gz IEXQYHODIQXGFG-MNOVXSKESA-N -1 3 289.734 1.959 20 10 CDCDHM CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591323933 1173610410 /nfs/dbraw/zinc/61/04/10/1173610410.db2.gz GMKMCCCSFZLUIB-AEJSXWLSSA-N -1 3 291.355 1.646 20 10 CDCDHM CC(C)NC(=O)CN(C)Cc1cc(F)ccc1[O-] ZINC000179888893 329213043 /nfs/dbraw/zinc/21/30/43/329213043.db2.gz MXCVRCKFAAMKCH-UHFFFAOYSA-N -1 3 254.305 1.488 20 10 CDCDHM CCC[C@](C)(NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000126732195 521282969 /nfs/dbraw/zinc/28/29/69/521282969.db2.gz JAHHAABMQFIXAD-AWEZNQCLSA-N -1 3 281.308 1.559 20 10 CDCDHM CC(C)C[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000126614506 519224304 /nfs/dbraw/zinc/22/43/04/519224304.db2.gz LIHRYQOZDBAJLK-VIFPVBQESA-N -1 3 253.298 1.235 20 10 CDCDHM COc1c([O-])c(CN2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000278159871 521871074 /nfs/dbraw/zinc/87/10/74/521871074.db2.gz DNAQVUYUDWRFNI-UHFFFAOYSA-N -1 3 296.323 1.513 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1[C@@H]1CCCO1 ZINC000285795905 526772108 /nfs/dbraw/zinc/77/21/08/526772108.db2.gz MGFWEGGEOCPJBY-AAEUAGOBSA-N -1 3 277.320 1.881 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN(c2ccccn2)CC1 ZINC000731864301 575066286 /nfs/dbraw/zinc/06/62/86/575066286.db2.gz UAHZRCAXZIWBFR-UHFFFAOYSA-N -1 3 289.360 1.811 20 10 CDCDHM Cc1csc(=O)n1CCOC(=O)c1cc([O-])cs1 ZINC000732354800 575088108 /nfs/dbraw/zinc/08/81/08/575088108.db2.gz ZVXXWWLBNBWTHH-UHFFFAOYSA-N -1 3 285.346 1.842 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)NC(C1CC1)C1CC1 ZINC000732352681 575088144 /nfs/dbraw/zinc/08/81/44/575088144.db2.gz BSPAZHJNEBACGI-UHFFFAOYSA-N -1 3 295.360 1.915 20 10 CDCDHM COc1c([O-])c(CN2CCCC2)ccc1[N+](=O)[O-] ZINC000774821700 575243984 /nfs/dbraw/zinc/24/39/84/575243984.db2.gz PTUCSYKAHAKOIM-UHFFFAOYSA-N -1 3 252.270 1.905 20 10 CDCDHM COc1cccc(C[NH2+]C2CCN(C(=O)[O-])CC2)c1[O-] ZINC000738105103 576039202 /nfs/dbraw/zinc/03/92/02/576039202.db2.gz RUDAERRZTDALHS-UHFFFAOYSA-N -1 3 280.324 1.633 20 10 CDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H](C)O1 ZINC000768438357 576282709 /nfs/dbraw/zinc/28/27/09/576282709.db2.gz RTJRPPKVRBCCJE-ISTVAULSSA-N -1 3 279.336 1.427 20 10 CDCDHM CCCCN(CC(N)=O)Cc1c([O-])cccc1OC ZINC000768867157 576314993 /nfs/dbraw/zinc/31/49/93/576314993.db2.gz FCFZOEFKKACWJQ-UHFFFAOYSA-N -1 3 266.341 1.488 20 10 CDCDHM CCOC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000769467258 576356652 /nfs/dbraw/zinc/35/66/52/576356652.db2.gz OGPJRRLQFUSMSA-CYBMUJFWSA-N -1 3 299.754 1.810 20 10 CDCDHM CCOC(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000769468323 576357149 /nfs/dbraw/zinc/35/71/49/576357149.db2.gz YKTQQDHOAWEOQM-ZDUSSCGKSA-N -1 3 299.754 1.810 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@]2(C)CO)c([O-])c1O ZINC000760096944 576457837 /nfs/dbraw/zinc/45/78/37/576457837.db2.gz WGMAKOBIUYWQAM-CQSZACIVSA-N -1 3 265.309 1.393 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000760178877 576464522 /nfs/dbraw/zinc/46/45/22/576464522.db2.gz YAPMSCNGZLZZQN-APPZFPTMSA-N -1 3 295.282 1.982 20 10 CDCDHM O=C(N[C@@H](CO)CC(F)F)c1cc([O-])cs1 ZINC000760919445 576524855 /nfs/dbraw/zinc/52/48/55/576524855.db2.gz DGEQWUGXGDCEKL-RXMQYKEDSA-N -1 3 251.254 1.200 20 10 CDCDHM CN(C[C@H](O)C(F)(F)F)C(=O)c1cc([O-])cs1 ZINC000758481437 577110682 /nfs/dbraw/zinc/11/06/82/577110682.db2.gz SZFOWISPRDRMHM-ZETCQYMHSA-N -1 3 269.244 1.449 20 10 CDCDHM CN1CCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760744 617321291 /nfs/dbraw/zinc/32/12/91/617321291.db2.gz YJWAXIOGGDDNRL-NSHDSACASA-N -1 3 268.744 1.756 20 10 CDCDHM Cc1ccc(C(=O)NOC/C=C\Cl)c([O-])c1O ZINC000794295680 619319387 /nfs/dbraw/zinc/31/93/87/619319387.db2.gz JXVUVUHCOOJVLJ-DJWKRKHSSA-N -1 3 257.673 1.820 20 10 CDCDHM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000897680897 621068500 /nfs/dbraw/zinc/06/85/00/621068500.db2.gz MVSFQLGJWYDDFC-RDDDGLTNSA-N -1 3 259.708 1.997 20 10 CDCDHM CCOC(=O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126270189 679787370 /nfs/dbraw/zinc/78/73/70/679787370.db2.gz VQZSZBJVNGQHLT-NSHDSACASA-N -1 3 293.319 1.656 20 10 CDCDHM Cc1ccccc1[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000790915449 679855379 /nfs/dbraw/zinc/85/53/79/679855379.db2.gz APCJYEWBLJQEOV-ZDUSSCGKSA-N -1 3 287.315 1.870 20 10 CDCDHM O=C(CNC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000863057476 681940700 /nfs/dbraw/zinc/94/07/00/681940700.db2.gz AKAAUOGCVIEFDU-UHFFFAOYSA-N -1 3 263.293 1.587 20 10 CDCDHM CO[C@@H](C)c1nsc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000802627652 682433805 /nfs/dbraw/zinc/43/38/05/682433805.db2.gz BSMOYQGJPWLMDH-LURJTMIESA-N -1 3 295.320 1.909 20 10 CDCDHM CN1CCCc2cc(CNC(=O)c3cn[n-]n3)ccc21 ZINC000195091435 682543547 /nfs/dbraw/zinc/54/35/47/682543547.db2.gz BOEMMBYPGJWDKF-UHFFFAOYSA-N -1 3 271.324 1.117 20 10 CDCDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000193119260 682689386 /nfs/dbraw/zinc/68/93/86/682689386.db2.gz OLNYJNUAMCPZDB-JTQLQIEISA-N -1 3 277.276 1.808 20 10 CDCDHM O=C1CC[C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC000211586667 682823600 /nfs/dbraw/zinc/82/36/00/682823600.db2.gz SVWJHEXURBIVLR-GFCCVEGCSA-N -1 3 280.755 1.852 20 10 CDCDHM CC(C)NC(=O)[C@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000708518079 683743374 /nfs/dbraw/zinc/74/33/74/683743374.db2.gz ZHFUENFDTAVCLS-QMMMGPOBSA-N -1 3 272.295 1.673 20 10 CDCDHM COC[C@@H](CNC(=O)c1cccc(O)c1[O-])C(C)C ZINC000885801610 683873710 /nfs/dbraw/zinc/87/37/10/683873710.db2.gz UAEARTYTVMOSBG-SNVBAGLBSA-N -1 3 267.325 1.746 20 10 CDCDHM C[C@@](O)(CNC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000185770693 683879924 /nfs/dbraw/zinc/87/99/24/683879924.db2.gz XBUHZVXDRHKWBL-CQSZACIVSA-N -1 3 277.276 1.328 20 10 CDCDHM C[C@H](NCc1cnnn1C)c1cc(C(=O)[O-])ccc1O ZINC001604348139 1163161620 /nfs/dbraw/zinc/16/16/20/1163161620.db2.gz KBALHIGMZPEPHZ-QMMMGPOBSA-N -1 3 276.296 1.070 20 10 CDCDHM C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978575 1173222880 /nfs/dbraw/zinc/22/28/80/1173222880.db2.gz OWWOJUCPTVUBNP-KXUCPTDWSA-N -1 3 273.340 1.879 20 10 CDCDHM O=S(=O)([N-]Cc1ccccc1O)c1cnc(Cl)nc1 ZINC000228409945 1165394610 /nfs/dbraw/zinc/39/46/10/1165394610.db2.gz VXQWUIMQFYBXLS-UHFFFAOYSA-N -1 3 299.739 1.314 20 10 CDCDHM O=C(CCc1ccc(O)c(O)c1)Nc1cncc([O-])c1 ZINC001182153852 917689521 /nfs/dbraw/zinc/68/95/21/917689521.db2.gz MXCVFBVTMGMWIH-UHFFFAOYSA-N -1 3 274.276 1.770 20 10 CDCDHM C[C@@]1(O)CCN(Cc2cccc(F)c2[O-])C[C@@H]1F ZINC001138124030 936473566 /nfs/dbraw/zinc/47/35/66/936473566.db2.gz VVHMFXROFFFHRG-WCQYABFASA-N -1 3 257.280 1.826 20 10 CDCDHM C[C@H]1C(=O)N(C)CCN1Cc1ccc(Cl)cc1[O-] ZINC001140464844 936712429 /nfs/dbraw/zinc/71/24/29/936712429.db2.gz CFGVAUOWEBCIQP-VIFPVBQESA-N -1 3 268.744 1.708 20 10 CDCDHM O=C1CCN(Cc2c([O-])cc(F)cc2F)C[C@@H]2CCCN12 ZINC001140585464 936728286 /nfs/dbraw/zinc/72/82/86/936728286.db2.gz JKCSSNFVBHTCGG-NSHDSACASA-N -1 3 296.317 1.867 20 10 CDCDHM COc1cc(C(=O)Nc2ncccc2[O-])cc(O)c1O ZINC001193081493 923431569 /nfs/dbraw/zinc/43/15/69/923431569.db2.gz MRUILQGWDSXAIE-UHFFFAOYSA-N -1 3 276.248 1.459 20 10 CDCDHM N=c1scc(N)n1C(=O)c1ccc([O-])c(O)c1Cl ZINC001193208916 923533481 /nfs/dbraw/zinc/53/34/81/923533481.db2.gz BDCLYPMFWMQCIA-UHFFFAOYSA-N -1 3 285.712 1.364 20 10 CDCDHM COC(=O)CCCS(=O)(=O)Nc1ccc([O-])c(F)c1 ZINC000085200889 924266227 /nfs/dbraw/zinc/26/62/27/924266227.db2.gz UOGPJDKNEOEDOP-UHFFFAOYSA-N -1 3 291.300 1.226 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](O)[C@@H](CO)C1 ZINC000840974911 936969691 /nfs/dbraw/zinc/96/96/91/936969691.db2.gz JKTPWQBGOJVCFM-KCJUWKMLSA-N -1 3 289.734 1.360 20 10 CDCDHM O=C(NCc1ccccc1O)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154213657 937517530 /nfs/dbraw/zinc/51/75/30/937517530.db2.gz WJDSNNGLGGQIPA-UHFFFAOYSA-N -1 3 283.287 1.904 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])C1CC(F)(F)C1 ZINC001148212701 932668451 /nfs/dbraw/zinc/66/84/51/932668451.db2.gz GOYAVZHWLNWFNX-UHFFFAOYSA-N -1 3 257.236 1.968 20 10 CDCDHM O=C(NCc1cccc2ccnn21)c1cccc(O)c1[O-] ZINC001148224266 932671923 /nfs/dbraw/zinc/67/19/23/932671923.db2.gz GJJZDDDCFJBZLM-UHFFFAOYSA-N -1 3 283.287 1.676 20 10 CDCDHM COc1nccc(N)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581713 932750608 /nfs/dbraw/zinc/75/06/08/932750608.db2.gz SCUJGWJUZQIPNA-UHFFFAOYSA-N -1 3 291.263 1.042 20 10 CDCDHM Cc1cccnc1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581182 932751651 /nfs/dbraw/zinc/75/16/51/932751651.db2.gz OGRRTAWIFATJIO-UHFFFAOYSA-N -1 3 274.276 1.437 20 10 CDCDHM O=C(NCc1cc2ccccn2n1)c1cc(O)c([O-])c(O)c1 ZINC001148591353 932753915 /nfs/dbraw/zinc/75/39/15/932753915.db2.gz YLCBVESOIABENW-UHFFFAOYSA-N -1 3 299.286 1.381 20 10 CDCDHM COc1cc([O-])c(CN2CCO[C@@H](C(C)=O)C2)cc1Cl ZINC001232270526 943196502 /nfs/dbraw/zinc/19/65/02/943196502.db2.gz CZHXECZDNFHTTN-CQSZACIVSA-N -1 3 299.754 1.844 20 10 CDCDHM CCN(Cc1ccc(F)c(F)c1[O-])C1CN(C)C1 ZINC001233078960 943486953 /nfs/dbraw/zinc/48/69/53/943486953.db2.gz PWLABFJGIKIURX-UHFFFAOYSA-N -1 3 256.296 1.806 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])ccc(F)c2F)CC[C@@H]1O ZINC001233332517 943545489 /nfs/dbraw/zinc/54/54/89/943545489.db2.gz NRJDJIYINXDNFC-KCJUWKMLSA-N -1 3 257.280 1.873 20 10 CDCDHM COc1cc([O-])c(CN(C)CCO)c(Br)c1 ZINC001236256047 944439000 /nfs/dbraw/zinc/43/90/00/944439000.db2.gz MFWAQMMDNOVZOE-UHFFFAOYSA-N -1 3 290.157 1.587 20 10 CDCDHM COC(=O)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001324922785 953637127 /nfs/dbraw/zinc/63/71/27/953637127.db2.gz XNJXAJPNEWQCFL-UHFFFAOYSA-N -1 3 294.307 1.012 20 10 CDCDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])C(C)C ZINC000279307986 363086378 /nfs/dbraw/zinc/08/63/78/363086378.db2.gz OAIVHORIEYHQSR-NSHDSACASA-N -1 3 253.298 1.499 20 10 CDCDHM CC(C)n1cnnc1CNC(=O)c1cccc(O)c1[O-] ZINC000188421047 357894482 /nfs/dbraw/zinc/89/44/82/357894482.db2.gz KJBHWKXFWNADHN-UHFFFAOYSA-N -1 3 276.296 1.200 20 10 CDCDHM C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(F)c(F)c1[O-] ZINC000191198305 358119255 /nfs/dbraw/zinc/11/92/55/358119255.db2.gz JMBXHSXEBFYKIB-KCJUWKMLSA-N -1 3 284.306 1.990 20 10 CDCDHM COC(=O)C[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000271314007 364980640 /nfs/dbraw/zinc/98/06/40/364980640.db2.gz WCIMLTIDFGVUPE-QMMMGPOBSA-N -1 3 267.281 1.088 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](CCO)C(C)C)c([O-])c1O ZINC000272722068 365364742 /nfs/dbraw/zinc/36/47/42/365364742.db2.gz HPYGHIFITXRNHE-NSHDSACASA-N -1 3 267.325 1.543 20 10 CDCDHM CCN(CC)C(=O)CN(C)Cc1cc(F)ccc1[O-] ZINC000183246191 365379304 /nfs/dbraw/zinc/37/93/04/365379304.db2.gz FQRCHXVSKJSONZ-UHFFFAOYSA-N -1 3 268.332 1.832 20 10 CDCDHM C[C@H](N(C)C(=O)c1cccc(O)c1[O-])C(C)(C)O ZINC000296756520 371445146 /nfs/dbraw/zinc/44/51/46/371445146.db2.gz CKCMOPJCECHUHB-QMMMGPOBSA-N -1 3 253.298 1.329 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCCOCC2)c1[O-] ZINC000061919994 375866707 /nfs/dbraw/zinc/86/67/07/375866707.db2.gz NVWJMVOYEZMPBC-UHFFFAOYSA-N -1 3 267.300 1.956 20 10 CDCDHM COCCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182051116 391230414 /nfs/dbraw/zinc/23/04/14/391230414.db2.gz NVJOHQINSKQJME-UHFFFAOYSA-N -1 3 253.298 1.563 20 10 CDCDHM Cc1ccc(C(=O)NCC2(O)CCCCC2)c([O-])c1O ZINC000179510472 391208587 /nfs/dbraw/zinc/20/85/87/391208587.db2.gz ALPIAAWZYKHECU-UHFFFAOYSA-N -1 3 279.336 1.831 20 10 CDCDHM C[C@@H](CS(C)(=O)=O)N(Cc1ccccc1[O-])C1CC1 ZINC000179575060 391211875 /nfs/dbraw/zinc/21/18/75/391211875.db2.gz UNGQMSRNOPLJAX-NSHDSACASA-N -1 3 283.393 1.790 20 10 CDCDHM [O-]c1ccc(Br)cc1CNCC(F)(F)CO ZINC000183894946 391273888 /nfs/dbraw/zinc/27/38/88/391273888.db2.gz OHTOACUQUKGUDX-UHFFFAOYSA-N -1 3 296.111 1.872 20 10 CDCDHM Cc1n[nH]cc1CCCNC(=O)c1cccc(O)c1[O-] ZINC000126372219 260349146 /nfs/dbraw/zinc/34/91/46/260349146.db2.gz CXMQHESTALEFRN-UHFFFAOYSA-N -1 3 275.308 1.492 20 10 CDCDHM CC(C)[C@H](CO)CNC(=O)c1cccc(O)c1[O-] ZINC000394175934 686860337 /nfs/dbraw/zinc/86/03/37/686860337.db2.gz KMHFRJRVAVMJBH-VIFPVBQESA-N -1 3 253.298 1.092 20 10 CDCDHM CCCOc1ccc(CN[C@@H](CF)C(=O)OC)c([O-])c1 ZINC000290494885 520371811 /nfs/dbraw/zinc/37/18/11/520371811.db2.gz OUOIKTSDDJQSOR-LBPRGKRZSA-N -1 3 285.315 1.782 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCSC1 ZINC000126248221 523944224 /nfs/dbraw/zinc/94/42/24/523944224.db2.gz MUSYAPBGESDPRD-MRVPVSSYSA-N -1 3 253.323 1.675 20 10 CDCDHM C[C@@H]1CN(Cc2ccccc2[O-])CC[S@](=O)C1 ZINC000277311890 525015861 /nfs/dbraw/zinc/01/58/61/525015861.db2.gz BPGZPGCGYWZMOT-DIFFPNOSSA-N -1 3 253.367 1.593 20 10 CDCDHM Cc1ccc(C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)c([O-])c1O ZINC000272801501 526131711 /nfs/dbraw/zinc/13/17/11/526131711.db2.gz YONKCDMEGCZAPM-AUKWLOTRSA-N -1 3 297.376 1.388 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CCSC2)c([O-])c1O ZINC000279803868 526177043 /nfs/dbraw/zinc/17/70/43/526177043.db2.gz PNEIGLWQWLZNFS-VIFPVBQESA-N -1 3 267.350 1.889 20 10 CDCDHM O=C(NC[C@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000126345831 526592660 /nfs/dbraw/zinc/59/26/60/526592660.db2.gz LXGQWKBDHVSCDN-SECBINFHSA-N -1 3 251.282 1.397 20 10 CDCDHM COC(=O)Cc1csc(NC(=O)c2cc([O-])cs2)n1 ZINC000731869629 575066671 /nfs/dbraw/zinc/06/66/71/575066671.db2.gz UNWXALKDPNCEFU-UHFFFAOYSA-N -1 3 298.345 1.878 20 10 CDCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NCC(F)(F)F ZINC000732354667 575088074 /nfs/dbraw/zinc/08/80/74/575088074.db2.gz PXKDGPJPVZUTBG-YFKPBYRVSA-N -1 3 297.254 1.678 20 10 CDCDHM NC(=O)[C@H](OC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000732352734 575088157 /nfs/dbraw/zinc/08/81/57/575088157.db2.gz DMNUEEYIILWWIU-LLVKDONJSA-N -1 3 295.291 1.976 20 10 CDCDHM CCN(C(=O)c1cc([O-])cs1)[C@H](C)CS(C)(=O)=O ZINC000733002317 575099957 /nfs/dbraw/zinc/09/99/57/575099957.db2.gz ZJIAFARUTMKFDT-MRVPVSSYSA-N -1 3 291.394 1.349 20 10 CDCDHM O=C(NCCOc1cccnc1)c1cc([O-])cs1 ZINC000734018205 575153660 /nfs/dbraw/zinc/15/36/60/575153660.db2.gz IUJDMSRANIEMOQ-UHFFFAOYSA-N -1 3 264.306 1.658 20 10 CDCDHM Cc1ccc(C(=O)NCCc2cncn2C)c([O-])c1O ZINC000773823071 575839726 /nfs/dbraw/zinc/83/97/26/575839726.db2.gz HTZNJYPIRFPHHE-UHFFFAOYSA-N -1 3 275.308 1.112 20 10 CDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)[C@@H](C)CN1C ZINC000768845959 576312131 /nfs/dbraw/zinc/31/21/31/576312131.db2.gz LEUBKIZYJSGQEV-IUCAKERBSA-N -1 3 254.355 1.618 20 10 CDCDHM O=C(NCCSCCCO)c1cc([O-])cs1 ZINC000769227033 576339136 /nfs/dbraw/zinc/33/91/36/576339136.db2.gz DQUVMUOUJSVUEB-UHFFFAOYSA-N -1 3 261.368 1.299 20 10 CDCDHM CCOC(=O)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000769468322 576357188 /nfs/dbraw/zinc/35/71/88/576357188.db2.gz YKTQQDHOAWEOQM-CYBMUJFWSA-N -1 3 299.754 1.810 20 10 CDCDHM O=C([O-])C1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000740482156 576477751 /nfs/dbraw/zinc/47/77/51/576477751.db2.gz LJWGUPVPDMPLRK-UHFFFAOYSA-N -1 3 279.292 1.418 20 10 CDCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)CC[S@@]1=O ZINC000760922578 576525292 /nfs/dbraw/zinc/52/52/92/576525292.db2.gz RMJVTUJBTLVCTG-RBHXEPJQSA-N -1 3 273.379 1.437 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC[C@@]2(CCOC2)C1 ZINC000757426025 577040012 /nfs/dbraw/zinc/04/00/12/577040012.db2.gz VJIGDIVBMXDANH-GFCCVEGCSA-N -1 3 253.323 1.706 20 10 CDCDHM CC(=O)NC1CCC(N(C)C(=O)c2cc([O-])cs2)CC1 ZINC000753520046 577175339 /nfs/dbraw/zinc/17/53/39/577175339.db2.gz DXNGMPZTYISDIY-UHFFFAOYSA-N -1 3 296.392 1.973 20 10 CDCDHM CC1(C)CNC(=O)[C@@H]1NCc1c([O-])ccc(Cl)c1F ZINC000895324629 619560406 /nfs/dbraw/zinc/56/04/06/619560406.db2.gz QWFQEZZIPOVWSJ-NSHDSACASA-N -1 3 286.734 1.799 20 10 CDCDHM O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000905792620 626976740 /nfs/dbraw/zinc/97/67/40/626976740.db2.gz CZHQNPSWFKVVLU-NSHDSACASA-N -1 3 287.319 1.912 20 10 CDCDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1nncn1C ZINC000708494564 685327960 /nfs/dbraw/zinc/32/79/60/685327960.db2.gz LYFJOMPGRVBRQO-ZETCQYMHSA-N -1 3 268.267 1.650 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)CC(=O)N1 ZINC000862387933 684683444 /nfs/dbraw/zinc/68/34/44/684683444.db2.gz SNCVIFFRDGWPFI-QMMMGPOBSA-N -1 3 299.168 1.475 20 10 CDCDHM C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])c2nccn21 ZINC000836960092 684839722 /nfs/dbraw/zinc/83/97/22/684839722.db2.gz OZORRPHMXPCUBN-WPRPVWTQSA-N -1 3 273.292 1.730 20 10 CDCDHM CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cccc(O)c1[O-] ZINC000790944098 685947115 /nfs/dbraw/zinc/94/71/15/685947115.db2.gz WAILKWDJPKLYRW-NSHDSACASA-N -1 3 292.335 1.181 20 10 CDCDHM O=C(NCCOc1ncccc1F)c1cccc(O)c1[O-] ZINC000790900204 686149186 /nfs/dbraw/zinc/14/91/86/686149186.db2.gz VTVVMAMKELWTGD-UHFFFAOYSA-N -1 3 292.266 1.441 20 10 CDCDHM O=C(NCCNc1ccccn1)c1cccc(O)c1[O-] ZINC000790516441 686241078 /nfs/dbraw/zinc/24/10/78/686241078.db2.gz TZCDCDACDXLKSI-UHFFFAOYSA-N -1 3 273.292 1.335 20 10 CDCDHM O=C(CNCc1c([O-])ccc(Cl)c1F)NC1CC1 ZINC000790949202 687067554 /nfs/dbraw/zinc/06/75/54/687067554.db2.gz DZXCHPQLQKWYBU-UHFFFAOYSA-N -1 3 272.707 1.553 20 10 CDCDHM Cc1ccc2nc(CNC(=O)c3cccc(O)c3[O-])cn2c1 ZINC000790562664 687291989 /nfs/dbraw/zinc/29/19/89/687291989.db2.gz ZUIRDTBDSRFCGE-UHFFFAOYSA-N -1 3 297.314 1.984 20 10 CDCDHM Cc1noc(CN(C)C(=O)c2cccc(O)c2[O-])n1 ZINC000706374908 687915360 /nfs/dbraw/zinc/91/53/60/687915360.db2.gz BPLXYWBKQKBOKZ-UHFFFAOYSA-N -1 3 263.253 1.061 20 10 CDCDHM C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326885 1163151281 /nfs/dbraw/zinc/15/12/81/1163151281.db2.gz UMGCTJSCLGGMHL-NOZJJQNGSA-N -1 3 279.336 1.902 20 10 CDCDHM C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001604638142 1163262994 /nfs/dbraw/zinc/26/29/94/1163262994.db2.gz VAFRBKPOMFBJON-DFAYQTQMSA-N -1 3 293.319 1.113 20 10 CDCDHM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001604638142 1163263000 /nfs/dbraw/zinc/26/30/00/1163263000.db2.gz VAFRBKPOMFBJON-DFAYQTQMSA-N -1 3 293.319 1.113 20 10 CDCDHM C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589954548 1173211064 /nfs/dbraw/zinc/21/10/64/1173211064.db2.gz YXUALNDUNCWWQZ-DTWKUNHWSA-N -1 3 299.338 1.707 20 10 CDCDHM C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603695270 1175601264 /nfs/dbraw/zinc/60/12/64/1175601264.db2.gz JPFGAOHEZUFAJK-UTLUCORTSA-N -1 3 291.355 1.382 20 10 CDCDHM Cc1cc(O)c(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1C ZINC001607700314 1164274615 /nfs/dbraw/zinc/27/46/15/1164274615.db2.gz VPSLZVJRULIJHL-GXTWGEPZSA-N -1 3 279.336 1.419 20 10 CDCDHM CCCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)[O-] ZINC001609970197 1165169979 /nfs/dbraw/zinc/16/99/79/1165169979.db2.gz DNJUALYZIJIIMS-HNNXBMFYSA-N -1 3 281.352 1.830 20 10 CDCDHM CCCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)[O-] ZINC001609970197 1165169981 /nfs/dbraw/zinc/16/99/81/1165169981.db2.gz DNJUALYZIJIIMS-HNNXBMFYSA-N -1 3 281.352 1.830 20 10 CDCDHM CN(C)C1CN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804422 1167399132 /nfs/dbraw/zinc/39/91/32/1167399132.db2.gz DGRPCPYBRVEWDK-UHFFFAOYSA-N -1 3 258.724 1.931 20 10 CDCDHM CC(=O)N[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530345 908876231 /nfs/dbraw/zinc/87/62/31/908876231.db2.gz FEXCTPWULKVVNW-JTQLQIEISA-N -1 3 270.279 1.381 20 10 CDCDHM [O-]c1c(F)cccc1CN1CC(N2CCOCC2)C1 ZINC001138127664 936475105 /nfs/dbraw/zinc/47/51/05/936475105.db2.gz KGNUFLMQYZUFHJ-UHFFFAOYSA-N -1 3 266.316 1.048 20 10 CDCDHM C[C@@H]1C(=O)N(C)CCN1Cc1c([O-])cccc1Cl ZINC001140341564 936703360 /nfs/dbraw/zinc/70/33/60/936703360.db2.gz WJMSIPWDLRARRY-SECBINFHSA-N -1 3 268.744 1.708 20 10 CDCDHM C[C@@H]1C(=O)N(C)CCN1Cc1ccc(Cl)cc1[O-] ZINC001140464843 936712707 /nfs/dbraw/zinc/71/27/07/936712707.db2.gz CFGVAUOWEBCIQP-SECBINFHSA-N -1 3 268.744 1.708 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](O)[C@@H](F)CC1 ZINC001139683191 937401452 /nfs/dbraw/zinc/40/14/52/937401452.db2.gz BCLDGXDTEGLHJS-CMPLNLGQSA-N -1 3 275.270 1.965 20 10 CDCDHM CCc1nc(CNC(=O)c2cccc(O)c2[O-])co1 ZINC001158280544 938604108 /nfs/dbraw/zinc/60/41/08/938604108.db2.gz JOAGFHZQYUZLTF-UHFFFAOYSA-N -1 3 262.265 1.578 20 10 CDCDHM COC(=O)c1ccc([O-])c(Nc2ccnc(C(C)=O)c2)c1 ZINC001210591798 940700577 /nfs/dbraw/zinc/70/05/77/940700577.db2.gz QNHWPZLHOVUVFP-UHFFFAOYSA-N -1 3 286.287 1.942 20 10 CDCDHM CO[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446469 942890898 /nfs/dbraw/zinc/89/08/98/942890898.db2.gz JIAISFMCOXBGLB-LLVKDONJSA-N -1 3 251.282 1.311 20 10 CDCDHM CO[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446469 942890902 /nfs/dbraw/zinc/89/09/02/942890902.db2.gz JIAISFMCOXBGLB-LLVKDONJSA-N -1 3 251.282 1.311 20 10 CDCDHM CO[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447231 942893826 /nfs/dbraw/zinc/89/38/26/942893826.db2.gz QEWGCICCUXJWKT-GFCCVEGCSA-N -1 3 265.309 1.701 20 10 CDCDHM CO[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447231 942893827 /nfs/dbraw/zinc/89/38/27/942893827.db2.gz QEWGCICCUXJWKT-GFCCVEGCSA-N -1 3 265.309 1.701 20 10 CDCDHM O=C([O-])c1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001231450540 942893887 /nfs/dbraw/zinc/89/38/87/942893887.db2.gz SRMRDUHQRAYPMY-SDDRHHMPSA-N -1 3 265.284 1.880 20 10 CDCDHM C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1O ZINC001231447542 942894082 /nfs/dbraw/zinc/89/40/82/942894082.db2.gz WCSAFIDUJGOLJP-NOZJJQNGSA-N -1 3 265.309 1.293 20 10 CDCDHM C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1O ZINC001231447542 942894083 /nfs/dbraw/zinc/89/40/83/942894083.db2.gz WCSAFIDUJGOLJP-NOZJJQNGSA-N -1 3 265.309 1.293 20 10 CDCDHM COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231569392 942932958 /nfs/dbraw/zinc/93/29/58/942932958.db2.gz XQPCFXFAGRDXRZ-OAHLLOKOSA-N -1 3 293.319 1.475 20 10 CDCDHM COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231569392 942932963 /nfs/dbraw/zinc/93/29/63/942932963.db2.gz XQPCFXFAGRDXRZ-OAHLLOKOSA-N -1 3 293.319 1.475 20 10 CDCDHM [O-]c1c(CN2CC(CO)C2)cccc1C(F)(F)F ZINC001233418477 943581172 /nfs/dbraw/zinc/58/11/72/943581172.db2.gz INTVBHWWUOMWPY-UHFFFAOYSA-N -1 3 261.243 1.835 20 10 CDCDHM CN1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237946420 945010038 /nfs/dbraw/zinc/01/00/38/945010038.db2.gz LZAVZNPJOOPNJO-UHFFFAOYSA-N -1 3 258.724 1.932 20 10 CDCDHM O=C(Nc1nc(CCO)cs1)c1cccc(O)c1[O-] ZINC001306847474 956337862 /nfs/dbraw/zinc/33/78/62/956337862.db2.gz ZFWCKBQLDJKDHB-UHFFFAOYSA-N -1 3 280.305 1.341 20 10 CDCDHM C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593198304 994170246 /nfs/dbraw/zinc/17/02/46/994170246.db2.gz PYLJOFDCPMVUHA-ZJUUUORDSA-N -1 3 279.336 1.902 20 10 CDCDHM CCCCN1CC(=O)N[C@H]1c1cc(F)ccc1[O-] ZINC000077476172 342328956 /nfs/dbraw/zinc/32/89/56/342328956.db2.gz XCXKBSHBYFXKBM-CYBMUJFWSA-N -1 3 252.289 1.762 20 10 CDCDHM CCOC[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000276902263 357222821 /nfs/dbraw/zinc/22/28/21/357222821.db2.gz PSKYSVPQWHDPFR-LLVKDONJSA-N -1 3 267.325 1.889 20 10 CDCDHM C/C=C/C[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000193167132 358270810 /nfs/dbraw/zinc/27/08/10/358270810.db2.gz GPTBYUQZNORDKQ-HPOULIHZSA-N -1 3 251.282 1.155 20 10 CDCDHM CCCCN1CC(=O)N[C@H]1c1cc(OC)c(OC)cc1[O-] ZINC000271046130 364890358 /nfs/dbraw/zinc/89/03/58/364890358.db2.gz LWMSIKBNQNUCCJ-OAHLLOKOSA-N -1 3 294.351 1.640 20 10 CDCDHM COc1cc(Cl)cc([C@@H]2NC(=O)CN2C)c1[O-] ZINC000273456397 365496214 /nfs/dbraw/zinc/49/62/14/365496214.db2.gz DQYSCYXVGUYJAH-LLVKDONJSA-N -1 3 256.689 1.114 20 10 CDCDHM CC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C(C)(C)O ZINC000294022414 378610660 /nfs/dbraw/zinc/61/06/60/378610660.db2.gz QQMJFHHPLRTSSA-SNVBAGLBSA-N -1 3 267.325 1.686 20 10 CDCDHM C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000296086460 378716577 /nfs/dbraw/zinc/71/65/77/378716577.db2.gz XTEZOOGQUGRLKM-BDODKLCJSA-N -1 3 259.252 1.081 20 10 CDCDHM COc1c([O-])c(CN(C(C)C)C2COC2)ccc1[N+](=O)[O-] ZINC000295929720 391058653 /nfs/dbraw/zinc/05/86/53/391058653.db2.gz FNHYOEFIORIVBI-UHFFFAOYSA-N -1 3 296.323 1.918 20 10 CDCDHM Cc1ccc(C(=O)N(C)CC[C@@H](C)O)c([O-])c1O ZINC000182549615 391237221 /nfs/dbraw/zinc/23/72/21/391237221.db2.gz HZOIIIOFHATLIB-SECBINFHSA-N -1 3 253.298 1.249 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)c([O-])c1O ZINC000179514379 391208697 /nfs/dbraw/zinc/20/86/97/391208697.db2.gz AFPZIIGSXDERTG-SWHYSGLUSA-N -1 3 291.347 1.950 20 10 CDCDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccccc1[O-] ZINC000179577967 391213279 /nfs/dbraw/zinc/21/32/79/391213279.db2.gz DZNCMRCKHZVIPK-MNOVXSKESA-N -1 3 269.366 1.400 20 10 CDCDHM C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000187156540 262387576 /nfs/dbraw/zinc/38/75/76/262387576.db2.gz BQZZUFFZUXAHOL-RKDXNWHRSA-N -1 3 253.298 1.235 20 10 CDCDHM COC[C@H]1CCCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000370501392 267325508 /nfs/dbraw/zinc/32/55/08/267325508.db2.gz WXSWYFZZMXGGOY-NSHDSACASA-N -1 3 279.336 1.987 20 10 CDCDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1O ZINC000278565132 328227407 /nfs/dbraw/zinc/22/74/07/328227407.db2.gz BTEGMXPVDCWUAG-SKDRFNHKSA-N -1 3 296.323 1.512 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)C2)c1[O-] ZINC000061710880 518278449 /nfs/dbraw/zinc/27/84/49/518278449.db2.gz UNESZMWBITUMAQ-LLVKDONJSA-N -1 3 269.728 1.815 20 10 CDCDHM CCC1(O)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000279360083 519846850 /nfs/dbraw/zinc/84/68/50/519846850.db2.gz SPYWQCKWRDGWSR-UHFFFAOYSA-N -1 3 265.309 1.475 20 10 CDCDHM CCCOc1ccc(CN[C@H](CF)C(=O)OC)c([O-])c1 ZINC000290494881 520374152 /nfs/dbraw/zinc/37/41/52/520374152.db2.gz OUOIKTSDDJQSOR-GFCCVEGCSA-N -1 3 285.315 1.782 20 10 CDCDHM COc1c([O-])c(CN2CC[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000278286783 521872775 /nfs/dbraw/zinc/87/27/75/521872775.db2.gz ULRWVGWNICREGD-CYBMUJFWSA-N -1 3 282.296 1.266 20 10 CDCDHM COC(=O)C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000279882090 523344674 /nfs/dbraw/zinc/34/46/74/523344674.db2.gz RUZJPYZUGKRPRV-SECBINFHSA-N -1 3 279.292 1.266 20 10 CDCDHM COC(=O)N1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000278857156 523428890 /nfs/dbraw/zinc/42/88/90/523428890.db2.gz FFXDBYMRFUFNEZ-UHFFFAOYSA-N -1 3 294.307 1.058 20 10 CDCDHM CC[C@]1(CO)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280535945 523612264 /nfs/dbraw/zinc/61/22/64/523612264.db2.gz SDIVUDJPFGOWBI-HNNXBMFYSA-N -1 3 279.336 1.723 20 10 CDCDHM C[C@H]1CCS(=O)(=O)CCN1Cc1ccccc1[O-] ZINC000192057704 524323458 /nfs/dbraw/zinc/32/34/58/524323458.db2.gz XPDUVLABFVYJKX-NSHDSACASA-N -1 3 269.366 1.401 20 10 CDCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000048923752 525198421 /nfs/dbraw/zinc/19/84/21/525198421.db2.gz STQCXAJWVYRGPJ-QMMMGPOBSA-N -1 3 298.364 1.292 20 10 CDCDHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000279390606 525695826 /nfs/dbraw/zinc/69/58/26/525695826.db2.gz VUSKIZBCAPQFRC-BLBZPCKPSA-N -1 3 283.349 1.079 20 10 CDCDHM O=C1NC[C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC000156062583 527073385 /nfs/dbraw/zinc/07/33/85/527073385.db2.gz CHOOSIFWYAMBEY-LLVKDONJSA-N -1 3 281.743 1.255 20 10 CDCDHM CCOc1ccc(CN2CCS(=O)CC2)c([O-])c1 ZINC000769328964 575348016 /nfs/dbraw/zinc/34/80/16/575348016.db2.gz IIZOFIUFWHMCAO-UHFFFAOYSA-N -1 3 269.366 1.355 20 10 CDCDHM Cc1nccn1CCNC(=O)c1cc([O-])cs1 ZINC000732280108 575086208 /nfs/dbraw/zinc/08/62/08/575086208.db2.gz YFOQNZAEFRDOJU-UHFFFAOYSA-N -1 3 251.311 1.389 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](C2OCCO2)C1 ZINC000732281849 575086672 /nfs/dbraw/zinc/08/66/72/575086672.db2.gz CJJPRAOCSFCXLU-SECBINFHSA-N -1 3 283.349 1.679 20 10 CDCDHM COCCCNC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732352696 575088129 /nfs/dbraw/zinc/08/81/29/575088129.db2.gz CGQAKGBNIBINIM-MRVPVSSYSA-N -1 3 287.337 1.152 20 10 CDCDHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000733365801 575116617 /nfs/dbraw/zinc/11/66/17/575116617.db2.gz SNVJZDRIRVIVTA-MRVPVSSYSA-N -1 3 291.394 1.349 20 10 CDCDHM CCOc1ccc(CN2CCC[C@H]2C(=O)OC)c([O-])c1 ZINC000768229907 575124617 /nfs/dbraw/zinc/12/46/17/575124617.db2.gz OMLCYPXCKJBYOK-ZDUSSCGKSA-N -1 3 279.336 1.928 20 10 CDCDHM CCOc1ccc(CN2CCn3cnnc3C2)c([O-])c1 ZINC000769360727 576348516 /nfs/dbraw/zinc/34/85/16/576348516.db2.gz UTEYLVAYEAWJNO-UHFFFAOYSA-N -1 3 274.324 1.398 20 10 CDCDHM CCO[C@H]1COCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000760448901 576485153 /nfs/dbraw/zinc/48/51/53/576485153.db2.gz OWKXINMEDFWBFG-ZJUUUORDSA-N -1 3 271.338 1.378 20 10 CDCDHM COC(=O)[C@]1(C)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000760641017 576498519 /nfs/dbraw/zinc/49/85/19/576498519.db2.gz KNLHBWNOZNFUPM-AWEZNQCLSA-N -1 3 279.292 1.266 20 10 CDCDHM CCOC(=O)[C@@H](C)NCc1c([O-])cccc1OC ZINC000763277299 576728471 /nfs/dbraw/zinc/72/84/71/576728471.db2.gz KINABWJKQORYIQ-SECBINFHSA-N -1 3 253.298 1.442 20 10 CDCDHM CCC(CC)(CO)CNC(=O)c1cc([O-])cs1 ZINC000753833712 576861445 /nfs/dbraw/zinc/86/14/45/576861445.db2.gz SIHNMQFRYQRFQY-UHFFFAOYSA-N -1 3 257.355 1.982 20 10 CDCDHM CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000820387623 598131258 /nfs/dbraw/zinc/13/12/58/598131258.db2.gz VHXAEZSOBOVHSF-SECBINFHSA-N -1 3 253.298 1.696 20 10 CDCDHM CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000820387623 598131259 /nfs/dbraw/zinc/13/12/59/598131259.db2.gz VHXAEZSOBOVHSF-SECBINFHSA-N -1 3 253.298 1.696 20 10 CDCDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCC(=O)[O-] ZINC000829496541 604769952 /nfs/dbraw/zinc/76/99/52/604769952.db2.gz HCHCECUWCHIAFP-NSHDSACASA-N -1 3 294.351 1.194 20 10 CDCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCC(=O)[O-] ZINC000829496541 604769955 /nfs/dbraw/zinc/76/99/55/604769955.db2.gz HCHCECUWCHIAFP-NSHDSACASA-N -1 3 294.351 1.194 20 10 CDCDHM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000833170587 605000294 /nfs/dbraw/zinc/00/02/94/605000294.db2.gz YUMCVUQWIDSCFL-OAHLLOKOSA-N -1 3 284.315 1.932 20 10 CDCDHM CNC(=O)NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895001633 619188228 /nfs/dbraw/zinc/18/82/28/619188228.db2.gz RZJRIHGKBXSVNM-UHFFFAOYSA-N -1 3 299.321 1.564 20 10 CDCDHM Cn1cc(CNCc2cc(F)cc(F)c2[O-])cn1 ZINC000708534860 694121510 /nfs/dbraw/zinc/12/15/10/694121510.db2.gz FQTKAMATSWYUNO-UHFFFAOYSA-N -1 3 253.252 1.694 20 10 CDCDHM CN(C)c1ccc(/C=C\CN2CC(C(=O)[O-])C2)cc1 ZINC000840998712 688383117 /nfs/dbraw/zinc/38/31/17/688383117.db2.gz OYXVNKHPMGWELV-ARJAWSKDSA-N -1 3 260.337 1.782 20 10 CDCDHM O=C(NC[C@H](CO)Cc1ccco1)c1cccc(O)c1[O-] ZINC000790528328 688388324 /nfs/dbraw/zinc/38/83/24/688388324.db2.gz RJVJUXVPOUPOMM-SNVBAGLBSA-N -1 3 291.303 1.272 20 10 CDCDHM CN1CCN(Cc2ccc3ccccc3c2[O-])CC1=O ZINC000816513409 694329313 /nfs/dbraw/zinc/32/93/13/694329313.db2.gz PQRCVIAIFYZUKX-UHFFFAOYSA-N -1 3 270.332 1.819 20 10 CDCDHM Cc1cc([O-])c([C@@H]2NC(=O)[C@@H]3CSCCN32)cc1Cl ZINC000849183719 692325862 /nfs/dbraw/zinc/32/58/62/692325862.db2.gz VYYZHEOKBTVYSJ-CMPLNLGQSA-N -1 3 298.795 1.900 20 10 CDCDHM COc1ccc(CNC(=O)c2ccc(O)cc2[O-])c(O)c1 ZINC000794387779 692868781 /nfs/dbraw/zinc/86/87/81/692868781.db2.gz MCTZLTVGPAGCNQ-UHFFFAOYSA-N -1 3 289.287 1.742 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN([C@H]2CCOC2)CC1 ZINC000827120150 693184861 /nfs/dbraw/zinc/18/48/61/693184861.db2.gz QBGGFZXFXCJPMZ-ZDUSSCGKSA-N -1 3 280.343 1.438 20 10 CDCDHM C[C@@H]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000398114418 693265388 /nfs/dbraw/zinc/26/53/88/693265388.db2.gz TYNHPOIZMUUOLQ-RKDXNWHRSA-N -1 3 251.282 1.395 20 10 CDCDHM Cn1ncc2c1CCCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000839803574 694661848 /nfs/dbraw/zinc/66/18/48/694661848.db2.gz NKAUOIKUEBHBIK-UHFFFAOYSA-N -1 3 287.319 1.420 20 10 CDCDHM CCOC(=O)[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000779020819 694676794 /nfs/dbraw/zinc/67/67/94/694676794.db2.gz TWBRCURLOOAXLL-CYBMUJFWSA-N -1 3 283.299 1.295 20 10 CDCDHM C[C@H](NCC(=O)NCC(F)F)c1cc(F)cc(F)c1[O-] ZINC000795846604 693472678 /nfs/dbraw/zinc/47/26/78/693472678.db2.gz ZHVQXWPLBKZBAU-LURJTMIESA-N -1 3 294.248 1.702 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827120246 693478174 /nfs/dbraw/zinc/47/81/74/693478174.db2.gz QQWAQNJKKWSDIJ-GFCCVEGCSA-N -1 3 296.798 1.952 20 10 CDCDHM O=C(NCC[C@@H](O)C1CCCC1)c1cccc(O)c1[O-] ZINC000831390777 694829981 /nfs/dbraw/zinc/82/99/81/694829981.db2.gz VFPWARZTCGMCNR-GFCCVEGCSA-N -1 3 279.336 1.769 20 10 CDCDHM CON(C)C(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858580737 694879332 /nfs/dbraw/zinc/87/93/32/694879332.db2.gz VHCOFLABPGAEOU-IUCAKERBSA-N -1 3 297.311 1.359 20 10 CDCDHM C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339337 1163157902 /nfs/dbraw/zinc/15/79/02/1163157902.db2.gz XIHYBTBTSXPLTF-ZJUUUORDSA-N -1 3 265.309 1.778 20 10 CDCDHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1O ZINC001605439620 1163564114 /nfs/dbraw/zinc/56/41/14/1163564114.db2.gz QXQVVCGDRPUFAD-QMMMGPOBSA-N -1 3 298.306 1.391 20 10 CDCDHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1O ZINC001605439620 1163564121 /nfs/dbraw/zinc/56/41/21/1163564121.db2.gz QXQVVCGDRPUFAD-QMMMGPOBSA-N -1 3 298.306 1.391 20 10 CDCDHM O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001608696624 1164608663 /nfs/dbraw/zinc/60/86/63/1164608663.db2.gz LEPHTNZKDQYIMY-ZWNOBZJWSA-N -1 3 293.319 1.257 20 10 CDCDHM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001608696624 1164608668 /nfs/dbraw/zinc/60/86/68/1164608668.db2.gz LEPHTNZKDQYIMY-ZWNOBZJWSA-N -1 3 293.319 1.257 20 10 CDCDHM CC[C@H]([NH2+]CCCOC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054277 1175736793 /nfs/dbraw/zinc/73/67/93/1175736793.db2.gz HKLORELRUMOCCN-LBPRGKRZSA-N -1 3 291.355 1.650 20 10 CDCDHM COC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])CC1CC1 ZINC000846458091 723638309 /nfs/dbraw/zinc/63/83/09/723638309.db2.gz QOAUZBZCXYPIQV-JTQLQIEISA-N -1 3 293.319 1.417 20 10 CDCDHM COC(=O)[C@@]1(C)COCCN1Cc1cc(F)ccc1[O-] ZINC001140056425 936675190 /nfs/dbraw/zinc/67/51/90/936675190.db2.gz WNYVCJKGYGUAHL-CQSZACIVSA-N -1 3 283.299 1.295 20 10 CDCDHM NC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001140461072 936711831 /nfs/dbraw/zinc/71/18/31/936711831.db2.gz DFLYFZRTLXOYLP-JTQLQIEISA-N -1 3 254.717 1.495 20 10 CDCDHM O=C1CN(Cc2ccc(Cl)cc2[O-])C[C@H]2CCCN12 ZINC001140465907 936712698 /nfs/dbraw/zinc/71/26/98/936712698.db2.gz UKTOLUWLCXALBC-GFCCVEGCSA-N -1 3 280.755 1.852 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CCN(CCCO)CC1 ZINC001142508674 937024692 /nfs/dbraw/zinc/02/46/92/937024692.db2.gz HKLYZVYHOHMRBS-UHFFFAOYSA-N -1 3 286.322 1.170 20 10 CDCDHM COc1cnc(F)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001150011088 937213544 /nfs/dbraw/zinc/21/35/44/937213544.db2.gz AMOLRMLJOPLMDQ-UHFFFAOYSA-N -1 3 278.239 1.893 20 10 CDCDHM C[C@@]1(NC(=O)c2cccc(O)c2[O-])CCO[C@@H]1C1CC1 ZINC001154079684 937501271 /nfs/dbraw/zinc/50/12/71/937501271.db2.gz SHJACGBXMUALEA-UKRRQHHQSA-N -1 3 277.320 1.785 20 10 CDCDHM CN1CCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001275267798 931719293 /nfs/dbraw/zinc/71/92/93/931719293.db2.gz XATOQCRRVJFCRQ-UHFFFAOYSA-N -1 3 252.745 1.936 20 10 CDCDHM CN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(O)c([O-])c(Cl)c1)C2 ZINC001275731967 931985560 /nfs/dbraw/zinc/98/55/60/931985560.db2.gz NQWNNHKJZSJYFN-SCZZXKLOSA-N -1 3 296.754 1.527 20 10 CDCDHM O=C(NCC1Oc2ccccc2O1)c1cccc(O)c1[O-] ZINC001148224863 932671482 /nfs/dbraw/zinc/67/14/82/932671482.db2.gz XSCRGAJWBAVTLP-UHFFFAOYSA-N -1 3 287.271 1.625 20 10 CDCDHM COC(=O)[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001148223938 932672083 /nfs/dbraw/zinc/67/20/83/932672083.db2.gz AHDDNSPUCLMVHC-RKDXNWHRSA-N -1 3 279.292 1.169 20 10 CDCDHM O=C(NCCOc1ccncc1)c1cccc(O)c1[O-] ZINC001148225041 932673745 /nfs/dbraw/zinc/67/37/45/932673745.db2.gz COWXKOWKMPSVQY-UHFFFAOYSA-N -1 3 274.276 1.302 20 10 CDCDHM CC(C)Cn1cnc(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148582881 932750316 /nfs/dbraw/zinc/75/03/16/932750316.db2.gz OYJFOIYUJSYFNH-UHFFFAOYSA-N -1 3 291.307 1.908 20 10 CDCDHM CN(C1COC1)C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203663969 939700037 /nfs/dbraw/zinc/70/00/37/939700037.db2.gz IIWZQODELIBPAD-UHFFFAOYSA-N -1 3 282.771 1.560 20 10 CDCDHM COC(=O)C1(O)CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664762 939700233 /nfs/dbraw/zinc/70/02/33/939700233.db2.gz VPHZKLXNHOEIKN-UHFFFAOYSA-N -1 3 299.754 1.546 20 10 CDCDHM CN1CC2(C1)CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231453397 942896894 /nfs/dbraw/zinc/89/68/94/942896894.db2.gz DZSIJKUHTVJWQG-UHFFFAOYSA-N -1 3 276.336 1.228 20 10 CDCDHM CN1CC2(C1)CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231453397 942896900 /nfs/dbraw/zinc/89/69/00/942896900.db2.gz DZSIJKUHTVJWQG-UHFFFAOYSA-N -1 3 276.336 1.228 20 10 CDCDHM CC(=O)N1CCCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332100 943546776 /nfs/dbraw/zinc/54/67/76/943546776.db2.gz YQVNCGYFIVAODZ-UHFFFAOYSA-N -1 3 284.306 1.725 20 10 CDCDHM COc1ccc(CN2CC[C@@H](O)C2)c([O-])c1Cl ZINC001236801088 944573842 /nfs/dbraw/zinc/57/38/42/944573842.db2.gz FTSQUJULFDWEBO-SECBINFHSA-N -1 3 257.717 1.621 20 10 CDCDHM CN1CC2(C1)CN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001237623444 944892981 /nfs/dbraw/zinc/89/29/81/944892981.db2.gz GCCMKKUSCATBDT-UHFFFAOYSA-N -1 3 270.735 1.932 20 10 CDCDHM CC(C)[C@H](O)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245922 994443563 /nfs/dbraw/zinc/44/35/63/994443563.db2.gz DXEUUICVUWUMAI-NOZJJQNGSA-N -1 3 267.325 1.758 20 10 CDCDHM C[C@H]([NH2+]CCSCCCO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271652 994605621 /nfs/dbraw/zinc/60/56/21/994605621.db2.gz KEGQGCWDXIKWLV-JTQLQIEISA-N -1 3 299.392 1.857 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CC(=O)[O-] ZINC001599680598 994975444 /nfs/dbraw/zinc/97/54/44/994975444.db2.gz ZKGOKYGYZYLFOQ-JTQLQIEISA-N -1 3 265.309 1.840 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC001599680598 994975455 /nfs/dbraw/zinc/97/54/55/994975455.db2.gz ZKGOKYGYZYLFOQ-JTQLQIEISA-N -1 3 265.309 1.840 20 10 CDCDHM CCC[C@@H](O)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605221136 1163491983 /nfs/dbraw/zinc/49/19/83/1163491983.db2.gz IKHAMXCTCXNKSB-MWLCHTKSSA-N -1 3 267.325 1.902 20 10 CDCDHM Cc1ccc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c([O-])c1O ZINC000274524865 365700008 /nfs/dbraw/zinc/70/00/08/365700008.db2.gz PNSROTKYRUJLRB-ZRNGKTOUSA-N -1 3 285.365 1.245 20 10 CDCDHM C[C@@H](NCC(=O)NCC1CC1)c1ccc(F)c(F)c1[O-] ZINC000187908942 357821474 /nfs/dbraw/zinc/82/14/74/357821474.db2.gz SLPFXDZAFDBTRH-MRVPVSSYSA-N -1 3 284.306 1.847 20 10 CDCDHM Cc1ccc(C(=O)NCCOCC(F)F)c([O-])c1O ZINC000188051246 357839846 /nfs/dbraw/zinc/83/98/46/357839846.db2.gz MTCRVVGQQHOUMW-UHFFFAOYSA-N -1 3 275.251 1.418 20 10 CDCDHM CC1(C)C[C@@H](O)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000296881827 200024156 /nfs/dbraw/zinc/02/41/56/200024156.db2.gz JHMLXPCAMAVOMA-JTQLQIEISA-N -1 3 279.336 1.721 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@](O)(C2CC2)C1 ZINC000365925585 360563746 /nfs/dbraw/zinc/56/37/46/360563746.db2.gz JCOHOCVZOLYCJE-AWEZNQCLSA-N -1 3 263.293 1.085 20 10 CDCDHM O=C(/C=C/c1ccc(O)c(O)c1)[N-]O[C@H]1CCCCO1 ZINC000272432507 365234078 /nfs/dbraw/zinc/23/40/78/365234078.db2.gz LKTFKAWLWPVKDS-DYLGSBMWSA-N -1 3 279.292 1.685 20 10 CDCDHM CNC(=O)CCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175633231 261236084 /nfs/dbraw/zinc/23/60/84/261236084.db2.gz FTEYUTGULPFHRY-UHFFFAOYSA-N -1 3 282.315 1.302 20 10 CDCDHM Cc1nc([C@@H]2COCCN2Cc2cc(F)ccc2[O-])no1 ZINC000373111444 391106028 /nfs/dbraw/zinc/10/60/28/391106028.db2.gz HGWRWVMFKKJUKD-LBPRGKRZSA-N -1 3 293.298 1.796 20 10 CDCDHM Cc1ccc(C(=O)NCC(=O)N2CCCCC2)c([O-])c1O ZINC000177681357 391174702 /nfs/dbraw/zinc/17/47/02/391174702.db2.gz OPBCZDCBMKISOS-UHFFFAOYSA-N -1 3 292.335 1.149 20 10 CDCDHM CC[C@@](C)(CCO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000183001377 391248375 /nfs/dbraw/zinc/24/83/75/391248375.db2.gz GYNRROZAIUPEPK-AWEZNQCLSA-N -1 3 267.325 1.687 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)Cn2cccn2)c([O-])c1O ZINC000271331314 391293391 /nfs/dbraw/zinc/29/33/91/391293391.db2.gz ZCCWUCPKWMTQBZ-SNVBAGLBSA-N -1 3 275.308 1.421 20 10 CDCDHM CC(C)NC(=O)CNCc1cccc(Cl)c1[O-] ZINC000124640964 391397685 /nfs/dbraw/zinc/39/76/85/391397685.db2.gz NJLVATKAENJSEH-UHFFFAOYSA-N -1 3 256.733 1.660 20 10 CDCDHM O=C(N[C@H]1CCCOCC1)c1cccc(O)c1[O-] ZINC000193153462 227010186 /nfs/dbraw/zinc/01/01/86/227010186.db2.gz RDUIVWSACFIRPX-VIFPVBQESA-N -1 3 251.282 1.397 20 10 CDCDHM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126644015 260355630 /nfs/dbraw/zinc/35/56/30/260355630.db2.gz FBUNEXTZTWHNLG-QWRGUYRKSA-N -1 3 279.336 1.863 20 10 CDCDHM C[C@H]1CS(=O)(=O)CCN1Cc1cc(F)ccc1[O-] ZINC000180172451 261844769 /nfs/dbraw/zinc/84/47/69/261844769.db2.gz COJUDXHEDNISTC-VIFPVBQESA-N -1 3 273.329 1.150 20 10 CDCDHM CO[C@H](C)CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591322420 1173607002 /nfs/dbraw/zinc/60/70/02/1173607002.db2.gz QNUGKYYCWOSAJH-NXEZZACHSA-N -1 3 291.355 1.648 20 10 CDCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1O ZINC000275940926 326950290 /nfs/dbraw/zinc/95/02/90/326950290.db2.gz XITQMYYLAZUXBU-LLVKDONJSA-N -1 3 265.309 1.331 20 10 CDCDHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(F)ccc1[O-] ZINC000378502599 329053153 /nfs/dbraw/zinc/05/31/53/329053153.db2.gz VZBNPPZJURLZEW-OLZOCXBDSA-N -1 3 297.326 1.684 20 10 CDCDHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccccc1[O-] ZINC000360001736 329069893 /nfs/dbraw/zinc/06/98/93/329069893.db2.gz WOPODKIIWWGGTG-CHWSQXEVSA-N -1 3 279.336 1.545 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000187024779 329351650 /nfs/dbraw/zinc/35/16/50/329351650.db2.gz BHSDHWYCCMGUNX-SNVBAGLBSA-N -1 3 287.319 1.841 20 10 CDCDHM CO[C@@H]1CCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000790916526 1162177432 /nfs/dbraw/zinc/17/74/32/1162177432.db2.gz TVFCJOXPTJIWFZ-JOYOIKCWSA-N -1 3 265.309 1.643 20 10 CDCDHM CN(Cc1nncn1C)Cc1cc(F)ccc1[O-] ZINC000289994442 523612050 /nfs/dbraw/zinc/61/20/50/523612050.db2.gz CNKZDZAXLPCMTQ-UHFFFAOYSA-N -1 3 250.277 1.292 20 10 CDCDHM O=C1CN(Cc2cc(F)ccc2[O-])CN1C1CC1 ZINC000280578011 527003822 /nfs/dbraw/zinc/00/38/22/527003822.db2.gz WJNNQCBXPMOWPU-UHFFFAOYSA-N -1 3 250.273 1.295 20 10 CDCDHM CC[C@@H]1C(=O)NCCN1Cc1c([O-])ccc2ccncc21 ZINC000730254796 574904757 /nfs/dbraw/zinc/90/47/57/574904757.db2.gz URUGZUBXVFGVHG-CQSZACIVSA-N -1 3 285.347 1.651 20 10 CDCDHM O=C(NC[C@@H](O)c1ccco1)c1cc([O-])cs1 ZINC000732271108 575085358 /nfs/dbraw/zinc/08/53/58/575085358.db2.gz BHIZNXKMYPWPSZ-MRVPVSSYSA-N -1 3 253.279 1.510 20 10 CDCDHM CN(Cc1c([O-])cccc1Cl)[C@@H]1CCNC1=O ZINC000770381713 575443453 /nfs/dbraw/zinc/44/34/53/575443453.db2.gz PIXVYZOBWXODCJ-SNVBAGLBSA-N -1 3 254.717 1.366 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCOC[C@H]1C1CC1 ZINC000760998109 576533710 /nfs/dbraw/zinc/53/37/10/576533710.db2.gz PAYLVLQOPTVAAH-JTQLQIEISA-N -1 3 253.323 1.705 20 10 CDCDHM C[C@H](O)[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000747617035 576876998 /nfs/dbraw/zinc/87/69/98/576876998.db2.gz NYOOQXZDFDWIRM-IUCAKERBSA-N -1 3 255.339 1.687 20 10 CDCDHM CCOC(=O)CN(CC)C(=O)c1cc([O-])cs1 ZINC000754479256 576898083 /nfs/dbraw/zinc/89/80/83/576898083.db2.gz ATVSRVDRGRHNDE-UHFFFAOYSA-N -1 3 257.311 1.479 20 10 CDCDHM NC(=O)[C@H](Cc1ccccc1)OC(=O)c1cc([O-])cs1 ZINC000754814545 576917027 /nfs/dbraw/zinc/91/70/27/576917027.db2.gz GJNAPKVLBXRBAQ-NSHDSACASA-N -1 3 291.328 1.707 20 10 CDCDHM C[C@H](N[C@@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638796 576997948 /nfs/dbraw/zinc/99/79/48/576997948.db2.gz RUNHNBRIRPJVMY-JOYOIKCWSA-N -1 3 293.323 1.572 20 10 CDCDHM CCOC(=O)[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000752815908 577129465 /nfs/dbraw/zinc/12/94/65/577129465.db2.gz OXJBWRYBAYYRBA-SSDOTTSWSA-N -1 3 257.311 1.383 20 10 CDCDHM CC(C)S(=O)(=O)CCCOC(=O)c1cc([O-])cs1 ZINC000758946565 577142867 /nfs/dbraw/zinc/14/28/67/577142867.db2.gz PHJJZISSGDSNPZ-UHFFFAOYSA-N -1 3 292.378 1.824 20 10 CDCDHM COc1ccc(O)c(CNCc2ccoc2C(=O)[O-])c1 ZINC000833733714 605095026 /nfs/dbraw/zinc/09/50/26/605095026.db2.gz NHGHWDSIFDVIEJ-UHFFFAOYSA-N -1 3 277.276 1.982 20 10 CDCDHM CN1C(=O)C(=Cc2c(F)ccc([O-])c2F)C(=O)N(C)C1=O ZINC000794926789 619471018 /nfs/dbraw/zinc/47/10/18/619471018.db2.gz OGDATFQWPZURKJ-UHFFFAOYSA-N -1 3 296.229 1.104 20 10 CDCDHM CO[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000895970726 619928617 /nfs/dbraw/zinc/92/86/17/619928617.db2.gz UTMLFNNJNYAECL-LBPRGKRZSA-N -1 3 257.717 1.850 20 10 CDCDHM Cc1n[nH]c(C)c1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179434083 695888708 /nfs/dbraw/zinc/88/87/08/695888708.db2.gz QZKGGGUODVANPL-UHFFFAOYSA-N -1 3 261.281 1.998 20 10 CDCDHM CN(C)c1noc(CNCc2cc(F)ccc2[O-])n1 ZINC000186415401 695945824 /nfs/dbraw/zinc/94/58/24/695945824.db2.gz GBZQMNPZEPWJPS-UHFFFAOYSA-N -1 3 266.276 1.270 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(OCC(F)F)C1 ZINC000707269892 696210511 /nfs/dbraw/zinc/21/05/11/696210511.db2.gz HVPLRTPJVSFORY-UHFFFAOYSA-N -1 3 273.235 1.204 20 10 CDCDHM C[C@H]([NH2+]C1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604330163 1163153300 /nfs/dbraw/zinc/15/33/00/1163153300.db2.gz VTMPBBJQDHVUBO-VIFPVBQESA-N -1 3 265.309 1.920 20 10 CDCDHM Cc1ccc(O)c(CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC001600465241 1174484012 /nfs/dbraw/zinc/48/40/12/1174484012.db2.gz UPAPLIINFHFYJN-CYBMUJFWSA-N -1 3 253.273 1.699 20 10 CDCDHM CC(C)OCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603354707 1175546477 /nfs/dbraw/zinc/54/64/77/1175546477.db2.gz WFKXEFOMWCTYOX-SNVBAGLBSA-N -1 3 291.355 1.648 20 10 CDCDHM CN1C(=O)C2(CCOCC2)N[C@@H]1c1cc(F)ccc1[O-] ZINC000887336266 724398502 /nfs/dbraw/zinc/39/85/02/724398502.db2.gz ZNNYMNCDUNKFES-LBPRGKRZSA-N -1 3 280.299 1.141 20 10 CDCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])c(=O)[nH]1 ZINC000790931503 723766976 /nfs/dbraw/zinc/76/69/76/723766976.db2.gz ZLOKFXSTRJSZEL-UHFFFAOYSA-N -1 3 260.249 1.759 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)[S@@]1=O ZINC000791181223 724162688 /nfs/dbraw/zinc/16/26/88/724162688.db2.gz HUJWYBVTZQCXBR-MCCHPSBSSA-N -1 3 283.349 1.079 20 10 CDCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)C(=O)NCCF ZINC000800294013 724082404 /nfs/dbraw/zinc/08/24/04/724082404.db2.gz SMCHFFVKLIWHGA-SSDOTTSWSA-N -1 3 292.713 1.749 20 10 CDCDHM CNC(=O)CN(C)Cc1cccc(Br)c1[O-] ZINC000132593786 724282241 /nfs/dbraw/zinc/28/22/41/724282241.db2.gz MHDJDUSUJXGKBY-UHFFFAOYSA-N -1 3 287.157 1.333 20 10 CDCDHM CC1(C)C(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000093084527 724795584 /nfs/dbraw/zinc/79/55/84/724795584.db2.gz OPHUQUQMVBAORQ-UHFFFAOYSA-N -1 3 268.744 1.756 20 10 CDCDHM C[C@@H]1N(C(=O)c2cccc(O)c2[O-])CCOC1(C)C ZINC000707348334 725162015 /nfs/dbraw/zinc/16/20/15/725162015.db2.gz PINGILRZGGXYOH-VIFPVBQESA-N -1 3 265.309 1.737 20 10 CDCDHM CCn1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1=O ZINC000177674854 725195030 /nfs/dbraw/zinc/19/50/30/725195030.db2.gz LYAUDWJDTODQCQ-UHFFFAOYSA-N -1 3 288.303 1.840 20 10 CDCDHM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cccc(O)c1[O-] ZINC000187124235 725233099 /nfs/dbraw/zinc/23/30/99/725233099.db2.gz YANBWGITWTXVMJ-NXEZZACHSA-N -1 3 265.309 1.379 20 10 CDCDHM O=C(NCCNc1ccccc1)c1cccc(O)c1[O-] ZINC000790745005 725315348 /nfs/dbraw/zinc/31/53/48/725315348.db2.gz JURBBMDKKFPDDB-UHFFFAOYSA-N -1 3 272.304 1.940 20 10 CDCDHM Cn1cncc1CNCc1cc(F)cc(F)c1[O-] ZINC000708501753 725385952 /nfs/dbraw/zinc/38/59/52/725385952.db2.gz IJFOQRZKIOEACK-UHFFFAOYSA-N -1 3 253.252 1.694 20 10 CDCDHM CCOC(=O)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000791116867 725399548 /nfs/dbraw/zinc/39/95/48/725399548.db2.gz DPWFMDDRRCPBMW-MRVPVSSYSA-N -1 3 267.281 1.169 20 10 CDCDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C2=CC(=O)CS2)n1 ZINC000824155069 725405032 /nfs/dbraw/zinc/40/50/32/725405032.db2.gz WNPCOWWGSOWKBN-UHFFFAOYSA-N -1 3 293.348 1.923 20 10 CDCDHM CC1(CO)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193163789 725414698 /nfs/dbraw/zinc/41/46/98/725414698.db2.gz HTHSWTCZWQQPDH-UHFFFAOYSA-N -1 3 265.309 1.332 20 10 CDCDHM Cn1ncnc1CNCc1cc(Cl)ccc1[O-] ZINC000389305507 725436768 /nfs/dbraw/zinc/43/67/68/725436768.db2.gz MKYFPFOKPUNFJU-UHFFFAOYSA-N -1 3 252.705 1.464 20 10 CDCDHM O=S1CC2(CN(Cc3cc(F)ccc3[O-])C2)C1 ZINC001140057858 936674846 /nfs/dbraw/zinc/67/48/46/936674846.db2.gz QCVOTSREMOZVSG-UHFFFAOYSA-N -1 3 255.314 1.096 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CCN(C2COC2)CC1 ZINC001140461015 936712009 /nfs/dbraw/zinc/71/20/09/936712009.db2.gz BEYKCYJDWFVEGU-UHFFFAOYSA-N -1 3 282.771 1.562 20 10 CDCDHM O=C1CN(Cc2ccc(Cl)cc2[O-])C[C@@H]2CCCN12 ZINC001140465911 936712164 /nfs/dbraw/zinc/71/21/64/936712164.db2.gz UKTOLUWLCXALBC-LBPRGKRZSA-N -1 3 280.755 1.852 20 10 CDCDHM NC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467478 936713338 /nfs/dbraw/zinc/71/33/38/936713338.db2.gz VVBNAKBEGJJCIQ-UHFFFAOYSA-N -1 3 269.732 1.242 20 10 CDCDHM Cc1cc(CNC(=O)c2ccc(O)c([O-])c2Cl)n[nH]1 ZINC001193237053 923557428 /nfs/dbraw/zinc/55/74/28/923557428.db2.gz VQTBIGWSMPTREC-UHFFFAOYSA-N -1 3 281.699 1.713 20 10 CDCDHM COC(=O)[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508734 937025359 /nfs/dbraw/zinc/02/53/59/937025359.db2.gz JTSATRAKLGWLGA-QMMMGPOBSA-N -1 3 271.263 1.665 20 10 CDCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cncnc1 ZINC001117507327 937530277 /nfs/dbraw/zinc/53/02/77/937530277.db2.gz IARDPYZMLJQQFT-UHFFFAOYSA-N -1 3 275.655 1.919 20 10 CDCDHM [O-]c1c(F)cccc1CN1Cc2ccnn2CC[C@H]1CO ZINC001138131125 932480784 /nfs/dbraw/zinc/48/07/84/932480784.db2.gz RBXAZOUYHXKKRJ-ZDUSSCGKSA-N -1 3 291.326 1.495 20 10 CDCDHM O=C(NC[C@H]1CCCCO1)c1cc(O)c([O-])c(O)c1 ZINC001148589528 932753192 /nfs/dbraw/zinc/75/31/92/932753192.db2.gz AKBNBMFWWHHYAV-SECBINFHSA-N -1 3 267.281 1.102 20 10 CDCDHM C[C@@H]1C[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)CCO1 ZINC001148591342 932754128 /nfs/dbraw/zinc/75/41/28/932754128.db2.gz YHRGSJZKHRBFKI-APPZFPTMSA-N -1 3 267.281 1.101 20 10 CDCDHM C[C@@]1(O)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452092 942895730 /nfs/dbraw/zinc/89/57/30/942895730.db2.gz DBDYWHBDYMKYFO-CQSZACIVSA-N -1 3 265.309 1.437 20 10 CDCDHM C[C@@]1(O)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452092 942895735 /nfs/dbraw/zinc/89/57/35/942895735.db2.gz DBDYWHBDYMKYFO-CQSZACIVSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001231451326 942896073 /nfs/dbraw/zinc/89/60/73/942896073.db2.gz XJAYHAKZTSTAPF-TXEJJXNPSA-N -1 3 263.293 1.169 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001231451326 942896079 /nfs/dbraw/zinc/89/60/79/942896079.db2.gz XJAYHAKZTSTAPF-TXEJJXNPSA-N -1 3 263.293 1.169 20 10 CDCDHM C[N@H+](CCC1OCCO1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455884 942897800 /nfs/dbraw/zinc/89/78/00/942897800.db2.gz WCUOYSQQIXENOC-UHFFFAOYSA-N -1 3 281.308 1.285 20 10 CDCDHM C[N@@H+](CCC1OCCO1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455884 942897803 /nfs/dbraw/zinc/89/78/03/942897803.db2.gz WCUOYSQQIXENOC-UHFFFAOYSA-N -1 3 281.308 1.285 20 10 CDCDHM CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455734 942899065 /nfs/dbraw/zinc/89/90/65/942899065.db2.gz UUWSUIFWSKJUOO-ZDUSSCGKSA-N -1 3 279.336 1.826 20 10 CDCDHM CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455734 942899067 /nfs/dbraw/zinc/89/90/67/942899067.db2.gz UUWSUIFWSKJUOO-ZDUSSCGKSA-N -1 3 279.336 1.826 20 10 CDCDHM COc1cc([O-])c(CN2CCCC[C@@H]2C(N)=O)cc1Cl ZINC001232265361 943194388 /nfs/dbraw/zinc/19/43/88/943194388.db2.gz URKTWSBRLDXXPM-LLVKDONJSA-N -1 3 298.770 1.894 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H](CO)C1 ZINC001233331656 943545528 /nfs/dbraw/zinc/54/55/28/943545528.db2.gz FNORWRCCASOWRG-VIFPVBQESA-N -1 3 257.280 1.875 20 10 CDCDHM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001589440814 954710193 /nfs/dbraw/zinc/71/01/93/954710193.db2.gz AKTQXPZNSLVMBN-PWSUYJOCSA-N -1 3 281.308 1.113 20 10 CDCDHM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001589440814 954710204 /nfs/dbraw/zinc/71/02/04/954710204.db2.gz AKTQXPZNSLVMBN-PWSUYJOCSA-N -1 3 281.308 1.113 20 10 CDCDHM COC[C@]1(C(=O)[O-])CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001593967836 956579034 /nfs/dbraw/zinc/57/90/34/956579034.db2.gz XXPLKPMUMRRYBC-HNNXBMFYSA-N -1 3 279.336 1.624 20 10 CDCDHM COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001593967836 956579045 /nfs/dbraw/zinc/57/90/45/956579045.db2.gz XXPLKPMUMRRYBC-HNNXBMFYSA-N -1 3 279.336 1.624 20 10 CDCDHM O=C([O-])[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000716289292 977826845 /nfs/dbraw/zinc/82/68/45/977826845.db2.gz KKPMLEQYUSLVFP-PRHODGIISA-N -1 3 269.272 1.111 20 10 CDCDHM C[C@@H]([NH2+][C@H](CO)CCF)c1cc(C(=O)[O-])ccc1[O-] ZINC001593209511 994238601 /nfs/dbraw/zinc/23/86/01/994238601.db2.gz MLSJYPGZFDEGIV-SCZZXKLOSA-N -1 3 271.288 1.462 20 10 CDCDHM COCC1([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001599200795 997302470 /nfs/dbraw/zinc/30/24/70/997302470.db2.gz UOFGNXULLDWPGU-VIFPVBQESA-N -1 3 265.309 1.920 20 10 CDCDHM COc1ccc(N2CCN([C@H](C)C(=O)[O-])CC2)cc1F ZINC000237281120 359548961 /nfs/dbraw/zinc/54/89/61/359548961.db2.gz DZAGEUNWPGUZAZ-SNVBAGLBSA-N -1 3 282.315 1.429 20 10 CDCDHM CC(C)[C@@H](CCO)NC(=O)c1cccc(O)c1[O-] ZINC000230107635 360243495 /nfs/dbraw/zinc/24/34/95/360243495.db2.gz LWNJFZDGMGUESA-SNVBAGLBSA-N -1 3 253.298 1.235 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCN2CCOC[C@@H]2C1 ZINC000375237244 370798227 /nfs/dbraw/zinc/79/82/27/370798227.db2.gz MXLJHBSSIWGEQB-ZDUSSCGKSA-N -1 3 266.316 1.048 20 10 CDCDHM COc1cc(Cl)cc(CN2CCO[C@@H](CO)C2)c1[O-] ZINC000273739695 365520448 /nfs/dbraw/zinc/52/04/48/365520448.db2.gz LSMSWHNOXKSKBQ-LLVKDONJSA-N -1 3 287.743 1.247 20 10 CDCDHM COC(=O)C(C)(C)CCNC(=O)c1cccc(O)c1[O-] ZINC000286489033 368855072 /nfs/dbraw/zinc/85/50/72/368855072.db2.gz QJNFITUFKLIJRB-UHFFFAOYSA-N -1 3 281.308 1.417 20 10 CDCDHM CCCCOCCNC(=O)CN(C)Cc1ccccc1[O-] ZINC000109773807 390648781 /nfs/dbraw/zinc/64/87/81/390648781.db2.gz HWNLRYJJVRAWCK-UHFFFAOYSA-N -1 3 294.395 1.757 20 10 CDCDHM CCNC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000121589910 390888911 /nfs/dbraw/zinc/88/89/11/390888911.db2.gz JHGIQFWQGQGQMQ-UHFFFAOYSA-N -1 3 297.786 1.893 20 10 CDCDHM CCCOc1ccc(CN2CCS(=O)(=O)CC2)c([O-])c1 ZINC000132285117 390895334 /nfs/dbraw/zinc/89/53/34/390895334.db2.gz YIZSHRKBVOCXMJ-UHFFFAOYSA-N -1 3 299.392 1.411 20 10 CDCDHM CN(CC(N)=O)Cc1cc(Br)ccc1[O-] ZINC000132600103 390898116 /nfs/dbraw/zinc/89/81/16/390898116.db2.gz QXHVCWRALKTZGG-UHFFFAOYSA-N -1 3 273.130 1.072 20 10 CDCDHM CC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000131783067 390929804 /nfs/dbraw/zinc/92/98/04/390929804.db2.gz GXJNXLWJWGBGNA-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000376231966 391219618 /nfs/dbraw/zinc/21/96/18/391219618.db2.gz UBXSTVABHHRFMW-YPMHNXCESA-N -1 3 293.319 1.118 20 10 CDCDHM CN(C(=O)/C=C/c1cncc([O-])c1)c1cnn(C)c1 ZINC000182042846 391200769 /nfs/dbraw/zinc/20/07/69/391200769.db2.gz SYBCZJSIMSFEML-ONEGZZNKSA-N -1 3 258.281 1.197 20 10 CDCDHM Cc1ccc(C(=O)N2CCO[C@H]3CCC[C@@H]32)c([O-])c1O ZINC000272765320 301511367 /nfs/dbraw/zinc/51/13/67/301511367.db2.gz LZUQCGIKELVVCV-RYUDHWBXSA-N -1 3 277.320 1.800 20 10 CDCDHM Cc1c([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cnn1C ZINC000181943377 327811370 /nfs/dbraw/zinc/81/13/70/327811370.db2.gz RAUIRVXYUURJEO-VIFPVBQESA-N -1 3 289.335 1.939 20 10 CDCDHM CCOC(=O)C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000274935997 520423900 /nfs/dbraw/zinc/42/39/00/520423900.db2.gz FHPKBQQRDJWQMM-UHFFFAOYSA-N -1 3 267.281 1.169 20 10 CDCDHM CN(Cc1nnc2n1CCCC2)Cc1ccccc1[O-] ZINC000264674510 523611048 /nfs/dbraw/zinc/61/10/48/523611048.db2.gz AFCHXDDIRCLKGK-UHFFFAOYSA-N -1 3 272.352 1.952 20 10 CDCDHM C[C@H]1CCN(Cc2ccccc2[O-])CC[S@]1=O ZINC000277655735 524299360 /nfs/dbraw/zinc/29/93/60/524299360.db2.gz ORBWSPLDRORWPI-GTNSWQLSSA-N -1 3 253.367 1.735 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@@]23CCOC3=O)c([O-])c1O ZINC000275240855 526102919 /nfs/dbraw/zinc/10/29/19/526102919.db2.gz KSXXXLMANSQASR-HNNXBMFYSA-N -1 3 291.303 1.328 20 10 CDCDHM O=c1cc2c(n[nH]1)CCN(Cc1cccc(Cl)c1[O-])C2 ZINC000274889098 527484494 /nfs/dbraw/zinc/48/44/94/527484494.db2.gz DFIMCFFUOVYSRA-UHFFFAOYSA-N -1 3 291.738 1.687 20 10 CDCDHM Cc1ccc(O)c(CN2C[C@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC001600465423 1174483787 /nfs/dbraw/zinc/48/37/87/1174483787.db2.gz YUXBOOVZKYJJCQ-GWCFXTLKSA-N -1 3 265.309 1.375 20 10 CDCDHM CN(Cc1cc(Cl)ccc1[O-])[C@H]1CCNC1=O ZINC000770380048 575442882 /nfs/dbraw/zinc/44/28/82/575442882.db2.gz LIQOKAARCMNUCG-JTQLQIEISA-N -1 3 254.717 1.366 20 10 CDCDHM CC(=O)N1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000731865863 575066897 /nfs/dbraw/zinc/06/68/97/575066897.db2.gz UZJXYFJAQBUOJG-UHFFFAOYSA-N -1 3 268.338 1.194 20 10 CDCDHM CN(C)c1ccc(CNC(=O)c2cc([O-])cs2)cn1 ZINC000731868899 575068604 /nfs/dbraw/zinc/06/86/04/575068604.db2.gz CMQFVGGMOUOASC-UHFFFAOYSA-N -1 3 277.349 1.845 20 10 CDCDHM NC(=O)Cc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731869015 575069097 /nfs/dbraw/zinc/06/90/97/575069097.db2.gz IBYVJPILSJZZGG-UHFFFAOYSA-N -1 3 276.317 1.734 20 10 CDCDHM COc1cccc([C@H](O)CNC(=O)c2cc([O-])cs2)c1 ZINC000732297631 575086118 /nfs/dbraw/zinc/08/61/18/575086118.db2.gz QQNGGBIPJDUBIK-GFCCVEGCSA-N -1 3 293.344 1.926 20 10 CDCDHM COc1c([O-])c(CNCc2cccnc2)ccc1[N+](=O)[O-] ZINC000774943460 575253850 /nfs/dbraw/zinc/25/38/50/575253850.db2.gz ULEIOMNWQAZEEZ-UHFFFAOYSA-N -1 3 289.291 1.994 20 10 CDCDHM CCC[C@H]1C(=O)NCCN1Cc1c([O-])cccc1OC ZINC000769516940 575355311 /nfs/dbraw/zinc/35/53/11/575355311.db2.gz VRSQYRVWCRHPBV-LBPRGKRZSA-N -1 3 278.352 1.501 20 10 CDCDHM COc1cccc([O-])c1CN1CCC[C@@H](S(C)(=O)=O)C1 ZINC000764676752 575933063 /nfs/dbraw/zinc/93/30/63/575933063.db2.gz BURBIIOSZWXJTC-LLVKDONJSA-N -1 3 299.392 1.410 20 10 CDCDHM Cc1ccc(C(=O)OCc2cc(=O)c([O-])co2)c(O)c1O ZINC000761130502 576553013 /nfs/dbraw/zinc/55/30/13/576553013.db2.gz HMJCTPGAMXJLKU-UHFFFAOYSA-N -1 3 292.243 1.422 20 10 CDCDHM COc1cccc([O-])c1CN1CC[S@](=O)C[C@H](C)C1 ZINC000763646834 576745691 /nfs/dbraw/zinc/74/56/91/576745691.db2.gz COYWJUMGMHMFED-WYRIXSBYSA-N -1 3 283.393 1.601 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC2(CNC(=O)C2)CC1 ZINC000752807707 577128976 /nfs/dbraw/zinc/12/89/76/577128976.db2.gz LLGQPSXABJETBS-UHFFFAOYSA-N -1 3 280.349 1.196 20 10 CDCDHM CCOc1ccc(C[NH2+][C@H](CC)C(=O)[O-])c([O-])c1 ZINC000818240091 597153178 /nfs/dbraw/zinc/15/31/78/597153178.db2.gz TUDUEUZOHJAIQZ-LLVKDONJSA-N -1 3 253.298 1.744 20 10 CDCDHM C[C@@]1(C2CC2)COCCN1C(=O)c1cccc(O)c1[O-] ZINC000890587125 617221995 /nfs/dbraw/zinc/22/19/95/617221995.db2.gz WURDFRLNFUTCKK-HNNXBMFYSA-N -1 3 277.320 1.739 20 10 CDCDHM C[C@@H]1C[C@H](O)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894945610 619152343 /nfs/dbraw/zinc/15/23/43/619152343.db2.gz BDCIZYKBHNMQTA-KCJUWKMLSA-N -1 3 257.280 1.873 20 10 CDCDHM C[C@@H]1[C@H](C)N(C(=O)c2cccc(O)c2[O-])[C@@H](C)C(=O)N1C ZINC000912015915 629735726 /nfs/dbraw/zinc/73/57/26/629735726.db2.gz VPVSCNLXZDDGCK-UTLUCORTSA-N -1 3 292.335 1.178 20 10 CDCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(N)cc2)c1 ZINC001575023406 1171087974 /nfs/dbraw/zinc/08/79/74/1171087974.db2.gz VULRCMIUUJJOOW-UHFFFAOYSA-N -1 3 299.330 1.863 20 10 CDCDHM CCOC(=O)[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000779020820 726034767 /nfs/dbraw/zinc/03/47/67/726034767.db2.gz TWBRCURLOOAXLL-ZDUSSCGKSA-N -1 3 283.299 1.295 20 10 CDCDHM C[C@@H]1COCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000804616875 726075703 /nfs/dbraw/zinc/07/57/03/726075703.db2.gz DDMFVYMDKHFRHD-NXEZZACHSA-N -1 3 265.309 1.500 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](C)S1=O ZINC000792192726 727002350 /nfs/dbraw/zinc/00/23/50/727002350.db2.gz PODZMFQBZYLVLQ-NXEZZACHSA-N -1 3 271.357 1.873 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@]2(C)CO)c1[O-] ZINC000878983749 727082773 /nfs/dbraw/zinc/08/27/73/727082773.db2.gz QFASGOHJJRSPPA-IUODEOHRSA-N -1 3 297.326 1.052 20 10 CDCDHM CCN(C[C@H]1CCOC1)C(=O)c1cccc(O)c1[O-] ZINC000790590010 727258817 /nfs/dbraw/zinc/25/88/17/727258817.db2.gz NFRMCOQZCOGMTA-SNVBAGLBSA-N -1 3 265.309 1.596 20 10 CDCDHM CN1CCN(Cc2ccc(Br)cc2[O-])CC1=O ZINC000824824335 727340978 /nfs/dbraw/zinc/34/09/78/727340978.db2.gz JSDKXWCCCHNBBI-UHFFFAOYSA-N -1 3 299.168 1.429 20 10 CDCDHM CCCN(CC(N)=O)Cc1c([O-])cccc1Cl ZINC000310453741 727352942 /nfs/dbraw/zinc/35/29/42/727352942.db2.gz WFLMSYWXILAMNQ-UHFFFAOYSA-N -1 3 256.733 1.743 20 10 CDCDHM Cn1ncc(C2CC2)c1CNC(=O)c1cccc(O)c1[O-] ZINC000855791065 728032273 /nfs/dbraw/zinc/03/22/73/728032273.db2.gz KMOVPFLBEYWRKI-UHFFFAOYSA-N -1 3 287.319 1.639 20 10 CDCDHM COC1([C@@H](C)NC(=O)c2cccc(O)c2[O-])CCC1 ZINC000839877092 728233605 /nfs/dbraw/zinc/23/36/05/728233605.db2.gz IOPUGWVPRQKCLG-SECBINFHSA-N -1 3 265.309 1.785 20 10 CDCDHM COC(=O)N1CC(N[C@@H](C)c2cc(C(=O)[O-])ccc2O)C1 ZINC001610189031 1165249019 /nfs/dbraw/zinc/24/90/19/1165249019.db2.gz XOBAYXDXQRSIQG-QMMMGPOBSA-N -1 3 294.307 1.192 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H](CO)C1 ZINC001140461855 896166022 /nfs/dbraw/zinc/16/60/22/896166022.db2.gz VVPRWOYJKMKDEH-NSHDSACASA-N -1 3 257.717 1.239 20 10 CDCDHM C[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2[O-])[C@@H](C)O1 ZINC000686402243 899880067 /nfs/dbraw/zinc/88/00/67/899880067.db2.gz XEMLRWQYJVQBOK-OPRDCNLKSA-N -1 3 265.309 1.641 20 10 CDCDHM CN(Cc1cccc(F)c1[O-])C1CCS(=O)(=O)CC1 ZINC000710698797 903398975 /nfs/dbraw/zinc/39/89/75/903398975.db2.gz ZPJCYZROSISEDY-UHFFFAOYSA-N -1 3 287.356 1.540 20 10 CDCDHM CN(CCO)Cc1c([O-])cc(Br)cc1F ZINC001236256553 914832380 /nfs/dbraw/zinc/83/23/80/914832380.db2.gz OSAURRHTRWSDRQ-UHFFFAOYSA-N -1 3 278.121 1.718 20 10 CDCDHM CCNC(=O)[C@@H]1CCCN1Cc1cccc(F)c1[O-] ZINC001138131086 936476614 /nfs/dbraw/zinc/47/66/14/936476614.db2.gz PDCOIJSBZNRMAD-LBPRGKRZSA-N -1 3 266.316 1.632 20 10 CDCDHM COC(=O)[C@@H]1CCN1Cc1c([O-])cccc1Cl ZINC001140337852 936702825 /nfs/dbraw/zinc/70/28/25/936702825.db2.gz JOUUVTZKNGVIAN-JTQLQIEISA-N -1 3 255.701 1.793 20 10 CDCDHM O=C1COC[C@@H]2CN(Cc3ccc(Cl)cc3[O-])CCN12 ZINC001140465410 936712289 /nfs/dbraw/zinc/71/22/89/936712289.db2.gz MEHBLUJBJLRRGD-LBPRGKRZSA-N -1 3 296.754 1.089 20 10 CDCDHM CC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140462259 936712356 /nfs/dbraw/zinc/71/23/56/936712356.db2.gz CIYBGFNNINDWKI-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000857328994 928695552 /nfs/dbraw/zinc/69/55/52/928695552.db2.gz ALADIDAUSQGCKM-ONGXEEELSA-N -1 3 293.319 1.512 20 10 CDCDHM CN1C[C@@H]2CN(Cc3c([O-])cccc3Cl)C[C@H](C1)O2 ZINC001275217426 931703662 /nfs/dbraw/zinc/70/36/62/931703662.db2.gz MZWGMHQBHYPASR-PHIMTYICSA-N -1 3 282.771 1.560 20 10 CDCDHM CSc1nccc(NC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148581781 932751354 /nfs/dbraw/zinc/75/13/54/932751354.db2.gz WGGSLXZGGHLVRX-UHFFFAOYSA-N -1 3 293.304 1.568 20 10 CDCDHM O=C(CCCCCO)NCc1c([O-])cccc1F ZINC001156170358 938327673 /nfs/dbraw/zinc/32/76/73/938327673.db2.gz LTRCGZPCTQARGC-UHFFFAOYSA-N -1 3 255.289 1.700 20 10 CDCDHM Cn1[nH]cnc1=Nc1cc(OC(F)(F)F)ccc1[O-] ZINC001214373239 940817951 /nfs/dbraw/zinc/81/79/51/940817951.db2.gz MWERTCHCQIMQSS-UHFFFAOYSA-N -1 3 274.202 1.585 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c([O-])c1 ZINC001231452156 942895519 /nfs/dbraw/zinc/89/55/19/942895519.db2.gz BWCWYOUKKCOKIQ-HNNXBMFYSA-N -1 3 277.320 1.845 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c([O-])c1 ZINC001231452156 942895521 /nfs/dbraw/zinc/89/55/21/942895521.db2.gz BWCWYOUKKCOKIQ-HNNXBMFYSA-N -1 3 277.320 1.845 20 10 CDCDHM CN(C1CN(Cc2cccc(Cl)c2[O-])C1)[C@H]1CCOC1 ZINC001231912720 943053007 /nfs/dbraw/zinc/05/30/07/943053007.db2.gz UKKDXCCTWUEMGM-LBPRGKRZSA-N -1 3 296.798 1.951 20 10 CDCDHM [O-]c1cc(O)c(CN2CC[C@@H](O)[C@H](F)C2)cc1Cl ZINC001232258657 943190242 /nfs/dbraw/zinc/19/02/42/943190242.db2.gz BZBVXOXUBSEQMA-NXEZZACHSA-N -1 3 275.707 1.656 20 10 CDCDHM CN1CC2(C1)CN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001233080152 943486935 /nfs/dbraw/zinc/48/69/35/943486935.db2.gz RCBPDLYEJQMCSS-UHFFFAOYSA-N -1 3 254.280 1.418 20 10 CDCDHM O=C1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC001233455622 943587531 /nfs/dbraw/zinc/58/75/31/943587531.db2.gz SAPRRCLXLYUSKV-UHFFFAOYSA-N -1 3 275.226 1.770 20 10 CDCDHM [O-]c1cc2c(ncnc2-c2ccc(N3CCOCC3)cc2)[nH]1 ZINC001240756866 946018480 /nfs/dbraw/zinc/01/84/80/946018480.db2.gz RMZWGDIHSCOROC-UHFFFAOYSA-N -1 3 296.330 1.195 20 10 CDCDHM O=C(CN[C@H]1CCCOC1)c1ccc([O-])c(O)c1 ZINC001254365134 947387849 /nfs/dbraw/zinc/38/78/49/947387849.db2.gz AYRDGCUKERGHOF-JTQLQIEISA-N -1 3 251.282 1.049 20 10 CDCDHM Cn1cc(C(=O)NCc2c([O-])cccc2F)ccc1=O ZINC001303877936 956131239 /nfs/dbraw/zinc/13/12/39/956131239.db2.gz JYHOZHBAGUUDQX-UHFFFAOYSA-N -1 3 276.267 1.160 20 10 CDCDHM COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001347396697 965508822 /nfs/dbraw/zinc/50/88/22/965508822.db2.gz ZTGHCLMSCIUIDI-JQWIXIFHSA-N -1 3 299.754 1.462 20 10 CDCDHM CN(C)c1ccc(/C=C/CN[C@@H](CF)C(=O)[O-])cc1 ZINC001598314574 991300299 /nfs/dbraw/zinc/30/02/99/991300299.db2.gz YJENBJFHRMSTHI-OOPCZODUSA-N -1 3 266.316 1.778 20 10 CDCDHM COC[C@H](CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])OC ZINC001599162601 998483824 /nfs/dbraw/zinc/48/38/24/998483824.db2.gz CIBSQIHPCCOKEP-PWSUYJOCSA-N -1 3 297.351 1.793 20 10 CDCDHM CS[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000294197243 361789474 /nfs/dbraw/zinc/78/94/74/361789474.db2.gz GTTPWNKETFHAAH-MRVPVSSYSA-N -1 3 253.323 1.675 20 10 CDCDHM CCC1(CO)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000185900912 357591207 /nfs/dbraw/zinc/59/12/07/357591207.db2.gz DXVKLKZVJGYUAK-UHFFFAOYSA-N -1 3 279.336 1.723 20 10 CDCDHM O=C(N[C@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(O)c1[O-] ZINC000193134309 358268762 /nfs/dbraw/zinc/26/87/62/358268762.db2.gz OSZQJQOKOGLODY-SUZMYJTESA-N -1 3 277.320 1.785 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCOC[C@@H](O)C1 ZINC000294823776 199199790 /nfs/dbraw/zinc/19/97/90/199199790.db2.gz PDMSXMYKBUIBGH-VIFPVBQESA-N -1 3 257.717 1.239 20 10 CDCDHM CCc1cnc(CNC(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000281540132 367652616 /nfs/dbraw/zinc/65/26/16/367652616.db2.gz JNRVMWDRMSPOBN-UHFFFAOYSA-N -1 3 276.292 1.887 20 10 CDCDHM CN1CCCN(Cc2cccc(F)c2[O-])CC1=O ZINC000375573858 370864248 /nfs/dbraw/zinc/86/42/48/370864248.db2.gz YGTNCAXMTGWLRL-UHFFFAOYSA-N -1 3 252.289 1.195 20 10 CDCDHM Cc1ccc(C(=O)N(C2CC2)C2COC2)c([O-])c1O ZINC000295772463 371449329 /nfs/dbraw/zinc/44/93/29/371449329.db2.gz PIKAPEHMPXWDJW-UHFFFAOYSA-N -1 3 263.293 1.410 20 10 CDCDHM O=C1CCN(Cc2c([O-])cccc2Cl)CCN1 ZINC000119222760 390844116 /nfs/dbraw/zinc/84/41/16/390844116.db2.gz NIRQOUCYNBVGFI-UHFFFAOYSA-N -1 3 254.717 1.368 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCO2)CC1 ZINC000367120069 391066627 /nfs/dbraw/zinc/06/66/27/391066627.db2.gz VNNFZHLCKXVOAH-UHFFFAOYSA-N -1 3 263.293 1.493 20 10 CDCDHM CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179546344 391210652 /nfs/dbraw/zinc/21/06/52/391210652.db2.gz CSYJEYKCQVOAEL-KWQFWETISA-N -1 3 267.325 1.543 20 10 CDCDHM Cc1ccc(C(=O)N2CCO[C@@H]3CCC[C@H]32)c([O-])c1O ZINC000272765321 292059393 /nfs/dbraw/zinc/05/93/93/292059393.db2.gz LZUQCGIKELVVCV-VXGBXAGGSA-N -1 3 277.320 1.800 20 10 CDCDHM COc1ccc([O-])c([C@H]2NC(=O)CN2CC(C)C)c1 ZINC000298795784 260162722 /nfs/dbraw/zinc/16/27/22/260162722.db2.gz SXMQRAPOEQWDKY-AWEZNQCLSA-N -1 3 264.325 1.487 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)NC(C)(C)C ZINC000126532010 260353691 /nfs/dbraw/zinc/35/36/91/260353691.db2.gz WQCXRXWRWBMDIU-MRVPVSSYSA-N -1 3 280.324 1.131 20 10 CDCDHM COCCC1(CNC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182840110 261952426 /nfs/dbraw/zinc/95/24/26/261952426.db2.gz CQVJVZNGUSJSBK-UHFFFAOYSA-N -1 3 279.336 1.953 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](CCO)c2ccco2)c([O-])c1O ZINC000183824967 261990770 /nfs/dbraw/zinc/99/07/70/261990770.db2.gz XSGFVIIUMDTOTC-LLVKDONJSA-N -1 3 291.303 1.853 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)C(=O)N(C)C)c1 ZINC000276914209 263038626 /nfs/dbraw/zinc/03/86/26/263038626.db2.gz PPMFJIXLSAHBNB-UWVGGRQHSA-N -1 3 294.351 1.306 20 10 CDCDHM NC(=O)C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000367704550 267111138 /nfs/dbraw/zinc/11/11/38/267111138.db2.gz OVGQEILDMSDNEK-MRVPVSSYSA-N -1 3 286.734 1.882 20 10 CDCDHM CCn1nncc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000527920506 330295693 /nfs/dbraw/zinc/29/56/93/330295693.db2.gz PSZAKTUYNCQDCE-SECBINFHSA-N -1 3 264.304 1.994 20 10 CDCDHM COc1c([O-])c(CN2C[C@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280560607 521873893 /nfs/dbraw/zinc/87/38/93/521873893.db2.gz UXXWICAPJDXQAT-NSHDSACASA-N -1 3 296.323 1.512 20 10 CDCDHM CO[C@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279397766 523964699 /nfs/dbraw/zinc/96/46/99/523964699.db2.gz WFNZXVASAMRRSM-JQWIXIFHSA-N -1 3 265.309 1.785 20 10 CDCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])CC[S@]1=O ZINC000277671919 524490182 /nfs/dbraw/zinc/49/01/82/524490182.db2.gz WDYIYCFCLHMFTQ-HOGDKLEQSA-N -1 3 283.349 1.081 20 10 CDCDHM C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(F)ccc1[O-] ZINC000192055984 524548584 /nfs/dbraw/zinc/54/85/84/524548584.db2.gz VOUXZKJPXGCIHU-SNVBAGLBSA-N -1 3 287.356 1.540 20 10 CDCDHM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(O)c1[O-] ZINC000279360106 524584211 /nfs/dbraw/zinc/58/42/11/524584211.db2.gz SQLGIPOOYUUAIY-NXEZZACHSA-N -1 3 281.308 1.022 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCCO1 ZINC000279753097 525230815 /nfs/dbraw/zinc/23/08/15/525230815.db2.gz CRYOPRWEZOKMKU-JOYOIKCWSA-N -1 3 265.309 1.785 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H](CO)C[C@@H]2C)c([O-])c1O ZINC000291976417 526130026 /nfs/dbraw/zinc/13/00/26/526130026.db2.gz URWYLFNICPYYLF-QWRGUYRKSA-N -1 3 279.336 1.639 20 10 CDCDHM Cn1cc(CCNC(=O)c2cc([O-])cs2)cn1 ZINC000732272313 575085447 /nfs/dbraw/zinc/08/54/47/575085447.db2.gz CWCHJFCMZPJOOD-UHFFFAOYSA-N -1 3 251.311 1.160 20 10 CDCDHM CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353525 575088105 /nfs/dbraw/zinc/08/81/05/575088105.db2.gz SMYXLSTYKTTWLD-HTQZYQBOSA-N -1 3 271.338 1.914 20 10 CDCDHM CCNC(=O)CN(CC)Cc1c([O-])cccc1OC ZINC000768193839 576263709 /nfs/dbraw/zinc/26/37/09/576263709.db2.gz SCQXPNOUSMPQEZ-UHFFFAOYSA-N -1 3 266.341 1.359 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCOC2(CCOCC2)C1 ZINC000768381923 576278132 /nfs/dbraw/zinc/27/81/32/576278132.db2.gz FRGCRTZBYASHJN-UHFFFAOYSA-N -1 3 283.349 1.475 20 10 CDCDHM CN1C(=O)C2(CCCC2)N[C@H]1c1cccc(O)c1[O-] ZINC000742439188 576603258 /nfs/dbraw/zinc/60/32/58/576603258.db2.gz JTXLHUFQYUCJSQ-GFCCVEGCSA-N -1 3 262.309 1.471 20 10 CDCDHM COc1cccc([O-])c1C[NH2+]CCCCC(=O)[O-] ZINC000820871307 598166262 /nfs/dbraw/zinc/16/62/62/598166262.db2.gz XCTKYLPJVRNMLT-UHFFFAOYSA-N -1 3 253.298 1.745 20 10 CDCDHM CC1(C)CNC(=O)[C@H]1NCc1c([O-])ccc(Cl)c1F ZINC000895324628 619561097 /nfs/dbraw/zinc/56/10/97/619561097.db2.gz QWFQEZZIPOVWSJ-LLVKDONJSA-N -1 3 286.734 1.799 20 10 CDCDHM COCC1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000895969646 619927844 /nfs/dbraw/zinc/92/78/44/619927844.db2.gz HYUUNTGEJGHXNF-UHFFFAOYSA-N -1 3 282.296 1.387 20 10 CDCDHM C[C@@H]([NH2+]C1CC(CCO)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604328218 1163151877 /nfs/dbraw/zinc/15/18/77/1163151877.db2.gz DBOZOHXXCJSKOL-GRZMOONWSA-N -1 3 279.336 1.902 20 10 CDCDHM Cc1cc(NCc2ccccc2O)ncc1-c1nnn[n-]1 ZINC001605739254 1163656952 /nfs/dbraw/zinc/65/69/52/1163656952.db2.gz CCPMEKQOSVQYIW-UHFFFAOYSA-N -1 3 282.307 1.888 20 10 CDCDHM Cc1cc(NCc2ccccc2O)ncc1-c1nn[n-]n1 ZINC001605739254 1163656957 /nfs/dbraw/zinc/65/69/57/1163656957.db2.gz CCPMEKQOSVQYIW-UHFFFAOYSA-N -1 3 282.307 1.888 20 10 CDCDHM O=C(N[C@H]1CCOC12CCCC2)c1cccc(O)c1[O-] ZINC000890412473 1165140893 /nfs/dbraw/zinc/14/08/93/1165140893.db2.gz BDZOVRBSYWJLBM-LBPRGKRZSA-N -1 3 277.320 1.929 20 10 CDCDHM CN1CC2(C1)CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001276009414 1166723344 /nfs/dbraw/zinc/72/33/44/1166723344.db2.gz SCDOGEUZONEMOO-UHFFFAOYSA-N -1 3 290.363 1.618 20 10 CDCDHM CN1CC2(C1)CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001276009414 1166723350 /nfs/dbraw/zinc/72/33/50/1166723350.db2.gz SCDOGEUZONEMOO-UHFFFAOYSA-N -1 3 290.363 1.618 20 10 CDCDHM COc1ccc(N(C)Cc2ccncc2-c2nnn[n-]2)cc1 ZINC001580035366 1172328639 /nfs/dbraw/zinc/32/86/39/1172328639.db2.gz RIYWKAWWZGDXRP-UHFFFAOYSA-N -1 3 296.334 1.907 20 10 CDCDHM COc1ccc(N(C)Cc2ccncc2-c2nn[n-]n2)cc1 ZINC001580035366 1172328646 /nfs/dbraw/zinc/32/86/46/1172328646.db2.gz RIYWKAWWZGDXRP-UHFFFAOYSA-N -1 3 296.334 1.907 20 10 CDCDHM Cc1ccc(-c2nnn[n-]2)c(NCc2c(O)cccc2O)n1 ZINC001592091747 1173797178 /nfs/dbraw/zinc/79/71/78/1173797178.db2.gz ACDBGKTWHQVBJO-UHFFFAOYSA-N -1 3 298.306 1.593 20 10 CDCDHM Cc1ccc(-c2nn[n-]n2)c(NCc2c(O)cccc2O)n1 ZINC001592091747 1173797181 /nfs/dbraw/zinc/79/71/81/1173797181.db2.gz ACDBGKTWHQVBJO-UHFFFAOYSA-N -1 3 298.306 1.593 20 10 CDCDHM CC[C@H](O)CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604067152 1175746383 /nfs/dbraw/zinc/74/63/83/1175746383.db2.gz VCYMWRBYXJIHNE-ZJUUUORDSA-N -1 3 291.355 1.384 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCN(CCCCO)CC1 ZINC000775690545 728802783 /nfs/dbraw/zinc/80/27/83/728802783.db2.gz PEMOLGWGUGQKCJ-UHFFFAOYSA-N -1 3 298.814 1.936 20 10 CDCDHM Cn1c(CNC(=O)c2cccc(O)c2[O-])nnc1C1CC1 ZINC000790919001 728959250 /nfs/dbraw/zinc/95/92/50/728959250.db2.gz GIEBPTNVJBYWOX-UHFFFAOYSA-N -1 3 288.307 1.034 20 10 CDCDHM O=C(NCCCN1CCCCC1=O)c1cccc(O)c1[O-] ZINC000790664902 728899811 /nfs/dbraw/zinc/89/98/11/728899811.db2.gz WMKZMZCASRRMBW-UHFFFAOYSA-N -1 3 292.335 1.230 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC000827120743 728463108 /nfs/dbraw/zinc/46/31/08/728463108.db2.gz VKZBWJIIMUJVMZ-AWEZNQCLSA-N -1 3 296.798 1.952 20 10 CDCDHM O=C(NC1([C@H]2CCCCO2)CC1)c1cccc(O)c1[O-] ZINC000887090311 728486657 /nfs/dbraw/zinc/48/66/57/728486657.db2.gz IVOXBNSUJVCGMS-GFCCVEGCSA-N -1 3 277.320 1.929 20 10 CDCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@@H]2COC[C@@H]21 ZINC000384853884 728579527 /nfs/dbraw/zinc/57/95/27/728579527.db2.gz CPDOTHPICJEHTK-WDEREUQCSA-N -1 3 277.320 1.595 20 10 CDCDHM CC[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000093050076 729168183 /nfs/dbraw/zinc/16/81/83/729168183.db2.gz IJOSLTZHPQYRTM-LLVKDONJSA-N -1 3 268.744 1.756 20 10 CDCDHM Cc1cc([O-])c(CN2CCNC(=O)CC2)cc1Cl ZINC000824713833 729175933 /nfs/dbraw/zinc/17/59/33/729175933.db2.gz KGMSYZYRGXUZNN-UHFFFAOYSA-N -1 3 268.744 1.676 20 10 CDCDHM CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761449 729333272 /nfs/dbraw/zinc/33/32/72/729333272.db2.gz SNVQONFAZFYIKE-YGRLFVJLSA-N -1 3 298.770 1.117 20 10 CDCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])Cn1cccn1 ZINC000186951735 729482254 /nfs/dbraw/zinc/48/22/54/729482254.db2.gz ZHAWLIOVHLGYIT-SNVBAGLBSA-N -1 3 275.308 1.360 20 10 CDCDHM Cc1nn(C)c(C)c1CNC(=O)c1cccc(O)c1[O-] ZINC000126472450 729948633 /nfs/dbraw/zinc/94/86/33/729948633.db2.gz WDBPNORIVNJYPK-UHFFFAOYSA-N -1 3 275.308 1.378 20 10 CDCDHM CN1C[C@H](NCc2c([O-])ccc(Cl)c2F)CC1=O ZINC000790954952 730015501 /nfs/dbraw/zinc/01/55/01/730015501.db2.gz HCXNCNNMVIFMNY-SSDOTTSWSA-N -1 3 272.707 1.505 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000871200138 730035217 /nfs/dbraw/zinc/03/52/17/730035217.db2.gz NICVLAZLZLKFLX-DRZSPHRISA-N -1 3 291.347 1.863 20 10 CDCDHM C[C@@]1(CO)CN(Cc2cccc(Cl)c2[O-])CC[C@H]1O ZINC001231910396 911877796 /nfs/dbraw/zinc/87/77/96/911877796.db2.gz OGWDWQHATOWVSU-OCCSQVGLSA-N -1 3 285.771 1.611 20 10 CDCDHM CN(C)C(=O)C1CN(Cc2cccc(F)c2[O-])C1 ZINC001138127416 936474654 /nfs/dbraw/zinc/47/46/54/936474654.db2.gz AHOMCWKCJYIXRF-UHFFFAOYSA-N -1 3 252.289 1.051 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCOC1 ZINC000389050860 936645234 /nfs/dbraw/zinc/64/52/34/936645234.db2.gz RXRWDWGNGHBUPP-ZJUUUORDSA-N -1 3 265.309 1.643 20 10 CDCDHM CC(=O)N(C)C1CN(Cc2cc(F)ccc2[O-])C1 ZINC001140055270 936674403 /nfs/dbraw/zinc/67/44/03/936674403.db2.gz PSZDYAWDNWAVBH-UHFFFAOYSA-N -1 3 252.289 1.194 20 10 CDCDHM CCN(Cc1cc(F)ccc1[O-])[C@@H](C)C(=O)OC ZINC001140056223 936674509 /nfs/dbraw/zinc/67/45/09/936674509.db2.gz MXHQAWRQRVKRKP-VIFPVBQESA-N -1 3 255.289 1.915 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@H](O)[C@@H](F)CC1 ZINC001140582979 936727352 /nfs/dbraw/zinc/72/73/52/936727352.db2.gz RQUMPGIDFWNAEL-CMPLNLGQSA-N -1 3 275.270 1.965 20 10 CDCDHM COc1ccnc(C(=O)NCc2ccccc2O)c1[O-] ZINC001193542816 923741649 /nfs/dbraw/zinc/74/16/49/923741649.db2.gz KUBAORNKRFKKHL-UHFFFAOYSA-N -1 3 274.276 1.431 20 10 CDCDHM Cc1c[nH]c(=O)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148212299 932668095 /nfs/dbraw/zinc/66/80/95/932668095.db2.gz WMMSBHMCONCUKZ-UHFFFAOYSA-N -1 3 260.249 1.759 20 10 CDCDHM O=C(Nc1cccc(-n2nccn2)c1)c1cccc(O)c1[O-] ZINC001148219400 932670243 /nfs/dbraw/zinc/67/02/43/932670243.db2.gz XUGWHDJYVTUDFA-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM Nc1cccc2c1N(C(=O)c1cc(O)c([O-])c(O)c1)CC2 ZINC001148586098 932753276 /nfs/dbraw/zinc/75/32/76/932753276.db2.gz ILGOQFLEXMGWMH-UHFFFAOYSA-N -1 3 286.287 1.589 20 10 CDCDHM Cc1cccc(N)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588118 932753615 /nfs/dbraw/zinc/75/36/15/932753615.db2.gz ORAZPHIFMMNWEM-UHFFFAOYSA-N -1 3 274.276 1.946 20 10 CDCDHM O=C(NCc1ccncc1F)c1cc(O)c([O-])c(O)c1 ZINC001148590077 932754037 /nfs/dbraw/zinc/75/40/37/932754037.db2.gz WWAXUWCDWPVGFV-UHFFFAOYSA-N -1 3 278.239 1.268 20 10 CDCDHM O=C([O-])c1ccc(C[NH+]2CC(C3COC3)C2)c([O-])c1 ZINC001231446359 942891651 /nfs/dbraw/zinc/89/16/51/942891651.db2.gz HNTFZULXVJIGAY-UHFFFAOYSA-N -1 3 263.293 1.169 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c([O-])c1 ZINC001231449666 942894729 /nfs/dbraw/zinc/89/47/29/942894729.db2.gz KVSVEAKMYYUBAE-HNNXBMFYSA-N -1 3 277.320 1.845 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@]3(CCCO3)C2)c([O-])c1 ZINC001231449666 942894733 /nfs/dbraw/zinc/89/47/33/942894733.db2.gz KVSVEAKMYYUBAE-HNNXBMFYSA-N -1 3 277.320 1.845 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c([O-])c1 ZINC001231452934 942896640 /nfs/dbraw/zinc/89/66/40/942896640.db2.gz HWMYNKVVLUXYTB-AAEUAGOBSA-N -1 3 289.331 1.891 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c([O-])c1 ZINC001231452934 942896643 /nfs/dbraw/zinc/89/66/43/942896643.db2.gz HWMYNKVVLUXYTB-AAEUAGOBSA-N -1 3 289.331 1.891 20 10 CDCDHM CCNC(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231569481 942932324 /nfs/dbraw/zinc/93/23/24/942932324.db2.gz ZRPPMYLJEFJKSG-LBPRGKRZSA-N -1 3 292.335 1.191 20 10 CDCDHM [O-]c1cc(O)c(CN2CC[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001232258658 943190516 /nfs/dbraw/zinc/19/05/16/943190516.db2.gz BZBVXOXUBSEQMA-VHSXEESVSA-N -1 3 275.707 1.656 20 10 CDCDHM [O-]c1cc(O)c(CN2C[C@H](F)C[C@@H](CO)C2)cc1Cl ZINC001232260423 943191744 /nfs/dbraw/zinc/19/17/44/943191744.db2.gz QADPWNFGSQMMMI-PSASIEDQSA-N -1 3 289.734 1.904 20 10 CDCDHM COC[C@H]1COCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232263829 943195297 /nfs/dbraw/zinc/19/52/97/943195297.db2.gz WOSFBSJFXFECQY-JTQLQIEISA-N -1 3 287.743 1.598 20 10 CDCDHM Nc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1O ZINC000722212905 944109957 /nfs/dbraw/zinc/10/99/57/944109957.db2.gz PECGJSPZYHOKAO-UHFFFAOYSA-N -1 3 280.305 1.481 20 10 CDCDHM CC(C)OC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC001328084137 955187734 /nfs/dbraw/zinc/18/77/34/955187734.db2.gz DOZXYUZKNIUTIP-LBPRGKRZSA-N -1 3 295.335 1.804 20 10 CDCDHM C[C@@](Cn1cccn1)([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001604244752 1126229255 /nfs/dbraw/zinc/22/92/55/1126229255.db2.gz QAPUUCJGYRAZMJ-AWEZNQCLSA-N -1 3 293.298 1.361 20 10 CDCDHM CCCCN1CC(=O)N[C@H]1c1cc(OC)ccc1[O-] ZINC000077475017 342328944 /nfs/dbraw/zinc/32/89/44/342328944.db2.gz BCSSDTBSEPNAFE-CQSZACIVSA-N -1 3 264.325 1.631 20 10 CDCDHM CC1(C)C[C@H](O)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000296881829 200024335 /nfs/dbraw/zinc/02/43/35/200024335.db2.gz JHMLXPCAMAVOMA-SNVBAGLBSA-N -1 3 279.336 1.721 20 10 CDCDHM CSC[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000271296306 364980065 /nfs/dbraw/zinc/98/00/65/364980065.db2.gz RJCFAOSBEUCULX-CYBMUJFWSA-N -1 3 285.365 1.250 20 10 CDCDHM COC(=O)C1(NC(=O)c2ccc(C)c(O)c2[O-])CCC1 ZINC000272747066 365378378 /nfs/dbraw/zinc/37/83/78/365378378.db2.gz NIXVNWRXGOZMNP-UHFFFAOYSA-N -1 3 279.292 1.232 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)c([O-])c1O ZINC000272869592 365426211 /nfs/dbraw/zinc/42/62/11/365426211.db2.gz WBJUTWCQHCLKDO-JTQLQIEISA-N -1 3 292.335 1.145 20 10 CDCDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000273521555 365503921 /nfs/dbraw/zinc/50/39/21/365503921.db2.gz UMVCCAOIWDRUNS-RNCFNFMXSA-N -1 3 279.315 1.649 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@@H]2CCOC2)CC1 ZINC000375677294 370904218 /nfs/dbraw/zinc/90/42/18/370904218.db2.gz JFDVAQGYQYZMEU-GFCCVEGCSA-N -1 3 291.347 1.987 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H]2CCOC[C@@H]2C)c([O-])c1O ZINC000287083270 369083364 /nfs/dbraw/zinc/08/33/64/369083364.db2.gz YIUAGKQGCUNCOC-QWRGUYRKSA-N -1 3 279.336 1.809 20 10 CDCDHM CN(Cc1c([O-])cccc1Cl)[C@@H]1COC[C@H]1O ZINC000289275219 369537993 /nfs/dbraw/zinc/53/79/93/369537993.db2.gz GQJUQWVVFZKOQG-ZYHUDNBSSA-N -1 3 257.717 1.237 20 10 CDCDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000294444589 371366231 /nfs/dbraw/zinc/36/62/31/371366231.db2.gz HGUSXLUJNOLJDO-LLVKDONJSA-N -1 3 251.282 1.253 20 10 CDCDHM Cc1ccc(C(=O)NCc2nnc(C3CC3)[nH]2)c([O-])c1O ZINC000295756181 371440790 /nfs/dbraw/zinc/44/07/90/371440790.db2.gz BHNNYNSHCFGLFC-UHFFFAOYSA-N -1 3 288.307 1.332 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCS[C@H]2COCC[C@@H]21 ZINC000275078669 296253890 /nfs/dbraw/zinc/25/38/90/296253890.db2.gz DBRSQXKEYPQYFC-JQWIXIFHSA-N -1 3 295.360 1.444 20 10 CDCDHM [O-]c1ccccc1CN(CCO)Cc1cccnc1 ZINC000271351045 391293237 /nfs/dbraw/zinc/29/32/37/391293237.db2.gz LKSGVGPCEYJXFJ-UHFFFAOYSA-N -1 3 258.321 1.782 20 10 CDCDHM COc1cc(Cl)cc(CN2C[C@@H](F)C[C@H]2CO)c1[O-] ZINC000372638169 391859384 /nfs/dbraw/zinc/85/93/84/391859384.db2.gz IEXQYHODIQXGFG-QWRGUYRKSA-N -1 3 289.734 1.959 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCN(C(C)=O)CC2)c1[O-] ZINC000037322449 260089292 /nfs/dbraw/zinc/08/92/92/260089292.db2.gz XZTSXMPOSZYYHX-UHFFFAOYSA-N -1 3 294.326 1.398 20 10 CDCDHM CO[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187217980 523593508 /nfs/dbraw/zinc/59/35/08/523593508.db2.gz MSZVQDOURUVULK-SECBINFHSA-N -1 3 251.282 1.349 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@]23CCOC3=O)c([O-])c1O ZINC000275240859 526108320 /nfs/dbraw/zinc/10/83/20/526108320.db2.gz KSXXXLMANSQASR-OAHLLOKOSA-N -1 3 291.303 1.328 20 10 CDCDHM Cc1nnsc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000291669334 526447329 /nfs/dbraw/zinc/44/73/29/526447329.db2.gz GEVNOZKRZFSESY-UHFFFAOYSA-N -1 3 280.309 1.750 20 10 CDCDHM O=C(NCCCOC[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000274893087 527687429 /nfs/dbraw/zinc/68/74/29/527687429.db2.gz MMSHMLWUAUKWOZ-LLVKDONJSA-N -1 3 295.335 1.413 20 10 CDCDHM Cc1nccn1CCCNC(=O)c1cc([O-])cs1 ZINC000731870151 575066690 /nfs/dbraw/zinc/06/66/90/575066690.db2.gz DXDATBQMFIVPMI-UHFFFAOYSA-N -1 3 265.338 1.779 20 10 CDCDHM COC(=O)[C@@H](C)CN(C)C(=O)c1cc([O-])cs1 ZINC000732269198 575085164 /nfs/dbraw/zinc/08/51/64/575085164.db2.gz DTRCUWURRYZWBR-ZETCQYMHSA-N -1 3 257.311 1.335 20 10 CDCDHM CNC(=O)c1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000732269872 575085183 /nfs/dbraw/zinc/08/51/83/575085183.db2.gz WOZSYXXTMXQUKU-UHFFFAOYSA-N -1 3 290.344 1.743 20 10 CDCDHM Cc1ccc(C(=O)NCCC2(C)OCCO2)c([O-])c1O ZINC000760108189 576458848 /nfs/dbraw/zinc/45/88/48/576458848.db2.gz FEOFZPRMUQFCAQ-UHFFFAOYSA-N -1 3 281.308 1.289 20 10 CDCDHM O=C(N[C@H]1CCCCC12OCCO2)c1cc([O-])cs1 ZINC000764919041 575964234 /nfs/dbraw/zinc/96/42/34/575964234.db2.gz LJDYCYLEIYYUBY-NSHDSACASA-N -1 3 283.349 1.869 20 10 CDCDHM COc1ccnc(CNC(=O)c2cc([O-])cs2)c1 ZINC000765109078 575987322 /nfs/dbraw/zinc/98/73/22/575987322.db2.gz XQPPXBWWKWIPSE-UHFFFAOYSA-N -1 3 264.306 1.787 20 10 CDCDHM CC(C)(CS(C)(=O)=O)NC(=O)c1cc([O-])cs1 ZINC000760451367 576485378 /nfs/dbraw/zinc/48/53/78/576485378.db2.gz RTTJUEZMOGOCKP-UHFFFAOYSA-N -1 3 277.367 1.007 20 10 CDCDHM C[C@](O)(CNC(=O)c1cc([O-])cs1)c1ccco1 ZINC000743655128 576650315 /nfs/dbraw/zinc/65/03/15/576650315.db2.gz VHKSRGLVIGXFPT-LBPRGKRZSA-N -1 3 267.306 1.684 20 10 CDCDHM Cc1ccc(C(=O)NCc2cncn2C)c([O-])c1O ZINC000752953767 577136891 /nfs/dbraw/zinc/13/68/91/577136891.db2.gz PJFOUKPEOCXZPD-UHFFFAOYSA-N -1 3 261.281 1.070 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)S1=O ZINC000791181224 1162200931 /nfs/dbraw/zinc/20/09/31/1162200931.db2.gz HUJWYBVTZQCXBR-IUCAKERBSA-N -1 3 283.349 1.079 20 10 CDCDHM CN(C)c1cccnc1CNC(=O)c1cccc(O)c1[O-] ZINC000811620936 1163503787 /nfs/dbraw/zinc/50/37/87/1163503787.db2.gz MAFKHDNNOVYZGC-UHFFFAOYSA-N -1 3 287.319 1.489 20 10 CDCDHM C[C@@H]([NH2+]CCc1ccnn1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779581 1165077108 /nfs/dbraw/zinc/07/71/08/1165077108.db2.gz MVURUYDQOQXGRL-SNVBAGLBSA-N -1 3 289.335 1.717 20 10 CDCDHM O=C(NCCc1ccncc1)c1cccc(O)c1[O-] ZINC000126273707 1165951185 /nfs/dbraw/zinc/95/11/85/1165951185.db2.gz NGQUQTLSBHDIRP-UHFFFAOYSA-N -1 3 258.277 1.465 20 10 CDCDHM CC[C@@H](O)C[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465911 1173419825 /nfs/dbraw/zinc/41/98/25/1173419825.db2.gz HTUBPHMDKKDHON-BXKDBHETSA-N -1 3 291.355 1.384 20 10 CDCDHM CCOCCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590810726 1173519721 /nfs/dbraw/zinc/51/97/21/1173519721.db2.gz SZQJJVVNHZULFM-SNVBAGLBSA-N -1 3 291.355 1.650 20 10 CDCDHM COc1ccc(O)c(CNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001591619092 1173675834 /nfs/dbraw/zinc/67/58/34/1173675834.db2.gz RRMITFIDBLWJRC-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1ccc(O)c(CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001591619092 1173675836 /nfs/dbraw/zinc/67/58/36/1173675836.db2.gz RRMITFIDBLWJRC-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM CC(C)c1ccc(O)c(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001604002783 1175713262 /nfs/dbraw/zinc/71/32/62/1175713262.db2.gz NJZIEYYYIOPNKK-LSDHHAIUSA-N -1 3 293.363 1.926 20 10 CDCDHM O=C(Nc1ccc(CCO)cc1)c1cccc(O)c1[O-] ZINC000126277902 730661671 /nfs/dbraw/zinc/66/16/71/730661671.db2.gz DZWGQAIKKYCTBZ-UHFFFAOYSA-N -1 3 273.288 1.885 20 10 CDCDHM COc1c([O-])c(CNCc2ccno2)ccc1[N+](=O)[O-] ZINC000843402185 730707895 /nfs/dbraw/zinc/70/78/95/730707895.db2.gz BTRTUEKPIBBDLS-UHFFFAOYSA-N -1 3 279.252 1.587 20 10 CDCDHM O=C(N[C@@H](CO)CC(F)(F)F)c1cccc(O)c1[O-] ZINC000717759378 730880357 /nfs/dbraw/zinc/88/03/57/730880357.db2.gz MMHZPBNHUYIIIM-ZCFIWIBFSA-N -1 3 279.214 1.141 20 10 CDCDHM O=C(Nc1cnn(CC2CC2)c1)c1cccc(O)c1[O-] ZINC000193109536 731087677 /nfs/dbraw/zinc/08/76/77/731087677.db2.gz UHUWZTXHFVTWOC-UHFFFAOYSA-N -1 3 273.292 1.957 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(O)(CO)CC1 ZINC000827141963 731336510 /nfs/dbraw/zinc/33/65/10/731336510.db2.gz ZOCZMGVNAFXOPX-UHFFFAOYSA-N -1 3 289.734 1.504 20 10 CDCDHM C[C@@H](NCC(=O)NCC(F)F)c1cc(F)cc(F)c1[O-] ZINC000795846605 732899674 /nfs/dbraw/zinc/89/96/74/732899674.db2.gz ZHVQXWPLBKZBAU-ZCFIWIBFSA-N -1 3 294.248 1.702 20 10 CDCDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc([O-])c1 ZINC000803089434 732926669 /nfs/dbraw/zinc/92/66/69/732926669.db2.gz AGAWCCMQCGCAMK-VIFPVBQESA-N -1 3 288.303 1.559 20 10 CDCDHM CC(=O)NCCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000308176687 733164901 /nfs/dbraw/zinc/16/49/01/733164901.db2.gz FOLHRSYAPKTFTQ-UHFFFAOYSA-N -1 3 282.315 1.302 20 10 CDCDHM O=C(/C=C\c1ccc(O)c(O)c1)Nc1ncccc1[O-] ZINC000588424494 896060140 /nfs/dbraw/zinc/06/01/40/896060140.db2.gz ZPVMLESMCGQYJT-XQRVVYSFSA-N -1 3 272.260 1.850 20 10 CDCDHM COC(=O)[C@@H]1CCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232261028 912067504 /nfs/dbraw/zinc/06/75/04/912067504.db2.gz VKKXVLDRTGIRAO-JTQLQIEISA-N -1 3 285.727 1.889 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN(c2ncccn2)CC1 ZINC001137831793 936416749 /nfs/dbraw/zinc/41/67/49/936416749.db2.gz NVZUMLSCOMWGSB-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM CC(=O)N1CCC2(CN(Cc3c([O-])cccc3F)C2)C1 ZINC001137836050 936419050 /nfs/dbraw/zinc/41/90/50/936419050.db2.gz UCLBAXODULRKPO-UHFFFAOYSA-N -1 3 278.327 1.586 20 10 CDCDHM COC(=O)C1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140462627 936712467 /nfs/dbraw/zinc/71/24/67/936712467.db2.gz JNVQRJHMARMXMR-UHFFFAOYSA-N -1 3 255.701 1.650 20 10 CDCDHM COc1cc(C(=O)Nc2cncc([O-])c2)cc(O)c1O ZINC001193080691 923429223 /nfs/dbraw/zinc/42/92/23/923429223.db2.gz BKXPMOAFFMLJJT-UHFFFAOYSA-N -1 3 276.248 1.459 20 10 CDCDHM CNC(=O)C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139684413 937416683 /nfs/dbraw/zinc/41/66/83/937416683.db2.gz JIZUSTOMFZRDJM-UHFFFAOYSA-N -1 3 284.306 1.628 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001148213837 932668233 /nfs/dbraw/zinc/66/82/33/932668233.db2.gz KNGSLVIBFGGBEP-OYNCUSHFSA-N -1 3 251.257 1.670 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(F)(C2CC2)C1 ZINC001148212897 932669100 /nfs/dbraw/zinc/66/91/00/932669100.db2.gz NEMXWEIRUHPQMR-UHFFFAOYSA-N -1 3 251.257 1.672 20 10 CDCDHM O=C(NCc1ccc2c(c1)CC(=O)N2)c1cccc(O)c1[O-] ZINC001148225539 932674184 /nfs/dbraw/zinc/67/41/84/932674184.db2.gz OOYUSCJZIRZFBI-UHFFFAOYSA-N -1 3 298.298 1.522 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC2(C1)CC(F)(F)C2 ZINC001148579964 932748559 /nfs/dbraw/zinc/74/85/59/932748559.db2.gz CXNWURSVINLMPS-UHFFFAOYSA-N -1 3 285.246 1.675 20 10 CDCDHM C[C@H]1CC[C@H](CO)CN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583069 932750599 /nfs/dbraw/zinc/75/05/99/932750599.db2.gz RHUGMDBMIQKDQH-IUCAKERBSA-N -1 3 281.308 1.036 20 10 CDCDHM NC(=O)CC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193008798 934655122 /nfs/dbraw/zinc/65/51/22/934655122.db2.gz FUMIFELKFBIJFC-SNVBAGLBSA-N -1 3 292.335 1.216 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN(CCF)CC1 ZINC000402761309 940909510 /nfs/dbraw/zinc/90/95/10/940909510.db2.gz HQXBSSIPERDBSY-UHFFFAOYSA-N -1 3 256.296 1.618 20 10 CDCDHM CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453023 942897318 /nfs/dbraw/zinc/89/73/18/942897318.db2.gz ABKKCPGAFIOUKS-ZDUSSCGKSA-N -1 3 292.335 1.143 20 10 CDCDHM CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453023 942897320 /nfs/dbraw/zinc/89/73/20/942897320.db2.gz ABKKCPGAFIOUKS-ZDUSSCGKSA-N -1 3 292.335 1.143 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001231566306 942931942 /nfs/dbraw/zinc/93/19/42/942931942.db2.gz XCTUTFYXJIIBNS-RISCZKNCSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001231566306 942931948 /nfs/dbraw/zinc/93/19/48/942931948.db2.gz XCTUTFYXJIIBNS-RISCZKNCSA-N -1 3 277.320 1.701 20 10 CDCDHM Cc1cc([O-])c(CN2CCN(C(N)=O)CC2)cc1Cl ZINC001231868764 943037056 /nfs/dbraw/zinc/03/70/56/943037056.db2.gz GGNRDVOXMIHFCC-UHFFFAOYSA-N -1 3 283.759 1.550 20 10 CDCDHM COc1cc([O-])c(CN2CCNC(=O)C2(C)C)cc1Cl ZINC001232263747 943194804 /nfs/dbraw/zinc/19/48/04/943194804.db2.gz AFGVHLUTVFETPO-UHFFFAOYSA-N -1 3 298.770 1.765 20 10 CDCDHM O=C1NC[C@@]2(CCCN(Cc3c([O-])ccc(F)c3F)C2)O1 ZINC001233335352 943548452 /nfs/dbraw/zinc/54/84/52/943548452.db2.gz RKJHSFMOLQCWHK-CQSZACIVSA-N -1 3 298.289 1.745 20 10 CDCDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(O)c(O)c1 ZINC001258762146 945402338 /nfs/dbraw/zinc/40/23/38/945402338.db2.gz PCVIWFNJUYTUGO-UHFFFAOYSA-N -1 3 298.320 1.181 20 10 CDCDHM COC(=O)NC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001261297446 946043128 /nfs/dbraw/zinc/04/31/28/946043128.db2.gz ASKVUWSMODIWES-UHFFFAOYSA-N -1 3 270.716 1.586 20 10 CDCDHM CC(C)c1ccc(O)c(CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC001591973612 976578786 /nfs/dbraw/zinc/57/87/86/976578786.db2.gz DIKQIMNPADNBOY-STQMWFEESA-N -1 3 279.336 1.535 20 10 CDCDHM O=C(NC[C@H]1CCCSC1)c1cccc(O)c1[O-] ZINC000288159133 362067742 /nfs/dbraw/zinc/06/77/42/362067742.db2.gz YWGKBUQNUQNVEF-SECBINFHSA-N -1 3 267.350 1.971 20 10 CDCDHM COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(C)c1[O-] ZINC000187572438 357781847 /nfs/dbraw/zinc/78/18/47/357781847.db2.gz WMOCASSNGZDPBX-VXGBXAGGSA-N -1 3 299.754 1.462 20 10 CDCDHM CC[C@H](C)N(CC(=O)OC)C(=O)c1cccc(O)c1[O-] ZINC000297099697 200084881 /nfs/dbraw/zinc/08/48/81/200084881.db2.gz ZZPBMSRAWSJMHV-VIFPVBQESA-N -1 3 281.308 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/nfs/dbraw/zinc/66/86/50/932668650.db2.gz OTMWIPRGYNTAOD-UHFFFAOYSA-N -1 3 280.671 1.376 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(C[C@@H](F)CO2)CC1 ZINC001148219116 932670913 /nfs/dbraw/zinc/67/09/13/932670913.db2.gz TYSDRUIUFRIWNC-SNVBAGLBSA-N -1 3 295.310 1.831 20 10 CDCDHM O=C(NCc1nc2cc[nH]cc-2n1)c1cccc(O)c1[O-] ZINC001148224126 932671987 /nfs/dbraw/zinc/67/19/87/932671987.db2.gz CVLORIKMBGQISC-UHFFFAOYSA-N -1 3 284.275 1.299 20 10 CDCDHM C[C@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)CCCO1 ZINC001148581151 932751393 /nfs/dbraw/zinc/75/13/93/932751393.db2.gz MLUMIIAKKHSFIU-QMMMGPOBSA-N -1 3 267.281 1.054 20 10 CDCDHM CC1(C)CN(C(=O)c2cc(O)c([O-])c(O)c2)CC(C)(C)O1 ZINC001148587622 932752814 /nfs/dbraw/zinc/75/28/14/932752814.db2.gz JMPSYYZXVSLFMV-UHFFFAOYSA-N -1 3 295.335 1.833 20 10 CDCDHM C[C@H]1C[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)CCO1 ZINC001148591344 932754166 /nfs/dbraw/zinc/75/41/66/932754166.db2.gz YHRGSJZKHRBFKI-CBAPKCEASA-N -1 3 267.281 1.101 20 10 CDCDHM O=C(N[C@@H]1CC12CCOCC2)c1cc(O)c([O-])c(O)c1 ZINC001148589978 932754765 /nfs/dbraw/zinc/75/47/65/932754765.db2.gz UDHQBFTWFIVKNR-LLVKDONJSA-N -1 3 279.292 1.102 20 10 CDCDHM CCn1cc(CNCc2c([O-])cccc2Cl)nn1 ZINC000404424886 940962996 /nfs/dbraw/zinc/96/29/96/940962996.db2.gz XZYPONOYBACOHB-UHFFFAOYSA-N -1 3 266.732 1.947 20 10 CDCDHM O=C1c2cccc(OC3COC3)c2C(=O)c2cccc([O-])c21 ZINC001229185741 942429678 /nfs/dbraw/zinc/42/96/78/942429678.db2.gz AXOLJIVAZUCLNE-UHFFFAOYSA-N -1 3 296.278 1.945 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC001231448483 942894648 /nfs/dbraw/zinc/89/46/48/942894648.db2.gz GCDURNOUQASNEH-JTQLQIEISA-N -1 3 265.309 1.295 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC001231448483 942894653 /nfs/dbraw/zinc/89/46/53/942894653.db2.gz GCDURNOUQASNEH-JTQLQIEISA-N -1 3 265.309 1.295 20 10 CDCDHM Cc1cc([O-])c(CN2CC3(C2)CS(=O)C3)cc1Cl ZINC001231866956 943035658 /nfs/dbraw/zinc/03/56/58/943035658.db2.gz FZUMDGKPJVZWHL-UHFFFAOYSA-N -1 3 285.796 1.918 20 10 CDCDHM CC(=O)N[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335704 943549128 /nfs/dbraw/zinc/54/91/28/943549128.db2.gz HUHCDJMGMOVLBP-SECBINFHSA-N -1 3 270.279 1.381 20 10 CDCDHM Cc1nnc(-c2ccc([O-])c(CN3CCOCC3)c2)o1 ZINC001253471265 951923766 /nfs/dbraw/zinc/92/37/66/951923766.db2.gz XJTFEDCFSOMPTE-UHFFFAOYSA-N -1 3 275.308 1.583 20 10 CDCDHM C[C@H]([NH2+]C1CCN(CC(=O)[O-])CC1)c1ccc(F)cc1[O-] ZINC001589124184 956155181 /nfs/dbraw/zinc/15/51/81/956155181.db2.gz RIWPFOYBWSESJZ-JTQLQIEISA-N -1 3 296.342 1.731 20 10 CDCDHM CC(C)[C@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245924 994442754 /nfs/dbraw/zinc/44/27/54/994442754.db2.gz DXEUUICVUWUMAI-TVQRCGJNSA-N -1 3 267.325 1.758 20 10 CDCDHM Cc1cc(Cl)cc(CN2CC(=O)N[C@H](C)C2)c1[O-] ZINC000295134396 199364208 /nfs/dbraw/zinc/36/42/08/199364208.db2.gz YXVASPGQSYISEV-SECBINFHSA-N -1 3 268.744 1.674 20 10 CDCDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(F)ccc1[O-] ZINC000180157948 357247461 /nfs/dbraw/zinc/24/74/61/357247461.db2.gz QTTUROQKOSBFIS-SNVBAGLBSA-N -1 3 289.372 1.786 20 10 CDCDHM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc(O)c1[O-] ZINC000366150686 361037684 /nfs/dbraw/zinc/03/76/84/361037684.db2.gz FFEUFDUUNZQUHU-BMIGLBTASA-N -1 3 293.319 1.166 20 10 CDCDHM [O-]c1cc2c(cc1CN1CCOCC(F)(F)C1)OCO2 ZINC000288680563 369482602 /nfs/dbraw/zinc/48/26/02/369482602.db2.gz SODPTMUNLQGEPA-UHFFFAOYSA-N -1 3 287.262 1.588 20 10 CDCDHM O=C(C=Cc1cncc([O-])c1)N1CCCc2n[nH]cc21 ZINC000493367761 375447282 /nfs/dbraw/zinc/44/72/82/375447282.db2.gz LFKVAISJHGAGEL-ONEGZZNKSA-N -1 3 270.292 1.503 20 10 CDCDHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177677054 391173906 /nfs/dbraw/zinc/17/39/06/391173906.db2.gz OMZHSFGPVCHSAH-NXEZZACHSA-N -1 3 294.351 1.439 20 10 CDCDHM CCOC[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182553578 391237092 /nfs/dbraw/zinc/23/70/92/391237092.db2.gz HYQCUYQTNNTUHG-LLVKDONJSA-N -1 3 279.336 1.905 20 10 CDCDHM CCC[C@H](CCO)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182812063 391244589 /nfs/dbraw/zinc/24/45/89/391244589.db2.gz VYUWNDQMPMHARK-LLVKDONJSA-N -1 3 281.352 1.935 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c([O-])c1O ZINC000179536910 391209443 /nfs/dbraw/zinc/20/94/43/391209443.db2.gz KGLZLTOPKFAVIS-GXSJLCMTSA-N -1 3 292.335 1.180 20 10 CDCDHM COc1ccc2c(c1)CCCCN2Cc1nc(=O)[n-][nH]1 ZINC000271738708 286389095 /nfs/dbraw/zinc/38/90/95/286389095.db2.gz VWMYOBBKUQBYIM-UHFFFAOYSA-N -1 3 274.324 1.450 20 10 CDCDHM CC[C@@H](C)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126387182 260349800 /nfs/dbraw/zinc/34/98/00/260349800.db2.gz OJXIPGWCKDZEHN-LLVKDONJSA-N -1 3 278.352 1.654 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000363926645 262037019 /nfs/dbraw/zinc/03/70/19/262037019.db2.gz KHIGWCBZEZBHBZ-STQMWFEESA-N -1 3 293.319 1.118 20 10 CDCDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(F)ccc1[O-] ZINC000378502600 329053197 /nfs/dbraw/zinc/05/31/97/329053197.db2.gz VZBNPPZJURLZEW-QWHCGFSZSA-N -1 3 297.326 1.684 20 10 CDCDHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(F)ccc1[O-] ZINC000378502598 329053294 /nfs/dbraw/zinc/05/32/94/329053294.db2.gz VZBNPPZJURLZEW-CHWSQXEVSA-N -1 3 297.326 1.684 20 10 CDCDHM O=S1(=O)CCCN(Cc2ccccc2[O-])CC1 ZINC000226565111 329261187 /nfs/dbraw/zinc/26/11/87/329261187.db2.gz YNYQKMGCNDQRCP-UHFFFAOYSA-N -1 3 255.339 1.013 20 10 CDCDHM COCC[C@@H]1COCCN1Cc1ccccc1[O-] ZINC000291024148 521889472 /nfs/dbraw/zinc/88/94/72/521889472.db2.gz AORWYUINXRRJAH-CYBMUJFWSA-N -1 3 251.326 1.630 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2CO)c1[O-] ZINC000050150219 518285441 /nfs/dbraw/zinc/28/54/41/518285441.db2.gz RWIRDVNQNHDTJQ-GFCCVEGCSA-N -1 3 267.300 1.691 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncn(C)n2)c1[O-] ZINC000275664324 518288386 /nfs/dbraw/zinc/28/83/86/518288386.db2.gz YKIGDRGPSYOEJG-QMMMGPOBSA-N -1 3 292.314 1.713 20 10 CDCDHM CCCN1CCCN(C(=O)c2cccc(O)c2[O-])CC1=O ZINC000276365905 519850884 /nfs/dbraw/zinc/85/08/84/519850884.db2.gz BBQYEHCTXYZTKL-UHFFFAOYSA-N -1 3 292.335 1.182 20 10 CDCDHM CCN(CCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050134560 521122049 /nfs/dbraw/zinc/12/20/49/521122049.db2.gz SOWOZDUSEZSGJI-UHFFFAOYSA-N -1 3 255.289 1.548 20 10 CDCDHM CN(CCS(C)(=O)=O)Cc1c([O-])ccc2ccncc21 ZINC000728046841 574611047 /nfs/dbraw/zinc/61/10/47/574611047.db2.gz NYHHCCHVLAWNHB-UHFFFAOYSA-N -1 3 294.376 1.417 20 10 CDCDHM O=C([O-])[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC001601642348 1174925677 /nfs/dbraw/zinc/92/56/77/1174925677.db2.gz GODUCZKLGSPYBZ-ZDUSSCGKSA-N -1 3 279.336 1.752 20 10 CDCDHM O=C(NCCc1ccc(O)c(O)c1)c1csc(=O)[n-]1 ZINC000771631598 575599167 /nfs/dbraw/zinc/59/91/67/575599167.db2.gz GWGPLDMOJHJYND-UHFFFAOYSA-N -1 3 280.305 1.232 20 10 CDCDHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000766249290 576088900 /nfs/dbraw/zinc/08/89/00/576088900.db2.gz IJFIRSCJCONUPE-RKDXNWHRSA-N -1 3 268.338 1.098 20 10 CDCDHM CC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H](C)O1 ZINC000768447267 576284205 /nfs/dbraw/zinc/28/42/05/576284205.db2.gz NXTBZXSBJWEKSM-HCKVZZMMSA-N -1 3 293.363 1.817 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nccn2C)c1 ZINC000756539699 576994341 /nfs/dbraw/zinc/99/43/41/576994341.db2.gz RNUFJDWMCOXVIE-JTQLQIEISA-N -1 3 289.335 1.763 20 10 CDCDHM COC(=O)[C@@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000752808242 577129185 /nfs/dbraw/zinc/12/91/85/577129185.db2.gz ROASFKKZMYMLGC-VIFPVBQESA-N -1 3 255.295 1.135 20 10 CDCDHM CCC[N@H+](CC(=O)[O-])Cc1c([O-])cccc1OC ZINC000829472957 604475478 /nfs/dbraw/zinc/47/54/78/604475478.db2.gz HZQCGUZOMBFOBG-UHFFFAOYSA-N -1 3 253.298 1.697 20 10 CDCDHM CCC[N@@H+](CC(=O)[O-])Cc1c([O-])cccc1OC ZINC000829472957 604475481 /nfs/dbraw/zinc/47/54/81/604475481.db2.gz HZQCGUZOMBFOBG-UHFFFAOYSA-N -1 3 253.298 1.697 20 10 CDCDHM COc1cccc(CNc2cnccc2-c2nnn[n-]2)c1O ZINC000826216120 608377762 /nfs/dbraw/zinc/37/77/62/608377762.db2.gz LLFWEBBRQKPHPJ-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM COc1cccc(CNc2cnccc2-c2nn[n-]n2)c1O ZINC000826216120 608377764 /nfs/dbraw/zinc/37/77/64/608377764.db2.gz LLFWEBBRQKPHPJ-UHFFFAOYSA-N -1 3 298.306 1.588 20 10 CDCDHM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1cc(F)ccc1[O-] ZINC000895119101 619312609 /nfs/dbraw/zinc/31/26/09/619312609.db2.gz VGVMPHMYJRUPAQ-LPEHRKFASA-N -1 3 266.316 1.629 20 10 CDCDHM C[C@@H]([NH2+]CCCCCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963418 1173213541 /nfs/dbraw/zinc/21/35/41/1173213541.db2.gz WWEKHHBBZGOBIV-SNVBAGLBSA-N -1 3 291.355 1.386 20 10 CDCDHM Cc1cc(O)c(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1C ZINC001607700316 1164274286 /nfs/dbraw/zinc/27/42/86/1164274286.db2.gz VPSLZVJRULIJHL-OCCSQVGLSA-N -1 3 279.336 1.419 20 10 CDCDHM C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000844933644 736680159 /nfs/dbraw/zinc/68/01/59/736680159.db2.gz GTMGERWPBDRTIJ-LDYMZIIASA-N -1 3 253.273 1.969 20 10 CDCDHM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(F)ccc1[O-] ZINC000844933644 736680163 /nfs/dbraw/zinc/68/01/63/736680163.db2.gz GTMGERWPBDRTIJ-LDYMZIIASA-N -1 3 253.273 1.969 20 10 CDCDHM CCOC(=O)CCN(C)C(=O)c1cccc(O)c1[O-] ZINC000126365990 737374909 /nfs/dbraw/zinc/37/49/09/737374909.db2.gz LPSBLILTAXMUSL-UHFFFAOYSA-N -1 3 267.281 1.123 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCc2n[nH]cc21 ZINC000790070340 737464901 /nfs/dbraw/zinc/46/49/01/737464901.db2.gz HIMSHLXLOIYZKY-UHFFFAOYSA-N -1 3 259.265 1.414 20 10 CDCDHM CCn1ccnc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000836945844 737999204 /nfs/dbraw/zinc/99/92/04/737999204.db2.gz DJPKJDUZNNBCCJ-SECBINFHSA-N -1 3 275.308 1.805 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCn3cncc3C2)c1[O-] ZINC000821272832 738601964 /nfs/dbraw/zinc/60/19/64/738601964.db2.gz ZCLQOIDBNBYSSR-UHFFFAOYSA-N -1 3 289.310 1.946 20 10 CDCDHM CCO[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000837733848 738667365 /nfs/dbraw/zinc/66/73/65/738667365.db2.gz GSKJDBMHBSUUHD-DTORHVGOSA-N -1 3 251.282 1.395 20 10 CDCDHM Cc1[nH]nc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000780929265 738811982 /nfs/dbraw/zinc/81/19/82/738811982.db2.gz WRQDHFBMYUGASU-UHFFFAOYSA-N -1 3 261.281 1.998 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC(=O)N(C)CC2)c1[O-] ZINC000852579940 737817858 /nfs/dbraw/zinc/81/78/58/737817858.db2.gz LLVANKQHWXELFM-UHFFFAOYSA-N -1 3 294.326 1.398 20 10 CDCDHM CC[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000093050079 739107550 /nfs/dbraw/zinc/10/75/50/739107550.db2.gz IJOSLTZHPQYRTM-NSHDSACASA-N -1 3 268.744 1.756 20 10 CDCDHM C[C@H](NCc1nc(=O)n(C)[n-]1)c1ccc(N(C)C)cc1 ZINC000775832968 739130386 /nfs/dbraw/zinc/13/03/86/739130386.db2.gz DGDJLOVHBVAGIY-JTQLQIEISA-N -1 3 275.356 1.025 20 10 CDCDHM C[C@H]([NH2+]CC1(CO)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780082 1165079101 /nfs/dbraw/zinc/07/91/01/1165079101.db2.gz SLCGVTGKADRKKR-JTQLQIEISA-N -1 3 279.336 1.904 20 10 CDCDHM Nc1cncc(S(=O)(=O)[N-]c2ccc(O)cc2Cl)c1 ZINC001216428010 896850856 /nfs/dbraw/zinc/85/08/56/896850856.db2.gz JKSWUHKHLQYUJM-UHFFFAOYSA-N -1 3 299.739 1.824 20 10 CDCDHM O=C([O-])c1ccc(O)c(CN2CC[C@@]23CCOC3)c1 ZINC001231567136 911783749 /nfs/dbraw/zinc/78/37/49/911783749.db2.gz VUQYUJAGESNBDO-AWEZNQCLSA-N -1 3 263.293 1.455 20 10 CDCDHM CN1CCN(Cc2c([O-])cccc2Cl)CCC1=O ZINC000827359856 936589135 /nfs/dbraw/zinc/58/91/35/936589135.db2.gz UASSLBVNVNKMKB-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM CCN1C[C@@H](C)N(Cc2cc(F)ccc2[O-])CC1=O ZINC001140060140 936675729 /nfs/dbraw/zinc/67/57/29/936675729.db2.gz MLJYZRGTMAINKR-SNVBAGLBSA-N -1 3 266.316 1.584 20 10 CDCDHM COC(=O)[C@@H]1CN(C)CCN1Cc1ccc(Cl)cc1[O-] ZINC001140464583 936712838 /nfs/dbraw/zinc/71/28/38/936712838.db2.gz WBJJHXSOBMTLHH-LBPRGKRZSA-N -1 3 298.770 1.335 20 10 CDCDHM Nc1cc[nH]c(=O)c1NC(=O)c1ccc([O-])c(O)c1Cl ZINC001193220816 923538545 /nfs/dbraw/zinc/53/85/45/923538545.db2.gz YBPCMFSQDSHXKI-UHFFFAOYSA-N -1 3 295.682 1.686 20 10 CDCDHM CN1CCC[C@@](C)(NC(=O)c2cc(O)c([O-])c(Cl)c2)C1 ZINC001193634357 923821858 /nfs/dbraw/zinc/82/18/58/923821858.db2.gz VEMNLBUQWRNFLT-CQSZACIVSA-N -1 3 298.770 1.965 20 10 CDCDHM CN1CCN(C2CN(Cc3cc(F)c(F)cc3[O-])C2)CC1 ZINC001142530696 937028429 /nfs/dbraw/zinc/02/84/29/937028429.db2.gz KEPOUBKSACZXCF-UHFFFAOYSA-N -1 3 297.349 1.102 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCN(C)[C@H](C)C2)c1[O-] ZINC000110727198 927830707 /nfs/dbraw/zinc/83/07/07/927830707.db2.gz OAECOJZUTJUWJS-SNVBAGLBSA-N -1 3 280.343 1.870 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cc(O)c([O-])c(Cl)c2)CCN1 ZINC001161023639 932409930 /nfs/dbraw/zinc/40/99/30/932409930.db2.gz QBWQKCASYHLZJO-SSDOTTSWSA-N -1 3 270.716 1.185 20 10 CDCDHM CCOC(=O)c1n[nH]cc1NC(=O)c1cccc(O)c1[O-] ZINC001148212539 932668144 /nfs/dbraw/zinc/66/81/44/932668144.db2.gz CVFODVXPNAKNKR-UHFFFAOYSA-N -1 3 291.263 1.250 20 10 CDCDHM CCCCOC(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001148220218 932671935 /nfs/dbraw/zinc/67/19/35/932671935.db2.gz ZAHZBQMQNWLCGY-VIFPVBQESA-N -1 3 281.308 1.559 20 10 CDCDHM O=C(Nc1cn(CCF)cn1)c1cc(O)c([O-])c(O)c1 ZINC001148581814 932750802 /nfs/dbraw/zinc/75/08/02/932750802.db2.gz BKQORDVRNOYOPZ-UHFFFAOYSA-N -1 3 281.243 1.222 20 10 CDCDHM CC1(C)CN(C(=O)c2cc(O)c([O-])c(O)c2)[C@@](C)(CO)C1 ZINC001148582850 932750813 /nfs/dbraw/zinc/75/08/13/932750813.db2.gz NLCPMPLGIUXYQI-OAHLLOKOSA-N -1 3 295.335 1.427 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCCC[C@](O)(CF)C2)c([O-])c1 ZINC001231447442 942893543 /nfs/dbraw/zinc/89/35/43/942893543.db2.gz UEMLLPGOANQABI-HNNXBMFYSA-N -1 3 297.326 1.777 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)c([O-])c1 ZINC001231447442 942893547 /nfs/dbraw/zinc/89/35/47/942893547.db2.gz UEMLLPGOANQABI-HNNXBMFYSA-N -1 3 297.326 1.777 20 10 CDCDHM O=C([O-])c1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001231564909 942930385 /nfs/dbraw/zinc/93/03/85/942930385.db2.gz JWHMRXPJUBQFOG-PHIMTYICSA-N -1 3 275.304 1.501 20 10 CDCDHM COc1cc([O-])c(CN2CC(C)(O)C2)cc1Cl ZINC001232263899 943194160 /nfs/dbraw/zinc/19/41/60/943194160.db2.gz BGQBDMLMYJCYSC-UHFFFAOYSA-N -1 3 257.717 1.621 20 10 CDCDHM COc1cc([O-])c(CN2CCN(C)C(=O)[C@@H]2C)cc1Cl ZINC001232269921 943196325 /nfs/dbraw/zinc/19/63/25/943196325.db2.gz NOFAROMLOGHOAV-VIFPVBQESA-N -1 3 298.770 1.717 20 10 CDCDHM C[C@]1(CO)CN(Cc2ccc(F)c(F)c2[O-])CC[C@@H]1O ZINC001233076519 943485560 /nfs/dbraw/zinc/48/55/60/943485560.db2.gz PYWDUCLXHNKFBH-SMDDNHRTSA-N -1 3 287.306 1.236 20 10 CDCDHM [O-]c1c(CN2CCN3CC[C@H]3C2)ccc(F)c1F ZINC001233080485 943487096 /nfs/dbraw/zinc/48/70/96/943487096.db2.gz VKXXCSWYPIEHRR-JTQLQIEISA-N -1 3 254.280 1.560 20 10 CDCDHM CC(=O)N[C@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334711 943546272 /nfs/dbraw/zinc/54/62/72/943546272.db2.gz QOPLPWILFZFIDF-JTQLQIEISA-N -1 3 284.306 1.771 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCN(C2CC2)CC1 ZINC001233331981 943547144 /nfs/dbraw/zinc/54/71/44/943547144.db2.gz SKBXETJXRKBYAP-UHFFFAOYSA-N -1 3 268.307 1.950 20 10 CDCDHM CN1CCCc2cc(CNC(=O)c3cc(=O)[n-]cn3)ccc21 ZINC001331335208 956976782 /nfs/dbraw/zinc/97/67/82/956976782.db2.gz UXFUXMYSBYQJHP-UHFFFAOYSA-N -1 3 298.346 1.495 20 10 CDCDHM CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001597102080 986725336 /nfs/dbraw/zinc/72/53/36/986725336.db2.gz MVLVPIBVELJFNM-VXGBXAGGSA-N -1 3 295.335 1.058 20 10 CDCDHM CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001597102080 986725339 /nfs/dbraw/zinc/72/53/39/986725339.db2.gz MVLVPIBVELJFNM-VXGBXAGGSA-N -1 3 295.335 1.058 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@H]2CO)c([O-])c1O ZINC000189512407 358020651 /nfs/dbraw/zinc/02/06/51/358020651.db2.gz GBGSOKDBRGJSBP-LDYMZIIASA-N -1 3 265.309 1.249 20 10 CDCDHM CCCOc1ccc([C@@H]2NC(=O)CN2CC)c([O-])c1 ZINC000189860203 358042540 /nfs/dbraw/zinc/04/25/40/358042540.db2.gz OTJWKVHHCGQPJJ-CQSZACIVSA-N -1 3 264.325 1.631 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN2CCOC[C@@H]2C1 ZINC000368812941 369600721 /nfs/dbraw/zinc/60/07/21/369600721.db2.gz ATZSJRDGVVILRT-LBPRGKRZSA-N -1 3 266.316 1.048 20 10 CDCDHM CCOCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000293784180 371344805 /nfs/dbraw/zinc/34/48/05/371344805.db2.gz BWYVFBWHEKOJSA-UHFFFAOYSA-N -1 3 253.298 1.643 20 10 CDCDHM CO[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])CC1(C)C ZINC000296298884 371700792 /nfs/dbraw/zinc/70/07/92/371700792.db2.gz YDHXYKPUXVKLKP-GFCCVEGCSA-N -1 3 279.336 1.985 20 10 CDCDHM CCn1ccnc1CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000297348786 371984567 /nfs/dbraw/zinc/98/45/67/371984567.db2.gz YCOOONBQSBJUHT-UHFFFAOYSA-N -1 3 275.308 1.553 20 10 CDCDHM CN1CCCN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000191662692 373507885 /nfs/dbraw/zinc/50/78/85/373507885.db2.gz KBRMPVMFJYAQOB-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM O=C(C=Cc1cncc([O-])c1)N1CCCc2n[nH]cc21 ZINC000493367759 375447420 /nfs/dbraw/zinc/44/74/20/375447420.db2.gz LFKVAISJHGAGEL-ARJAWSKDSA-N -1 3 270.292 1.503 20 10 CDCDHM CCCOc1ccc(CN(C)CC(=O)NC2CC2)c([O-])c1 ZINC000120359349 390868425 /nfs/dbraw/zinc/86/84/25/390868425.db2.gz XNHHGQBVFPKKDR-UHFFFAOYSA-N -1 3 292.379 1.891 20 10 CDCDHM CCCN(Cc1ccccc1[O-])Cc1nc(N)nc(N)n1 ZINC000173282761 391104660 /nfs/dbraw/zinc/10/46/60/391104660.db2.gz UFPJHBXJRWYTNZ-UHFFFAOYSA-N -1 3 288.355 1.154 20 10 CDCDHM CN(C)C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000183399915 391263359 /nfs/dbraw/zinc/26/33/59/391263359.db2.gz XRTGWODMGRBYTJ-GFCCVEGCSA-N -1 3 284.787 1.808 20 10 CDCDHM CCC[C@@](C)(NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000271335610 391294114 /nfs/dbraw/zinc/29/41/14/391294114.db2.gz ZMUXQJSDWNKBKX-OAHLLOKOSA-N -1 3 295.335 1.868 20 10 CDCDHM CN(CCO)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000157733094 261151551 /nfs/dbraw/zinc/15/15/51/261151551.db2.gz APFACMNDDZUXGS-UHFFFAOYSA-N -1 3 260.677 1.378 20 10 CDCDHM Cc1ccc(C(=O)NCC(C)(C)C[C@H](C)O)c([O-])c1O ZINC000179529112 261793647 /nfs/dbraw/zinc/79/36/47/261793647.db2.gz MAWBGQWMNONGNE-JTQLQIEISA-N -1 3 281.352 1.933 20 10 CDCDHM CCS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1[O-] ZINC000185330828 262050625 /nfs/dbraw/zinc/05/06/25/262050625.db2.gz KPVFILIAUXVLQB-SECBINFHSA-N -1 3 275.345 1.617 20 10 CDCDHM CC(C)N1CCN(Cc2cc3c(cc2[O-])OCO3)CC1=O ZINC000272444044 263004468 /nfs/dbraw/zinc/00/44/68/263004468.db2.gz ISGXCYLBATXHAI-UHFFFAOYSA-N -1 3 292.335 1.174 20 10 CDCDHM CCOC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000185655366 327842092 /nfs/dbraw/zinc/84/20/92/327842092.db2.gz NQAYIRQIEBKHTN-LLVKDONJSA-N -1 3 279.336 1.987 20 10 CDCDHM O=C1CCC(S(=O)(=O)Nc2ccc([O-])c(F)c2)CC1 ZINC000708238923 1159195433 /nfs/dbraw/zinc/19/54/33/1159195433.db2.gz JSGCJXRXNPKKTC-UHFFFAOYSA-N -1 3 287.312 1.785 20 10 CDCDHM O=C(/C=C/c1cncc([O-])c1)N1CC(=O)Nc2cnccc21 ZINC000492994640 332421833 /nfs/dbraw/zinc/42/18/33/332421833.db2.gz KAXXYUGDGORATO-OWOJBTEDSA-N -1 3 296.286 1.181 20 10 CDCDHM [O-]c1cccc(Cl)c1CNC[C@H]1COCCN1 ZINC000530180630 333527264 /nfs/dbraw/zinc/52/72/64/333527264.db2.gz DMGZCFDWXDDLIM-VIFPVBQESA-N -1 3 256.733 1.124 20 10 CDCDHM CC[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048923164 523996606 /nfs/dbraw/zinc/99/66/06/523996606.db2.gz LWXRQLBBNHCKQN-QMMMGPOBSA-N -1 3 286.353 1.292 20 10 CDCDHM C[C@H](CN1CCCCC1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000276499063 524331692 /nfs/dbraw/zinc/33/16/92/524331692.db2.gz BVZMQDBJONVOEY-SNVBAGLBSA-N -1 3 296.342 1.841 20 10 CDCDHM C[C@@H]1CN(Cc2ccccc2[O-])CC[S@@](=O)C1 ZINC000277311893 525014444 /nfs/dbraw/zinc/01/44/44/525014444.db2.gz BPGZPGCGYWZMOT-PIGZYNQJSA-N -1 3 253.367 1.593 20 10 CDCDHM C[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279877380 525410082 /nfs/dbraw/zinc/41/00/82/525410082.db2.gz RKMSVPDFOVIYGO-NXEZZACHSA-N -1 3 265.309 1.643 20 10 CDCDHM O=C(N[C@H]1CCC[C@@H]1CCO)c1cccc(O)c1[O-] ZINC000280422237 527033532 /nfs/dbraw/zinc/03/35/32/527033532.db2.gz ITFAAFQHQRBXIZ-KOLCDFICSA-N -1 3 265.309 1.379 20 10 CDCDHM Cn1ccnc1[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000366013631 527461014 /nfs/dbraw/zinc/46/10/14/527461014.db2.gz OULHDFORUZESLJ-SNVBAGLBSA-N -1 3 287.319 1.461 20 10 CDCDHM O=c1cc2c(n[nH]1)CCN(Cc1cc(F)ccc1[O-])C2 ZINC000274915892 527484277 /nfs/dbraw/zinc/48/42/77/527484277.db2.gz KYLLVCQCEMGRKX-UHFFFAOYSA-N -1 3 275.283 1.173 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CC[S@@](=O)C1 ZINC000762924151 575015642 /nfs/dbraw/zinc/01/56/42/575015642.db2.gz YKLFCJRGATUDFD-CQLKUDPESA-N -1 3 273.379 1.294 20 10 CDCDHM CC(C)NC(=O)CN(C)C(=O)c1cc([O-])cs1 ZINC000732258313 575084568 /nfs/dbraw/zinc/08/45/68/575084568.db2.gz RSRABZQECWLAKY-UHFFFAOYSA-N -1 3 256.327 1.050 20 10 CDCDHM CO[C@H](CNCc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000733329964 575115173 /nfs/dbraw/zinc/11/51/73/575115173.db2.gz MNXCVTHUQAQIJJ-SNVBAGLBSA-N -1 3 294.229 1.967 20 10 CDCDHM CCOc1ccc(CN(C)CC(=O)NC2CC2)c([O-])c1 ZINC000768204214 576264396 /nfs/dbraw/zinc/26/43/96/576264396.db2.gz SEYKFVCPRVUNOA-UHFFFAOYSA-N -1 3 278.352 1.501 20 10 CDCDHM CN(CC(N)=O)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768242704 576266651 /nfs/dbraw/zinc/26/66/51/576266651.db2.gz BPKCWMDTJBKSDZ-UHFFFAOYSA-N -1 3 270.332 1.976 20 10 CDCDHM CS[C@H](CO)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000769340432 576347478 /nfs/dbraw/zinc/34/74/78/576347478.db2.gz JVVUAWOPBUUOMA-IMTBSYHQSA-N -1 3 261.368 1.296 20 10 CDCDHM CCOc1ccc(CN2CCn3nc(C)nc3C2)c([O-])c1 ZINC000769447042 576354862 /nfs/dbraw/zinc/35/48/62/576354862.db2.gz QHVJNZKCSGXLDU-UHFFFAOYSA-N -1 3 288.351 1.707 20 10 CDCDHM O=C(NC[C@H](O)c1ccsc1)c1cc([O-])cs1 ZINC000740114176 576421059 /nfs/dbraw/zinc/42/10/59/576421059.db2.gz LTVOGXGOGJJJGW-VIFPVBQESA-N -1 3 269.347 1.979 20 10 CDCDHM O=C(/C=C\c1ccc(O)c(O)c1)[N-]OCC(F)F ZINC000760140125 576460620 /nfs/dbraw/zinc/46/06/20/576460620.db2.gz AWKFFEIYHYRLSY-RQOWECAXSA-N -1 3 259.208 1.424 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)C1CCOCC1 ZINC000762579454 576655945 /nfs/dbraw/zinc/65/59/45/576655945.db2.gz QJPJABOEOVRYHK-MRVPVSSYSA-N -1 3 255.339 1.999 20 10 CDCDHM CCC[C@H](CCO)CNC(=O)c1cc([O-])cs1 ZINC000748377868 576909712 /nfs/dbraw/zinc/90/97/12/576909712.db2.gz YBOQQVDWNZKCIM-SECBINFHSA-N -1 3 257.355 1.982 20 10 CDCDHM CN1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000154400840 632218580 /nfs/dbraw/zinc/21/85/80/632218580.db2.gz QZESVSCMZPTJQO-UHFFFAOYSA-N -1 3 285.185 1.902 20 10 CDCDHM O=C(CNc1cccc2n[nH]nc21)c1ccc([O-])c(O)c1 ZINC001170321665 1162336675 /nfs/dbraw/zinc/33/66/75/1162336675.db2.gz CELOFMFDCMVGKG-UHFFFAOYSA-N -1 3 284.275 1.664 20 10 CDCDHM C[C@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1cc(F)ccc1[O-] ZINC001609780803 1165078205 /nfs/dbraw/zinc/07/82/05/1165078205.db2.gz PGWFQJWLAMBQSR-QMMMGPOBSA-N -1 3 294.286 1.172 20 10 CDCDHM COc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001607326320 1164148489 /nfs/dbraw/zinc/14/84/89/1164148489.db2.gz DKSSLHXCKFCOKJ-ZJUUUORDSA-N -1 3 265.309 1.744 20 10 CDCDHM CSCC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126546705 742529104 /nfs/dbraw/zinc/52/91/04/742529104.db2.gz OLEZTDLWJDFGTC-MRVPVSSYSA-N -1 3 255.339 1.969 20 10 CDCDHM Cc1cc([O-])c(CN2C[C@@H](CO)OC[C@@H]2C)cc1Cl ZINC000824934033 740677337 /nfs/dbraw/zinc/67/73/37/740677337.db2.gz OEVYFTBVTHBKEW-JQWIXIFHSA-N -1 3 285.771 1.936 20 10 CDCDHM C[C@H](NCc1cnnn1C)c1cc(F)cc(F)c1[O-] ZINC000806660151 741182920 /nfs/dbraw/zinc/18/29/20/741182920.db2.gz ROGIUVXJBKBQPB-ZETCQYMHSA-N -1 3 268.267 1.650 20 10 CDCDHM CON(C)C(=O)[C@@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000883192404 741578786 /nfs/dbraw/zinc/57/87/86/741578786.db2.gz YTYAWQOESDWNMM-SSDOTTSWSA-N -1 3 274.267 1.168 20 10 CDCDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1[O-] ZINC000186985289 741821123 /nfs/dbraw/zinc/82/11/23/741821123.db2.gz MCECDTXLPFURKB-UHFFFAOYSA-N -1 3 288.259 1.936 20 10 CDCDHM NC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126208188 742069517 /nfs/dbraw/zinc/06/95/17/742069517.db2.gz LIBYISQVTBYIOM-UHFFFAOYSA-N -1 3 272.260 1.449 20 10 CDCDHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000790917020 739278628 /nfs/dbraw/zinc/27/86/28/739278628.db2.gz YDTKAILBLKZMKF-BZHVJNSISA-N -1 3 279.336 1.887 20 10 CDCDHM CN(C)c1cc(NC(=O)c2cccc(O)c2[O-])ccn1 ZINC000790858681 739795338 /nfs/dbraw/zinc/79/53/38/739795338.db2.gz FISAKQOXOFOQEG-UHFFFAOYSA-N -1 3 273.292 1.811 20 10 CDCDHM CCn1ncnc1CNCc1cc(Cl)ccc1[O-] ZINC000793346444 740852076 /nfs/dbraw/zinc/85/20/76/740852076.db2.gz QDQGBMYTDQGNGD-UHFFFAOYSA-N -1 3 266.732 1.947 20 10 CDCDHM O=C(CNC(=O)c1cccc(O)c1[O-])Nc1ccccc1 ZINC000186975738 741087505 /nfs/dbraw/zinc/08/75/05/741087505.db2.gz IZMFBRFRTPZMBV-UHFFFAOYSA-N -1 3 286.287 1.466 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N(CC(F)F)C1CC1 ZINC000187198521 741995254 /nfs/dbraw/zinc/99/52/54/741995254.db2.gz QIYABPBUEZGDQA-UHFFFAOYSA-N -1 3 257.236 1.968 20 10 CDCDHM CCN(CC(N)=O)Cc1c([O-])cccc1Br ZINC000707144038 742403763 /nfs/dbraw/zinc/40/37/63/742403763.db2.gz XWUGHSSRQIKLNM-UHFFFAOYSA-N -1 3 287.157 1.462 20 10 CDCDHM CC(C)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000709023226 742725210 /nfs/dbraw/zinc/72/52/10/742725210.db2.gz ZQXHFPKKECZURP-GFCCVEGCSA-N -1 3 265.309 1.595 20 10 CDCDHM CC(=O)N[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000228301350 911873715 /nfs/dbraw/zinc/87/37/15/911873715.db2.gz PVVMVUQLJHNTLO-ZDUSSCGKSA-N -1 3 294.326 1.444 20 10 CDCDHM O=C1NCC2(CCN(Cc3c(F)ccc(F)c3[O-])CC2)O1 ZINC001139685255 936635862 /nfs/dbraw/zinc/63/58/62/936635862.db2.gz CNLOPSXZWOIJEZ-UHFFFAOYSA-N -1 3 298.289 1.745 20 10 CDCDHM O=C(NCc1ccccc1O)c1nn[n-]c1C(F)(F)F ZINC001187769676 920629754 /nfs/dbraw/zinc/62/97/54/920629754.db2.gz CFNAGKAWULLOOV-UHFFFAOYSA-N -1 3 286.213 1.459 20 10 CDCDHM O=C(NCc1ccccc1O)c1[n-]nnc1C(F)(F)F ZINC001187769676 920629761 /nfs/dbraw/zinc/62/97/61/920629761.db2.gz CFNAGKAWULLOOV-UHFFFAOYSA-N -1 3 286.213 1.459 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])cc(F)cc2F)CC[C@@H]1O ZINC001140582253 936726896 /nfs/dbraw/zinc/72/68/96/936726896.db2.gz FQORWVYXOURLAL-UFBFGSQYSA-N -1 3 257.280 1.873 20 10 CDCDHM CN1CC2(C1)CN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140585189 936728225 /nfs/dbraw/zinc/72/82/25/936728225.db2.gz XUDKYLLAOUPUQG-UHFFFAOYSA-N -1 3 254.280 1.418 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCn2cccc2C1 ZINC001148213826 932667814 /nfs/dbraw/zinc/66/78/14/932667814.db2.gz KIPQQOSPTDNJOA-UHFFFAOYSA-N -1 3 258.277 1.555 20 10 CDCDHM O=C(Nc1n[nH]c(-c2ccncc2)n1)c1cccc(O)c1[O-] ZINC001148213141 932669206 /nfs/dbraw/zinc/66/92/06/932669206.db2.gz XPKUAWDPXUUWSS-UHFFFAOYSA-N -1 3 297.274 1.530 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ncc(F)cn1 ZINC001148224560 932671639 /nfs/dbraw/zinc/67/16/39/932671639.db2.gz PNGUHRCEIJTSKV-SSDOTTSWSA-N -1 3 277.255 1.518 20 10 CDCDHM COc1c(O)cccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586433 932752514 /nfs/dbraw/zinc/75/25/14/932752514.db2.gz OPJHEIWYFCFBMU-UHFFFAOYSA-N -1 3 291.259 1.770 20 10 CDCDHM CCn1cc(CN[C@@H](C)c2ccc(F)cc2[O-])nn1 ZINC000404440606 940962785 /nfs/dbraw/zinc/96/27/85/940962785.db2.gz GZXWPPLMDOSERJ-VIFPVBQESA-N -1 3 264.304 1.994 20 10 CDCDHM O=C([O-])c1ccc(CN2CCC3(C2)OCCO3)c(O)c1 ZINC001231452971 942895834 /nfs/dbraw/zinc/89/58/34/942895834.db2.gz YKYSUNNESCYBNZ-UHFFFAOYSA-N -1 3 279.292 1.039 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001231909346 943038129 /nfs/dbraw/zinc/03/81/29/943038129.db2.gz JZPZCKMVWZOGCV-QWRGUYRKSA-N -1 3 259.708 1.950 20 10 CDCDHM C[C@@H]1CNC(=O)CN1Cc1ccc2ccccc2c1[O-] ZINC001231880468 943039525 /nfs/dbraw/zinc/03/95/25/943039525.db2.gz GKULSARORUCTJL-LLVKDONJSA-N -1 3 270.332 1.866 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC001231910950 943050054 /nfs/dbraw/zinc/05/00/54/943050054.db2.gz WSSYRXTZDHFMCT-ZYHUDNBSSA-N -1 3 271.744 1.221 20 10 CDCDHM COc1cc([O-])c(CN2CCn3cnnc3C2)cc1Cl ZINC001232264604 943194348 /nfs/dbraw/zinc/19/43/48/943194348.db2.gz JQHVUBGAFFFCGQ-UHFFFAOYSA-N -1 3 294.742 1.662 20 10 CDCDHM [O-]c1c(F)c(F)ccc1CN1CCc2nncn2CC1 ZINC001233077055 943486980 /nfs/dbraw/zinc/48/69/80/943486980.db2.gz ZIGJOHQIJHEHSA-UHFFFAOYSA-N -1 3 280.278 1.320 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001604870818 974118370 /nfs/dbraw/zinc/11/83/70/974118370.db2.gz BVGSBYANRIDCEH-GHMZBOCLSA-N -1 3 279.336 1.943 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001604870818 974118377 /nfs/dbraw/zinc/11/83/77/974118377.db2.gz BVGSBYANRIDCEH-GHMZBOCLSA-N -1 3 279.336 1.943 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](C)O)c([O-])c1O ZINC000274411872 365656080 /nfs/dbraw/zinc/65/60/80/365656080.db2.gz MKZYUYJUYKBZBE-QWRGUYRKSA-N -1 3 295.335 1.018 20 10 CDCDHM Cn1cc(N2CCN(Cc3cc(F)ccc3[O-])CC2)cn1 ZINC000180152290 357247219 /nfs/dbraw/zinc/24/72/19/357247219.db2.gz OSVONEJJAXUUCZ-UHFFFAOYSA-N -1 3 290.342 1.587 20 10 CDCDHM CCOC[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187163129 357735128 /nfs/dbraw/zinc/73/51/28/357735128.db2.gz HYRHQKOSUWHSCY-SNVBAGLBSA-N -1 3 265.309 1.596 20 10 CDCDHM CN(CCC1CCOCC1)C(=O)c1cccc(O)c1[O-] ZINC000193132694 358268745 /nfs/dbraw/zinc/26/87/45/358268745.db2.gz MHOODVDVCSCRFP-UHFFFAOYSA-N -1 3 279.336 1.987 20 10 CDCDHM Cc1cc(NC(=O)CN(C)Cc2ccccc2[O-])n(C)n1 ZINC000111236462 359197135 /nfs/dbraw/zinc/19/71/35/359197135.db2.gz KPULINWWGMSFRO-UHFFFAOYSA-N -1 3 288.351 1.505 20 10 CDCDHM Cc1ccc(C(=O)NCCC(=O)OC(C)(C)C)c([O-])c1O ZINC000272780299 365395948 /nfs/dbraw/zinc/39/59/48/365395948.db2.gz UXCPNKOHHNRQGM-UHFFFAOYSA-N -1 3 295.335 1.868 20 10 CDCDHM CCN1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1=O ZINC000273721329 365521003 /nfs/dbraw/zinc/52/10/03/365521003.db2.gz IGVFKYYVHXKJGZ-UHFFFAOYSA-N -1 3 298.770 1.718 20 10 CDCDHM CCN1CCN(Cc2c([O-])cccc2Cl)CC1=O ZINC000273532545 365505011 /nfs/dbraw/zinc/50/50/11/365505011.db2.gz VMIFHNVSBANLNV-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000273585717 365509963 /nfs/dbraw/zinc/50/99/63/365509963.db2.gz ZSIXPPZJODRUQV-VHSXEESVSA-N -1 3 295.335 1.724 20 10 CDCDHM CN(C)C(=O)O[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000295162705 371138622 /nfs/dbraw/zinc/13/86/22/371138622.db2.gz SJUIEIVWDPYURX-GFCCVEGCSA-N -1 3 282.315 1.804 20 10 CDCDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295217165 371154675 /nfs/dbraw/zinc/15/46/75/371154675.db2.gz XVSUYAINPCNVCD-GZMMTYOYSA-N -1 3 294.326 1.449 20 10 CDCDHM CCCOc1ccc(CN(C)CC(=O)N(C)C)c([O-])c1 ZINC000132131685 390889333 /nfs/dbraw/zinc/88/93/33/390889333.db2.gz ODSVSNQAYVOYOT-UHFFFAOYSA-N -1 3 280.368 1.701 20 10 CDCDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000229417016 391117230 /nfs/dbraw/zinc/11/72/30/391117230.db2.gz CFEIRHXPQZJZER-BDAKNGLRSA-N -1 3 251.282 1.395 20 10 CDCDHM COCc1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000182652106 391238686 /nfs/dbraw/zinc/23/86/86/391238686.db2.gz VVPRILUXEADXBC-UHFFFAOYSA-N -1 3 263.297 1.554 20 10 CDCDHM C[C@@H](O)CN1CCN(Cc2cc(F)ccc2[O-])[C@H](C)C1 ZINC000284280204 391481639 /nfs/dbraw/zinc/48/16/39/391481639.db2.gz HKNBGAHIQMJJRL-VXGBXAGGSA-N -1 3 282.359 1.418 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@@](C)(C(N)=O)C(C)C)c1[O-] ZINC000289261386 391612153 /nfs/dbraw/zinc/61/21/53/391612153.db2.gz DEGCQPUAVNMNNT-OAHLLOKOSA-N -1 3 296.342 1.724 20 10 CDCDHM COC[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000180175029 261844611 /nfs/dbraw/zinc/84/46/11/261844611.db2.gz RZQLHSRWYHWELY-LBPRGKRZSA-N -1 3 255.289 1.379 20 10 CDCDHM Cc1nnc2n1CCN(Cc1cc(F)ccc1[O-])C2 ZINC000374889603 267820334 /nfs/dbraw/zinc/82/03/34/267820334.db2.gz CKNBJCAPTZNJCQ-UHFFFAOYSA-N -1 3 262.288 1.447 20 10 CDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)CO1 ZINC000126259362 300197964 /nfs/dbraw/zinc/19/79/64/300197964.db2.gz PEHMQPPUCXUBQV-IUCAKERBSA-N -1 3 251.282 1.347 20 10 CDCDHM CCO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])[C@H]1OC ZINC000280400168 328235347 /nfs/dbraw/zinc/23/53/47/328235347.db2.gz GYFDPQUMNORHQQ-UFGOTCBOSA-N -1 3 281.308 1.020 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000232594915 333339160 /nfs/dbraw/zinc/33/91/60/333339160.db2.gz NKXOUZPBPREPDO-HNNXBMFYSA-N -1 3 294.326 1.431 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](CO)C2)c1[O-] ZINC000050132048 518283559 /nfs/dbraw/zinc/28/35/59/518283559.db2.gz RVCCIZDVNNPGQC-NSHDSACASA-N -1 3 281.327 1.938 20 10 CDCDHM COc1c([O-])c(CN2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000278181265 521868855 /nfs/dbraw/zinc/86/88/55/521868855.db2.gz GZGLLFZHQIMQAT-UHFFFAOYSA-N -1 3 296.323 1.920 20 10 CDCDHM COC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCO1 ZINC000079463818 522508196 /nfs/dbraw/zinc/50/81/96/522508196.db2.gz RXWJHYMCFSGDDO-ZDUSSCGKSA-N -1 3 297.326 1.581 20 10 CDCDHM COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000275205218 524008402 /nfs/dbraw/zinc/00/84/02/524008402.db2.gz DTXFBPPVIUHWJE-HNNXBMFYSA-N -1 3 293.319 1.574 20 10 CDCDHM C[C@H](NCc1nnc2n1CCC2)c1ccc(F)cc1[O-] ZINC000273399771 525493886 /nfs/dbraw/zinc/49/38/86/525493886.db2.gz MUZAEQQFQCJZNZ-VIFPVBQESA-N -1 3 276.315 1.920 20 10 CDCDHM [O-]c1cccc(Cl)c1CNCCn1cncn1 ZINC000264978945 526362305 /nfs/dbraw/zinc/36/23/05/526362305.db2.gz SZTBYYVIOGQACZ-UHFFFAOYSA-N -1 3 252.705 1.427 20 10 CDCDHM O=C(NC[C@H]1COC2(CCCC2)O1)c1cccc(O)c1[O-] ZINC000280034096 526622460 /nfs/dbraw/zinc/62/24/60/526622460.db2.gz YLYZCFZCPRBLMM-JTQLQIEISA-N -1 3 293.319 1.513 20 10 CDCDHM Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(O)c1[O-] ZINC000279443214 527578811 /nfs/dbraw/zinc/57/88/11/527578811.db2.gz DAIMIJXURSDJDX-LLVKDONJSA-N -1 3 287.319 1.639 20 10 CDCDHM CNC(=O)Cc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732267453 575084911 /nfs/dbraw/zinc/08/49/11/575084911.db2.gz FWBUYPYVWYRDGB-UHFFFAOYSA-N -1 3 290.344 1.995 20 10 CDCDHM O=C(OCc1nnnn1C1CC1)c1cc([O-])cs1 ZINC000732352653 575088187 /nfs/dbraw/zinc/08/81/87/575088187.db2.gz AWBUIPIZZBFJOP-UHFFFAOYSA-N -1 3 266.282 1.132 20 10 CDCDHM CCOC1CC(O)(CNC(=O)c2cc([O-])cs2)C1 ZINC000774580833 575216752 /nfs/dbraw/zinc/21/67/52/575216752.db2.gz TWRMUXZSTBICRG-UHFFFAOYSA-N -1 3 271.338 1.114 20 10 CDCDHM COc1cccc([O-])c1CN1CCC[C@@H]1c1nncn1C ZINC000769525330 575356713 /nfs/dbraw/zinc/35/67/13/575356713.db2.gz TWJANHSPLIQKLY-GFCCVEGCSA-N -1 3 288.351 1.866 20 10 CDCDHM CCOc1ccc(CN(CC(=O)OC)C2CC2)c([O-])c1 ZINC000770281809 575436504 /nfs/dbraw/zinc/43/65/04/575436504.db2.gz WWBMSYUGNLNAIF-UHFFFAOYSA-N -1 3 279.336 1.928 20 10 CDCDHM C[C@@H]1COCCN1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000766634323 576117672 /nfs/dbraw/zinc/11/76/72/576117672.db2.gz MTTNUNLZFXSHPF-RNCFNFMXSA-N -1 3 265.309 1.039 20 10 CDCDHM COC(=O)[C@@H](NC(=O)c1cc([O-])cs1)C(C)(C)C ZINC000740167355 576433763 /nfs/dbraw/zinc/43/37/63/576433763.db2.gz GCFFGLVQYAXMRC-SECBINFHSA-N -1 3 271.338 1.771 20 10 CDCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)CCS1(=O)=O ZINC000760918797 576524937 /nfs/dbraw/zinc/52/49/37/576524937.db2.gz CQRGWOGTPOYTKD-MRVPVSSYSA-N -1 3 289.378 1.103 20 10 CDCDHM CCOC(=O)C[C@@H](C)CNC(=O)c1cc([O-])cs1 ZINC000761029381 576536186 /nfs/dbraw/zinc/53/61/86/576536186.db2.gz OMPXBHXAHUVGRY-MRVPVSSYSA-N -1 3 271.338 1.773 20 10 CDCDHM C[C@@H](N[C@H]1CCCCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000756395909 576988690 /nfs/dbraw/zinc/98/86/90/576988690.db2.gz KWWJOJRLCXIEJF-PELKAZGASA-N -1 3 284.306 1.990 20 10 CDCDHM CCCN(CC(=O)N(C)C)C(=O)c1cc([O-])cs1 ZINC000757916348 577060502 /nfs/dbraw/zinc/06/05/02/577060502.db2.gz QXDWFOJHHDAZLG-UHFFFAOYSA-N -1 3 270.354 1.394 20 10 CDCDHM O=C(C1=CC(=O)CS1)N1CCc2c(=O)[n-]cnc2C1 ZINC000753476471 577171836 /nfs/dbraw/zinc/17/18/36/577171836.db2.gz PJTPCFYNOUGVHL-UHFFFAOYSA-N -1 3 277.305 1.148 20 10 CDCDHM CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840891365 617635478 /nfs/dbraw/zinc/63/54/78/617635478.db2.gz RIVGXKYTKDFFMD-VHSXEESVSA-N -1 3 295.339 1.864 20 10 CDCDHM C[C@@]1(CO)C[C@@H](O)CN1Cc1c([O-])ccc(Cl)c1F ZINC000895328914 619567690 /nfs/dbraw/zinc/56/76/90/619567690.db2.gz HLPLKCCSVYVYDK-OQPBUACISA-N -1 3 289.734 1.502 20 10 CDCDHM O=C1CCCN1C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000897786739 621122218 /nfs/dbraw/zinc/12/22/18/621122218.db2.gz XSTJYUKOJXCNLK-UHFFFAOYSA-N -1 3 280.755 1.852 20 10 CDCDHM C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339217 1163156951 /nfs/dbraw/zinc/15/69/51/1163156951.db2.gz UTKLEMZTGLNZHM-JQWIXIFHSA-N -1 3 294.351 1.072 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(C(=O)[O-])ccc1[O-] ZINC001604357535 1163163152 /nfs/dbraw/zinc/16/31/52/1163163152.db2.gz LIIKKZCJGZBRIP-LQEIOPRQSA-N -1 3 289.331 1.917 20 10 CDCDHM CCc1cccc(CN2CC[C@](F)(C(=O)[O-])C2)c1O ZINC001605829122 1163679484 /nfs/dbraw/zinc/67/94/84/1163679484.db2.gz YUBLAEGRGGFJQK-CQSZACIVSA-N -1 3 267.300 1.953 20 10 CDCDHM CC(=O)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001609061712 1164753270 /nfs/dbraw/zinc/75/32/70/1164753270.db2.gz SFEQTMOCOXBOGM-UHFFFAOYSA-N -1 3 262.294 1.117 20 10 CDCDHM CC(=O)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001609061712 1164753274 /nfs/dbraw/zinc/75/32/74/1164753274.db2.gz SFEQTMOCOXBOGM-UHFFFAOYSA-N -1 3 262.294 1.117 20 10 CDCDHM C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774500 1165075147 /nfs/dbraw/zinc/07/51/47/1165075147.db2.gz VSXRDBKKLCSMJQ-MRVPVSSYSA-N -1 3 280.324 1.253 20 10 CDCDHM CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471379 1173422964 /nfs/dbraw/zinc/42/29/64/1173422964.db2.gz DEPSOBIPNPSUFQ-KBVBSXBZSA-N -1 3 289.339 1.136 20 10 CDCDHM CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604067151 1175745158 /nfs/dbraw/zinc/74/51/58/1175745158.db2.gz VCYMWRBYXJIHNE-VHSXEESVSA-N -1 3 291.355 1.384 20 10 CDCDHM CNC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000722188351 743469329 /nfs/dbraw/zinc/46/93/29/743469329.db2.gz HVPRVPYTLYYZKL-UHFFFAOYSA-N -1 3 283.759 1.503 20 10 CDCDHM CC[C@@H](C)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000839787626 742867424 /nfs/dbraw/zinc/86/74/24/742867424.db2.gz QBZIDXMFMJKCKS-SNVBAGLBSA-N -1 3 296.342 1.793 20 10 CDCDHM O=C(NCc1cn2ccsc2n1)c1cccc(O)c1[O-] ZINC000790515778 745595497 /nfs/dbraw/zinc/59/54/97/745595497.db2.gz HZXBECKETWXXQA-UHFFFAOYSA-N -1 3 289.316 1.737 20 10 CDCDHM COCCN1C(=O)C2(CC2)N[C@H]1c1cc(F)ccc1[O-] ZINC000840837916 745661824 /nfs/dbraw/zinc/66/18/24/745661824.db2.gz OUTUGUSQCFSGID-GFCCVEGCSA-N -1 3 280.299 1.141 20 10 CDCDHM CSC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000126547677 745959134 /nfs/dbraw/zinc/95/91/34/745959134.db2.gz VXRSOVXMUNOLKH-UHFFFAOYSA-N -1 3 255.339 1.969 20 10 CDCDHM NC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790489175 746005597 /nfs/dbraw/zinc/00/55/97/746005597.db2.gz CCKBRLFGNUHJTH-GFCCVEGCSA-N -1 3 286.287 1.054 20 10 CDCDHM CC(C)(C)NC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000126535853 746057306 /nfs/dbraw/zinc/05/73/06/746057306.db2.gz YSJTYZAMESZKEE-UHFFFAOYSA-N -1 3 280.324 1.132 20 10 CDCDHM COC(=O)[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876594918 747228104 /nfs/dbraw/zinc/22/81/04/747228104.db2.gz UBENAKYJUCTNRP-VIFPVBQESA-N -1 3 271.263 1.665 20 10 CDCDHM COC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000307765809 747810287 /nfs/dbraw/zinc/81/02/87/747810287.db2.gz CFWJPHVBNMXNJD-JTQLQIEISA-N -1 3 265.309 1.739 20 10 CDCDHM Cc1n[nH]c(C)c1CCNC(=O)c1cccc(O)c1[O-] ZINC000854867333 747877957 /nfs/dbraw/zinc/87/79/57/747877957.db2.gz JBFIVDLNBHLMLV-UHFFFAOYSA-N -1 3 275.308 1.410 20 10 CDCDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000397229287 748863231 /nfs/dbraw/zinc/86/32/31/748863231.db2.gz LIUOODIBVMDABT-ZDUSSCGKSA-N -1 3 251.282 1.254 20 10 CDCDHM CC(=O)OC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140467263 936713041 /nfs/dbraw/zinc/71/30/41/936713041.db2.gz SMAMPGQMVNYCCR-UHFFFAOYSA-N -1 3 255.701 1.793 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2c([O-])cc(F)cc2F)C[C@H]1O ZINC001140583157 936727875 /nfs/dbraw/zinc/72/78/75/936727875.db2.gz XKAFKRJSAIWFGM-KGLIPLIRSA-N -1 3 287.306 1.236 20 10 CDCDHM C[C@@H]1CCN(Cc2c([O-])c(F)ccc2F)C[C@@H]1O ZINC001139684400 937416769 /nfs/dbraw/zinc/41/67/69/937416769.db2.gz IVKVXYFXOCSYOU-PELKAZGASA-N -1 3 257.280 1.873 20 10 CDCDHM Cc1cnc(NC(=O)c2cccc(O)c2[O-])nc1C ZINC001148212960 932668167 /nfs/dbraw/zinc/66/81/67/932668167.db2.gz RLRCFEVLAZVCHB-UHFFFAOYSA-N -1 3 259.265 1.757 20 10 CDCDHM O=C(NCCC1CCC(O)CC1)c1cccc(O)c1[O-] ZINC001148224152 932672025 /nfs/dbraw/zinc/67/20/25/932672025.db2.gz DUNRFXYEUAVSMC-UHFFFAOYSA-N -1 3 279.336 1.769 20 10 CDCDHM O=C(Nc1cccc2nccnc21)c1cc(O)c([O-])c(O)c1 ZINC001148588673 932752572 /nfs/dbraw/zinc/75/25/72/932752572.db2.gz ZQESCDDBBPTQDK-UHFFFAOYSA-N -1 3 297.270 1.999 20 10 CDCDHM O=C(NC1(c2cccnn2)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148589830 932754307 /nfs/dbraw/zinc/75/43/07/932754307.db2.gz MTXIIGKCFPGZGJ-UHFFFAOYSA-N -1 3 287.275 1.013 20 10 CDCDHM CC[C@H]1C(=O)N(CC)CCN1Cc1cc(F)ccc1[O-] ZINC000779218942 934480323 /nfs/dbraw/zinc/48/03/23/934480323.db2.gz WTEQJBWDDQHEHO-ZDUSSCGKSA-N -1 3 280.343 1.974 20 10 CDCDHM O=C1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001203643247 939699333 /nfs/dbraw/zinc/69/93/33/939699333.db2.gz WAKRWMLHXHUEPE-UHFFFAOYSA-N -1 3 270.126 1.930 20 10 CDCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCOC1 ZINC001231452291 942896940 /nfs/dbraw/zinc/89/69/40/942896940.db2.gz KJKZJXYUESVHHE-NSHDSACASA-N -1 3 251.282 1.311 20 10 CDCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCOC1 ZINC001231452291 942896946 /nfs/dbraw/zinc/89/69/46/942896946.db2.gz KJKZJXYUESVHHE-NSHDSACASA-N -1 3 251.282 1.311 20 10 CDCDHM C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455867 942898143 /nfs/dbraw/zinc/89/81/43/942898143.db2.gz VRHLMBXDRHOLNB-JOYOIKCWSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455867 942898153 /nfs/dbraw/zinc/89/81/53/942898153.db2.gz VRHLMBXDRHOLNB-JOYOIKCWSA-N -1 3 265.309 1.436 20 10 CDCDHM CC(=O)N1CCCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231559987 942926746 /nfs/dbraw/zinc/92/67/46/942926746.db2.gz LXUAQNFKUSLGFJ-UHFFFAOYSA-N -1 3 292.335 1.145 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001231568582 942933090 /nfs/dbraw/zinc/93/30/90/942933090.db2.gz NJCJUZFNFJHZPM-WCQYABFASA-N -1 3 289.331 1.891 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001231568582 942933093 /nfs/dbraw/zinc/93/30/93/942933093.db2.gz NJCJUZFNFJHZPM-WCQYABFASA-N -1 3 289.331 1.891 20 10 CDCDHM COc1ccc(CN2CC(N(C)C)C2)c([O-])c1Cl ZINC001236801402 944572955 /nfs/dbraw/zinc/57/29/55/944572955.db2.gz IUMJXEHTIZUKHH-UHFFFAOYSA-N -1 3 270.760 1.800 20 10 CDCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@H](O)[C@H](CO)C1 ZINC001237119725 944661264 /nfs/dbraw/zinc/66/12/64/944661264.db2.gz FEDNSYGZTNYBAU-GZMMTYOYSA-N -1 3 289.734 1.360 20 10 CDCDHM CN1CC2(C1)CN(Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237801256 944955773 /nfs/dbraw/zinc/95/57/73/944955773.db2.gz GDADWMUSTLWPIC-UHFFFAOYSA-N -1 3 270.735 1.932 20 10 CDCDHM CN(C)C(=O)N[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000825278807 953966001 /nfs/dbraw/zinc/96/60/01/953966001.db2.gz JDAGHTISELELJL-GFCCVEGCSA-N -1 3 295.358 1.767 20 10 CDCDHM NC(=O)c1c[nH]nc1NCc1c([O-])cccc1Cl ZINC001308536518 956541652 /nfs/dbraw/zinc/54/16/52/956541652.db2.gz ZZEIUSWQNQZKGO-UHFFFAOYSA-N -1 3 266.688 1.480 20 10 CDCDHM CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605005318 1163412189 /nfs/dbraw/zinc/41/21/89/1163412189.db2.gz GMKMCCCSFZLUIB-UTLUCORTSA-N -1 3 291.355 1.646 20 10 CDCDHM C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239266 994422160 /nfs/dbraw/zinc/42/21/60/994422160.db2.gz CYMKYASSZBDGKU-VFZGTOFNSA-N -1 3 279.336 1.902 20 10 CDCDHM CNS(=O)(=O)CCN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000187175533 290757491 /nfs/dbraw/zinc/75/74/91/290757491.db2.gz FXJXIKFEDOAVRF-MRVPVSSYSA-N -1 3 292.788 1.245 20 10 CDCDHM CC1(C)C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000299081628 356969961 /nfs/dbraw/zinc/96/99/61/356969961.db2.gz JSDFHVJSAUQVTD-NSHDSACASA-N -1 3 298.364 1.292 20 10 CDCDHM COCCN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179641521 357218341 /nfs/dbraw/zinc/21/83/41/357218341.db2.gz ANHYDPQHMVLCPQ-UHFFFAOYSA-N -1 3 284.787 1.810 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H](C)[C@H]2CO)c([O-])c1O ZINC000189512383 358020105 /nfs/dbraw/zinc/02/01/05/358020105.db2.gz GBGSOKDBRGJSBP-GZMMTYOYSA-N -1 3 265.309 1.249 20 10 CDCDHM [O-]c1cc2c(cc1CN(CCO)CC(F)F)OCO2 ZINC000193026235 358259285 /nfs/dbraw/zinc/25/92/85/358259285.db2.gz IDHSEMRVYBIIIX-UHFFFAOYSA-N -1 3 275.251 1.180 20 10 CDCDHM C[C@H]1CN(C(=O)CN(C)Cc2ccccc2[O-])C[C@H](C)O1 ZINC000111235100 359197184 /nfs/dbraw/zinc/19/71/84/359197184.db2.gz LSVJMRXALDOGIW-STQMWFEESA-N -1 3 292.379 1.460 20 10 CDCDHM CCN(Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179557978 364993049 /nfs/dbraw/zinc/99/30/49/364993049.db2.gz YXBNCDSUVZSCET-LBPRGKRZSA-N -1 3 269.366 1.401 20 10 CDCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(=O)N1CCCC1 ZINC000281519910 367651234 /nfs/dbraw/zinc/65/12/34/367651234.db2.gz XUXGKHVPITVWBB-JTQLQIEISA-N -1 3 293.323 1.401 20 10 CDCDHM CS(=O)(=O)[C@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000274128776 371188094 /nfs/dbraw/zinc/18/80/94/371188094.db2.gz ORYBQCPJBCDWSH-LBPRGKRZSA-N -1 3 287.356 1.540 20 10 CDCDHM Cc1ccc(C(=O)NCc2nnc(C(C)C)[nH]2)c([O-])c1O ZINC000295964937 371539786 /nfs/dbraw/zinc/53/97/86/371539786.db2.gz ITAQJAHPBIHFRD-UHFFFAOYSA-N -1 3 290.323 1.578 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)CCCCO)c([O-])c1O ZINC000296418681 378730778 /nfs/dbraw/zinc/73/07/78/378730778.db2.gz XTQSBPXXEGOQHR-JTQLQIEISA-N -1 3 267.325 1.687 20 10 CDCDHM COc1cc(Cl)cc(CN2CCNC(=O)[C@H]2C)c1[O-] ZINC000184684923 262026142 /nfs/dbraw/zinc/02/61/42/262026142.db2.gz WOTPPXPPVZFCQQ-MRVPVSSYSA-N -1 3 284.743 1.375 20 10 CDCDHM Cc1ccc(C(=O)NCCCCCCO)c([O-])c1O ZINC000182990433 391248362 /nfs/dbraw/zinc/24/83/62/391248362.db2.gz GTZHMAOIVBPAPA-UHFFFAOYSA-N -1 3 267.325 1.689 20 10 CDCDHM Cc1ccc(C(=O)NC(C)(C)CCO)c([O-])c1O ZINC000182948985 261957073 /nfs/dbraw/zinc/95/70/73/261957073.db2.gz DRSNKCODYPJBDL-UHFFFAOYSA-N -1 3 253.298 1.297 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCCC2(C1)OCCO2 ZINC000184722034 262027174 /nfs/dbraw/zinc/02/71/74/262027174.db2.gz GXWQSKIRQHVDRP-UHFFFAOYSA-N -1 3 267.300 1.870 20 10 CDCDHM C[C@H]1C(=O)NCCN1Cc1cc(Br)ccc1[O-] ZINC000123386311 278320117 /nfs/dbraw/zinc/32/01/17/278320117.db2.gz INPBEMDCLDHEEJ-QMMMGPOBSA-N -1 3 299.168 1.475 20 10 CDCDHM [O-]c1ccccc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000179585827 329210158 /nfs/dbraw/zinc/21/01/58/329210158.db2.gz IAOCGWJPJLYFRL-GJZGRUSLSA-N -1 3 263.337 1.772 20 10 CDCDHM CCCOc1ccc(CN[C@H](C(=O)OC)[C@H](C)O)c([O-])c1 ZINC000276510758 520371101 /nfs/dbraw/zinc/37/11/01/520371101.db2.gz TWHKIVLEMFHNMU-HZMBPMFUSA-N -1 3 297.351 1.193 20 10 CDCDHM CCOC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000280376078 520966190 /nfs/dbraw/zinc/96/61/90/520966190.db2.gz DYYCEWNIMYALPA-SECBINFHSA-N -1 3 294.307 1.058 20 10 CDCDHM COc1c([O-])c(CN2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000278245134 521874117 /nfs/dbraw/zinc/87/41/17/521874117.db2.gz OOVGMOQJANGFHY-VIFPVBQESA-N -1 3 282.296 1.123 20 10 CDCDHM COC1(C)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000279773338 522570354 /nfs/dbraw/zinc/57/03/54/522570354.db2.gz GNWXYSKYKBYMQO-UHFFFAOYSA-N -1 3 265.309 1.739 20 10 CDCDHM CN(CCNC(=O)c1cccc(O)c1[O-])CC(F)(F)F ZINC000279287381 522859886 /nfs/dbraw/zinc/85/98/86/522859886.db2.gz MAKVRXRQEMKETQ-UHFFFAOYSA-N -1 3 292.257 1.322 20 10 CDCDHM C[C@@H]1C[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000049249456 525314658 /nfs/dbraw/zinc/31/46/58/525314658.db2.gz PWTMHOWATNMLRC-RKDXNWHRSA-N -1 3 298.364 1.150 20 10 CDCDHM O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(O)c1[O-] ZINC000249511949 527067824 /nfs/dbraw/zinc/06/78/24/527067824.db2.gz NXIFZDBIOKELDO-KYZUINATSA-N -1 3 251.282 1.131 20 10 CDCDHM Cc1ccc(C[NH2+]C2(CC(=O)[O-])CCOCC2)c([O-])c1 ZINC001600418814 1174470571 /nfs/dbraw/zinc/47/05/71/1174470571.db2.gz NBNQPYSIOBYUHZ-UHFFFAOYSA-N -1 3 279.336 1.814 20 10 CDCDHM Cc1cccc(O)c1CN1CCO[C@@H](CC(=O)[O-])C1 ZINC001600543434 1174500247 /nfs/dbraw/zinc/50/02/47/1174500247.db2.gz WKQDDHUVPSUVAX-NSHDSACASA-N -1 3 265.309 1.376 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCN([C@H]2CCOC2)CC1 ZINC000771030923 575533838 /nfs/dbraw/zinc/53/38/38/575533838.db2.gz GDPBRUZYYBOEGV-JTQLQIEISA-N -1 3 282.365 1.000 20 10 CDCDHM O=C(NCCCn1cccn1)c1cc([O-])cs1 ZINC000732268575 575084864 /nfs/dbraw/zinc/08/48/64/575084864.db2.gz ILOAHGSCFXNKBQ-UHFFFAOYSA-N -1 3 251.311 1.470 20 10 CDCDHM O=C(NCCc1cn2c(n1)CCCC2)c1cc([O-])cs1 ZINC000732267559 575084889 /nfs/dbraw/zinc/08/48/89/575084889.db2.gz KMIZECSKZAYKFT-UHFFFAOYSA-N -1 3 291.376 1.959 20 10 CDCDHM O=C(NCCCNc1ncccn1)c1cc([O-])cs1 ZINC000732272728 575085415 /nfs/dbraw/zinc/08/54/15/575085415.db2.gz OPDLLYRWOFKZSB-UHFFFAOYSA-N -1 3 278.337 1.476 20 10 CDCDHM O=C(NCCNC(=O)c1cc([O-])cs1)c1cccs1 ZINC000732272852 575085454 /nfs/dbraw/zinc/08/54/54/575085454.db2.gz PIYKKOIPKSLFLH-UHFFFAOYSA-N -1 3 296.373 1.675 20 10 CDCDHM CC(C)CN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732257011 575086035 /nfs/dbraw/zinc/08/60/35/575086035.db2.gz BBALZUYEMCEBEE-UHFFFAOYSA-N -1 3 268.382 1.868 20 10 CDCDHM COCC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732835314 575097816 /nfs/dbraw/zinc/09/78/16/575097816.db2.gz XQLNKRHCHLRRDT-UHFFFAOYSA-N -1 3 255.339 1.952 20 10 CDCDHM C[C@H]([C@H](C)N(C)C(=O)c1cc([O-])cs1)S(C)(=O)=O ZINC000733366295 575116634 /nfs/dbraw/zinc/11/66/34/575116634.db2.gz PYCFSEMJEGZHAH-JGVFFNPUSA-N -1 3 291.394 1.347 20 10 CDCDHM CO[C@@H](CNC(=O)c1cc([O-])cs1)C(F)(F)F ZINC000733367380 575116898 /nfs/dbraw/zinc/11/68/98/575116898.db2.gz LGRRORPBAFFKCX-ZETCQYMHSA-N -1 3 269.244 1.761 20 10 CDCDHM COc1c([O-])c(CN2CCCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774904257 575249821 /nfs/dbraw/zinc/24/98/21/575249821.db2.gz FGCJTDWHFDMKDQ-JTQLQIEISA-N -1 3 296.323 1.920 20 10 CDCDHM CCc1[nH]n(C)c2nnc(NC(=O)c3cc([O-])cs3)c1-2 ZINC000734558837 575359045 /nfs/dbraw/zinc/35/90/45/575359045.db2.gz YLQVVEMCSOXKFK-UHFFFAOYSA-N -1 3 291.336 1.878 20 10 CDCDHM CC[C@](C)(CC(=O)OC)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770503560 575457021 /nfs/dbraw/zinc/45/70/21/575457021.db2.gz RWHJFBFBFUEVGD-OAHLLOKOSA-N -1 3 295.335 1.868 20 10 CDCDHM COc1ccc(O)c(CNC(=O)c2csc(=O)[n-]2)c1 ZINC000771624343 575597949 /nfs/dbraw/zinc/59/79/49/575597949.db2.gz ANOJWULRJQIMPM-UHFFFAOYSA-N -1 3 280.305 1.493 20 10 CDCDHM COc1cccc([O-])c1CN1CCN(C(C)=O)CC1 ZINC000768137006 576260013 /nfs/dbraw/zinc/26/00/13/576260013.db2.gz KDQCJEBCFVHVKQ-UHFFFAOYSA-N -1 3 264.325 1.065 20 10 CDCDHM CCOc1ccc(CN2CCN3C(=O)CC[C@@H]3C2)c([O-])c1 ZINC000769206534 576337366 /nfs/dbraw/zinc/33/73/66/576337366.db2.gz OZQXNXILVQXDIX-CYBMUJFWSA-N -1 3 290.363 1.598 20 10 CDCDHM CCOc1ccc(CN2CCOC[C@H]2C(=O)OC)c([O-])c1 ZINC000769398086 576351854 /nfs/dbraw/zinc/35/18/54/576351854.db2.gz FSOKEPCNNQLTAO-ZDUSSCGKSA-N -1 3 295.335 1.165 20 10 CDCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC(O)C1 ZINC000761221221 576560803 /nfs/dbraw/zinc/56/08/03/576560803.db2.gz BXRGWRAZZFPFTJ-UHFFFAOYSA-N -1 3 286.715 1.909 20 10 CDCDHM CC(C)OC[C@@H](CO)N(C)C(=O)c1cc([O-])cs1 ZINC000762920984 576692673 /nfs/dbraw/zinc/69/26/73/576692673.db2.gz OELYVNZNJYADLM-SECBINFHSA-N -1 3 273.354 1.312 20 10 CDCDHM O=C1CCCN1[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894545976 618954715 /nfs/dbraw/zinc/95/47/15/618954715.db2.gz ZEKPSQNAARRXJA-LBPRGKRZSA-N -1 3 296.317 1.867 20 10 CDCDHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1Cc2cccc(O)c2C1 ZINC001607001710 1164056635 /nfs/dbraw/zinc/05/66/35/1164056635.db2.gz YDCFSRUTLBUJRE-UHFFFAOYSA-N -1 3 296.290 1.056 20 10 CDCDHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1Cc2cccc(O)c2C1 ZINC001607001710 1164056640 /nfs/dbraw/zinc/05/66/40/1164056640.db2.gz YDCFSRUTLBUJRE-UHFFFAOYSA-N -1 3 296.290 1.056 20 10 CDCDHM C[C@H]([NH2+]C[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589965878 1173216064 /nfs/dbraw/zinc/21/60/64/1173216064.db2.gz RHNOSOBPHTUEEI-VHSXEESVSA-N -1 3 289.339 1.402 20 10 CDCDHM C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978356 1173219827 /nfs/dbraw/zinc/21/98/27/1173219827.db2.gz OEGZTOWGBOFIDS-UINNMSKDSA-N -1 3 289.339 1.136 20 10 CDCDHM C[C@H]([NH2+]Cc1ccnn1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603670392 1175592746 /nfs/dbraw/zinc/59/27/46/1175592746.db2.gz GSFSAERXCOBZBT-VIFPVBQESA-N -1 3 299.338 1.157 20 10 CDCDHM CC[C@@H]([NH2+]CCCOC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054275 1175736237 /nfs/dbraw/zinc/73/62/37/1175736237.db2.gz HKLORELRUMOCCN-GFCCVEGCSA-N -1 3 291.355 1.650 20 10 CDCDHM CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790933735 751367167 /nfs/dbraw/zinc/36/71/67/751367167.db2.gz XYGJNPLKLPKOBK-ZYHUDNBSSA-N -1 3 281.308 1.022 20 10 CDCDHM CCN(CC(=O)N(C)C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050149357 749418277 /nfs/dbraw/zinc/41/82/77/749418277.db2.gz HMBMMIHPXRRLLY-UHFFFAOYSA-N -1 3 296.342 1.644 20 10 CDCDHM CON(C)C(=O)[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000858322709 749687990 /nfs/dbraw/zinc/68/79/90/749687990.db2.gz GJSZGKCMPPVVOK-SSDOTTSWSA-N -1 3 290.722 1.683 20 10 CDCDHM Cc1cc(CNCc2cc(F)cc(F)c2[O-])[nH]n1 ZINC000716450297 749763672 /nfs/dbraw/zinc/76/36/72/749763672.db2.gz GPYHGQXAHIVJNC-UHFFFAOYSA-N -1 3 253.252 1.992 20 10 CDCDHM O=C(NCCCOC[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000776349397 749801919 /nfs/dbraw/zinc/80/19/19/749801919.db2.gz CSMMSRZIILDXKR-LLVKDONJSA-N -1 3 295.335 1.271 20 10 CDCDHM CON(C)C(=O)[C@@H](C)N[C@@H](C)c1c([O-])cccc1F ZINC000886644828 750038274 /nfs/dbraw/zinc/03/82/74/750038274.db2.gz LNOCEYWDLXIVHH-DTWKUNHWSA-N -1 3 270.304 1.590 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC(O)(C(C)C)C2)c1[O-] ZINC000384067390 750991218 /nfs/dbraw/zinc/99/12/18/750991218.db2.gz SCPDESMADQISMX-UHFFFAOYSA-N -1 3 281.327 1.937 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H](CO)CC(C)(C)C ZINC000836972005 751155792 /nfs/dbraw/zinc/15/57/92/751155792.db2.gz MXVAEAQJCHNGPR-SNVBAGLBSA-N -1 3 281.352 1.967 20 10 CDCDHM Cc1ccc(C(=O)Nc2cccc3c2CNC3=O)c([O-])c1O ZINC000805240143 751317068 /nfs/dbraw/zinc/31/70/68/751317068.db2.gz ZKKLBNGRQCEJBT-UHFFFAOYSA-N -1 3 298.298 1.902 20 10 CDCDHM C[C@H]1CCCN1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000830184473 752769889 /nfs/dbraw/zinc/76/98/89/752769889.db2.gz HWDOUOCUMAHEGY-ZETCQYMHSA-N -1 3 292.307 1.811 20 10 CDCDHM CN(C)c1ccc(CN(C)C(=O)c2cc(=O)[n-]cn2)cc1 ZINC000858199508 753692442 /nfs/dbraw/zinc/69/24/42/753692442.db2.gz LBBKKJWIVGIQRB-UHFFFAOYSA-N -1 3 286.335 1.520 20 10 CDCDHM C[C@]1(CO)CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140582873 896960944 /nfs/dbraw/zinc/96/09/44/896960944.db2.gz OINQBCXJHBYJPP-ZDUSSCGKSA-N -1 3 257.280 1.875 20 10 CDCDHM CC(=O)N1CCN(Cc2cccc(F)c2[O-])C[C@H]1C ZINC001138129672 936476077 /nfs/dbraw/zinc/47/60/77/936476077.db2.gz QFYHKRLKDVUASR-SNVBAGLBSA-N -1 3 266.316 1.584 20 10 CDCDHM O=CN1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000827872279 936611689 /nfs/dbraw/zinc/61/16/89/936611689.db2.gz TUASTJCNLDRZOR-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM COC(=O)[C@@H]1CN(C)CCN1Cc1c([O-])cccc1Cl ZINC001140342802 936704055 /nfs/dbraw/zinc/70/40/55/936704055.db2.gz YXBSAIBJKARBQN-LBPRGKRZSA-N -1 3 298.770 1.335 20 10 CDCDHM CC(C)NC(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840891364 936967027 /nfs/dbraw/zinc/96/70/27/936967027.db2.gz RIVGXKYTKDFFMD-UWVGGRQHSA-N -1 3 295.339 1.864 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CCN2CCOC[C@@H]2C1 ZINC001142508633 937024540 /nfs/dbraw/zinc/02/45/40/937024540.db2.gz FZMIRGJFHOJYQK-NSHDSACASA-N -1 3 284.306 1.187 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](CCO)CC1 ZINC000817698962 930579715 /nfs/dbraw/zinc/57/97/15/930579715.db2.gz XZGBUAFYBFHRSP-NSHDSACASA-N -1 3 279.336 1.723 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001148212117 932668068 /nfs/dbraw/zinc/66/80/68/932668068.db2.gz NBHMXTFTYHPMCZ-HGNGGELXSA-N -1 3 251.257 1.528 20 10 CDCDHM C[C@@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]12 ZINC001148219165 932670597 /nfs/dbraw/zinc/67/05/97/932670597.db2.gz VKTKZDXXPLITID-HLUHBDAQSA-N -1 3 263.293 1.205 20 10 CDCDHM O=C(NCCn1nnc2ccccc21)c1cccc(O)c1[O-] ZINC001148220001 932671652 /nfs/dbraw/zinc/67/16/52/932671652.db2.gz KBXCOMZXFWAVJW-UHFFFAOYSA-N -1 3 298.302 1.273 20 10 CDCDHM CC1(C)C[C@H](CNC(=O)c2cc(O)c([O-])c(O)c2)CCO1 ZINC001148590437 932753899 /nfs/dbraw/zinc/75/38/99/932753899.db2.gz KANOZFVYXUKPDL-SECBINFHSA-N -1 3 295.335 1.738 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CC(N2CC(F)C2)C1 ZINC001203648836 939699642 /nfs/dbraw/zinc/69/96/42/939699642.db2.gz WTFDHQDEGXZSMO-UHFFFAOYSA-N -1 3 270.735 1.884 20 10 CDCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](C)CO1 ZINC000403828489 940936225 /nfs/dbraw/zinc/93/62/25/940936225.db2.gz AGAORSDLGHRMAV-ZJUUUORDSA-N -1 3 265.309 1.737 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC001231448484 942894365 /nfs/dbraw/zinc/89/43/65/942894365.db2.gz GCDURNOUQASNEH-SNVBAGLBSA-N -1 3 265.309 1.295 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC001231448484 942894367 /nfs/dbraw/zinc/89/43/67/942894367.db2.gz GCDURNOUQASNEH-SNVBAGLBSA-N -1 3 265.309 1.295 20 10 CDCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC2)OCCO3)c([O-])c1 ZINC001231449693 942895131 /nfs/dbraw/zinc/89/51/31/942895131.db2.gz MAMIDPVILKQKPG-UHFFFAOYSA-N -1 3 293.319 1.429 20 10 CDCDHM CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452405 942897109 /nfs/dbraw/zinc/89/71/09/942897109.db2.gz OOVXQQLPADJSNF-ZDUSSCGKSA-N -1 3 278.352 1.616 20 10 CDCDHM CN(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452405 942897111 /nfs/dbraw/zinc/89/71/11/942897111.db2.gz OOVXQQLPADJSNF-ZDUSSCGKSA-N -1 3 278.352 1.616 20 10 CDCDHM C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455866 942898357 /nfs/dbraw/zinc/89/83/57/942898357.db2.gz VRHLMBXDRHOLNB-CABZTGNLSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455866 942898361 /nfs/dbraw/zinc/89/83/61/942898361.db2.gz VRHLMBXDRHOLNB-CABZTGNLSA-N -1 3 265.309 1.436 20 10 CDCDHM C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1[O-] ZINC001231883155 943038543 /nfs/dbraw/zinc/03/85/43/943038543.db2.gz ZXXISALCDIHHJD-LLVKDONJSA-N -1 3 270.332 1.866 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001231909344 943052946 /nfs/dbraw/zinc/05/29/46/943052946.db2.gz JZPZCKMVWZOGCV-GHMZBOCLSA-N -1 3 259.708 1.950 20 10 CDCDHM CO[C@@H]1CN(Cc2c([O-])ccc(F)c2F)C[C@@H]1OC ZINC001233332098 943545145 /nfs/dbraw/zinc/54/51/45/943545145.db2.gz YPHLANAKXCTJPN-TXEJJXNPSA-N -1 3 273.279 1.516 20 10 CDCDHM CN(CCC1OCCO1)Cc1c([O-])ccc(F)c1F ZINC001233335395 943548137 /nfs/dbraw/zinc/54/81/37/943548137.db2.gz SUYGZLDTLWSLCV-UHFFFAOYSA-N -1 3 273.279 1.865 20 10 CDCDHM COc1ccc(CN2CCN3CC[C@H]3C2)c([O-])c1Cl ZINC001236819468 944580609 /nfs/dbraw/zinc/58/06/09/944580609.db2.gz VKJUVFUSUNHZPW-NSHDSACASA-N -1 3 282.771 1.944 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2NC(=O)C[C@@H]2C)c1[O-] ZINC001307825733 956442224 /nfs/dbraw/zinc/44/22/24/956442224.db2.gz BJSNRDWQJGUBDO-ZETCQYMHSA-N -1 3 266.272 1.359 20 10 CDCDHM C[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC001308745336 956571938 /nfs/dbraw/zinc/57/19/38/956571938.db2.gz VMVXUOPKNULJHK-GZMMTYOYSA-N -1 3 257.280 1.873 20 10 CDCDHM COC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599276594 996814041 /nfs/dbraw/zinc/81/40/41/996814041.db2.gz AJVGUJUHGRAMPK-IUCAKERBSA-N -1 3 253.298 1.776 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1O ZINC000179544539 357211196 /nfs/dbraw/zinc/21/11/96/357211196.db2.gz IGEILQBTDQDMSU-IEBDPFPHSA-N -1 3 263.293 1.456 20 10 CDCDHM CCNC(=O)CN(CC)Cc1cc(F)ccc1[O-] ZINC000179887280 357228121 /nfs/dbraw/zinc/22/81/21/357228121.db2.gz PODSMMXPXWZEHE-UHFFFAOYSA-N -1 3 254.305 1.489 20 10 CDCDHM COc1cc(Cl)cc(CN2CCOCC2)c1[O-] ZINC000184669790 357492516 /nfs/dbraw/zinc/49/25/16/357492516.db2.gz NPYZQMFEJUHBRX-UHFFFAOYSA-N -1 3 257.717 1.886 20 10 CDCDHM COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000267634548 363863753 /nfs/dbraw/zinc/86/37/53/363863753.db2.gz XWZMGUBPOITTDF-SNVBAGLBSA-N -1 3 281.308 1.334 20 10 CDCDHM CC(=O)N1CCN(Cc2cc(F)ccc2[O-])[C@@H](C)C1 ZINC000272342278 365198318 /nfs/dbraw/zinc/19/83/18/365198318.db2.gz YYHUWAHLSFVFSK-JTQLQIEISA-N -1 3 266.316 1.584 20 10 CDCDHM C[C@@H](NCc1c([O-])cccc1Cl)C(=O)NCCF ZINC000282734153 368013226 /nfs/dbraw/zinc/01/32/26/368013226.db2.gz RDIZHVAIYZETTK-MRVPVSSYSA-N -1 3 274.723 1.609 20 10 CDCDHM Cc1ccc(C(=O)NCC23CC(C2)CO3)c([O-])c1O ZINC000529872219 368096066 /nfs/dbraw/zinc/09/60/66/368096066.db2.gz SYDCPYSZHFTGJE-UHFFFAOYSA-N -1 3 263.293 1.315 20 10 CDCDHM O=C(Nc1nncn1C1CC1)c1cccc(O)c1[O-] ZINC000285947143 368676663 /nfs/dbraw/zinc/67/66/63/368676663.db2.gz VDFYJCDJUNXVHR-UHFFFAOYSA-N -1 3 260.253 1.277 20 10 CDCDHM NC(=O)CC1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000297379533 371986029 /nfs/dbraw/zinc/98/60/29/371986029.db2.gz JICQYYSLKATCHK-UHFFFAOYSA-N -1 3 299.168 1.462 20 10 CDCDHM COCC1(NC(=O)c2cccc(O)c2[O-])CCC1 ZINC000285700709 377787939 /nfs/dbraw/zinc/78/79/39/377787939.db2.gz BVFYFHOOJVRYKA-UHFFFAOYSA-N -1 3 251.282 1.397 20 10 CDCDHM Cc1ccc(C(=O)NC[C@]2(O)CCC[C@@H]2C)c([O-])c1O ZINC000294324085 378630679 /nfs/dbraw/zinc/63/06/79/378630679.db2.gz PMKBVEPERFGZEB-ZUZCIYMTSA-N -1 3 279.336 1.687 20 10 CDCDHM Cc1ccc(C(=O)NCCCC(=O)NC2CC2)c([O-])c1O ZINC000182074838 391230406 /nfs/dbraw/zinc/23/04/06/391230406.db2.gz KQUWONKDDJDGII-UHFFFAOYSA-N -1 3 292.335 1.195 20 10 CDCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CCCO1 ZINC000311924419 262344434 /nfs/dbraw/zinc/34/44/34/262344434.db2.gz SXGBYRDEOOXCLP-UHFFFAOYSA-N -1 3 265.309 1.739 20 10 CDCDHM C[C@@H]([NH2+]CCOCCF)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964103 1173212631 /nfs/dbraw/zinc/21/26/31/1173212631.db2.gz QRBNUHYIXXBKTD-SECBINFHSA-N -1 3 295.318 1.209 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC(=O)N1 ZINC000294910437 328283774 /nfs/dbraw/zinc/28/37/74/328283774.db2.gz DYHMTRUSJMAJFK-MRVPVSSYSA-N -1 3 254.717 1.366 20 10 CDCDHM O=C1OC[C@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC000378344836 329046928 /nfs/dbraw/zinc/04/69/28/329046928.db2.gz DAMYFQIKNKKCHG-LLVKDONJSA-N -1 3 282.727 1.682 20 10 CDCDHM COC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000189561621 329383293 /nfs/dbraw/zinc/38/32/93/329383293.db2.gz NTFITJPJWTZRCD-UHFFFAOYSA-N -1 3 251.282 1.397 20 10 CDCDHM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cccc(O)c1[O-] ZINC000229416892 333304924 /nfs/dbraw/zinc/30/49/24/333304924.db2.gz REVMKEFHJHHDQJ-MFKMUULPSA-N -1 3 263.293 1.395 20 10 CDCDHM CO[C@@]1(C)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000230268829 333316089 /nfs/dbraw/zinc/31/60/89/333316089.db2.gz OEEDGSCHICTOCF-AWEZNQCLSA-N -1 3 265.309 1.739 20 10 CDCDHM CCCNC(=O)CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000062745914 519880082 /nfs/dbraw/zinc/88/00/82/519880082.db2.gz LTJAKRMAIJNQGO-VIFPVBQESA-N -1 3 254.305 1.708 20 10 CDCDHM CCOC(=O)CCCNC(=O)c1cccc(O)c1[O-] ZINC000126445204 520657939 /nfs/dbraw/zinc/65/79/39/520657939.db2.gz HCNJCRSICXUPRR-UHFFFAOYSA-N -1 3 267.281 1.171 20 10 CDCDHM COC(=O)CCN(CC(C)C)C(=O)c1cccc(O)c1[O-] ZINC000274922924 523067060 /nfs/dbraw/zinc/06/70/60/523067060.db2.gz BMAJYMDAVRYYCK-UHFFFAOYSA-N -1 3 295.335 1.759 20 10 CDCDHM COCCOC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000275084303 523973694 /nfs/dbraw/zinc/97/36/94/523973694.db2.gz FMQRZRCOJLSKCL-UHFFFAOYSA-N -1 3 295.335 1.365 20 10 CDCDHM CS(=O)(=O)C[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000292863974 525137766 /nfs/dbraw/zinc/13/77/66/525137766.db2.gz VPYRBCMWRUICGH-SNVBAGLBSA-N -1 3 287.356 1.398 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)c([O-])c1O ZINC000277458626 526122603 /nfs/dbraw/zinc/12/26/03/526122603.db2.gz GIHURRNAGABGGL-CFMSYZGJSA-N -1 3 297.376 1.389 20 10 CDCDHM O=C(NC[C@H](O)Cc1ccccc1)c1cc([O-])cs1 ZINC000732287514 575087045 /nfs/dbraw/zinc/08/70/45/575087045.db2.gz WCEHOMVXMZPKAU-LLVKDONJSA-N -1 3 277.345 1.787 20 10 CDCDHM CCN(CC)C(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353182 575088152 /nfs/dbraw/zinc/08/81/52/575088152.db2.gz NHZLPBQOVSDYDY-QMMMGPOBSA-N -1 3 271.338 1.867 20 10 CDCDHM O=C1CN(Cc2ccccc2)[C@@H](c2cccc(O)c2[O-])N1 ZINC000732818786 575097430 /nfs/dbraw/zinc/09/74/30/575097430.db2.gz IMXDHORNBAAWQK-INIZCTEOSA-N -1 3 284.315 1.728 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCn3ncnc3C2)c1[O-] ZINC000770663454 575482851 /nfs/dbraw/zinc/48/28/51/575482851.db2.gz FBFRTROYTIDPRO-UHFFFAOYSA-N -1 3 278.743 1.961 20 10 CDCDHM O=C(NCCc1cscn1)c1cc([O-])cs1 ZINC000736673407 575716463 /nfs/dbraw/zinc/71/64/63/575716463.db2.gz JLIAZUCAXKDEHJ-UHFFFAOYSA-N -1 3 254.336 1.883 20 10 CDCDHM C[C@@H]1[C@H](C)N(C(=O)c2cc([O-])cs2)CCS1(=O)=O ZINC000736710371 575726546 /nfs/dbraw/zinc/72/65/46/575726546.db2.gz OUELCSHLJOURLV-JGVFFNPUSA-N -1 3 289.378 1.101 20 10 CDCDHM Cc1noc(C2CN(C(=O)c3cc([O-])cs3)C2)n1 ZINC000765926606 576063078 /nfs/dbraw/zinc/06/30/78/576063078.db2.gz IHCUOIKMYRQMIO-UHFFFAOYSA-N -1 3 265.294 1.385 20 10 CDCDHM O=C(NCCS(=O)(=O)CC1CC1)c1cc([O-])cs1 ZINC000768288800 576268814 /nfs/dbraw/zinc/26/88/14/576268814.db2.gz MEAOQDKDBJHQIG-UHFFFAOYSA-N -1 3 289.378 1.008 20 10 CDCDHM CCOc1ccc(CN2CCNC(=O)[C@H]2C)c([O-])c1 ZINC000769191670 576336957 /nfs/dbraw/zinc/33/69/57/576336957.db2.gz AWDCSQFLOPFYEA-SNVBAGLBSA-N -1 3 264.325 1.111 20 10 CDCDHM Cc1nnc([C@@H](C)NC(=O)c2cc([O-])cs2)o1 ZINC000769213152 576337722 /nfs/dbraw/zinc/33/77/22/576337722.db2.gz UPHKNQMILFFTNJ-RXMQYKEDSA-N -1 3 253.283 1.636 20 10 CDCDHM C[C@@H](O)CC(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000743575042 576645581 /nfs/dbraw/zinc/64/55/81/576645581.db2.gz LZFHVAPPVJVENT-MRVPVSSYSA-N -1 3 257.355 1.981 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756354757 576987082 /nfs/dbraw/zinc/98/70/82/576987082.db2.gz COUXQMLLJNZGBC-SFYZADRCSA-N -1 3 272.295 1.846 20 10 CDCDHM O=C([O-])CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCO1 ZINC001602006509 1175110115 /nfs/dbraw/zinc/11/01/15/1175110115.db2.gz FEKFKICEAJUQHQ-ZDUSSCGKSA-N -1 3 297.326 1.987 20 10 CDCDHM O=C([O-])CC[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCO1 ZINC001602006509 1175110121 /nfs/dbraw/zinc/11/01/21/1175110121.db2.gz FEKFKICEAJUQHQ-ZDUSSCGKSA-N -1 3 297.326 1.987 20 10 CDCDHM O=C(N[C@H]1COC[C@@H]1C1CC1)c1cccc(O)c1[O-] ZINC000891047788 617356333 /nfs/dbraw/zinc/35/63/33/617356333.db2.gz GQRQIZKXWJHMJP-MNOVXSKESA-N -1 3 263.293 1.253 20 10 CDCDHM CO[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@H](C(=O)[O-])C1 ZINC000902031166 618529046 /nfs/dbraw/zinc/52/90/46/618529046.db2.gz HWZQPPAGTINHJM-RYUDHWBXSA-N -1 3 265.309 1.456 20 10 CDCDHM CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H](C(=O)[O-])C1 ZINC000902031166 618529050 /nfs/dbraw/zinc/52/90/50/618529050.db2.gz HWZQPPAGTINHJM-RYUDHWBXSA-N -1 3 265.309 1.456 20 10 CDCDHM CCOC(=O)[C@@H]1CSCN1C(=O)c1cccc(O)c1[O-] ZINC000907903040 627894030 /nfs/dbraw/zinc/89/40/30/627894030.db2.gz QRMYHCKIJMJXMT-VIFPVBQESA-N -1 3 297.332 1.176 20 10 CDCDHM COCCS(=O)(=O)[N-]c1ccc(O)cc1SC ZINC000792702716 1162360109 /nfs/dbraw/zinc/36/01/09/1162360109.db2.gz YBJICBJGXACEST-UHFFFAOYSA-N -1 3 277.367 1.502 20 10 CDCDHM COCC1(C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790425548 1162150105 /nfs/dbraw/zinc/15/01/05/1162150105.db2.gz AQYQHDRSAQHFOF-UHFFFAOYSA-N -1 3 251.282 1.206 20 10 CDCDHM CCn1nncc1CN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001605946785 1163723118 /nfs/dbraw/zinc/72/31/18/1163723118.db2.gz FMBOGZOCVGDCPS-VIFPVBQESA-N -1 3 290.323 1.553 20 10 CDCDHM C[C@@H]([NH2+]CCn1cccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589965597 1173215334 /nfs/dbraw/zinc/21/53/34/1173215334.db2.gz LSBZWJWNPOKCPK-SNVBAGLBSA-N -1 3 299.338 1.120 20 10 CDCDHM O=C([O-])[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC001595197004 1174197720 /nfs/dbraw/zinc/19/77/20/1174197720.db2.gz KKYGMYDNUMYGFQ-TVQRCGJNSA-N -1 3 293.319 1.115 20 10 CDCDHM O=C([O-])[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC001595197004 1174197726 /nfs/dbraw/zinc/19/77/26/1174197726.db2.gz KKYGMYDNUMYGFQ-TVQRCGJNSA-N -1 3 293.319 1.115 20 10 CDCDHM CC(C)OCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603354706 1175546001 /nfs/dbraw/zinc/54/60/01/1175546001.db2.gz WFKXEFOMWCTYOX-JTQLQIEISA-N -1 3 291.355 1.648 20 10 CDCDHM COCC[C@H](CO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610252851 1165274963 /nfs/dbraw/zinc/27/49/63/1165274963.db2.gz IIBNWKMUDWAFCZ-GXSJLCMTSA-N -1 3 283.324 1.138 20 10 CDCDHM Cc1cc(CNC(=O)c2cccc(O)c2[O-])ncn1 ZINC000790903799 753851116 /nfs/dbraw/zinc/85/11/16/753851116.db2.gz BEBCESBJAHDCOB-UHFFFAOYSA-N -1 3 259.265 1.126 20 10 CDCDHM CC[C@H](C)[C@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000790759158 754770230 /nfs/dbraw/zinc/77/02/30/754770230.db2.gz GJSFOIJRESQTSE-LKFCYVNXSA-N -1 3 267.325 1.625 20 10 CDCDHM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(O)c1[O-] ZINC000189921398 754834487 /nfs/dbraw/zinc/83/44/87/754834487.db2.gz LBJTUNHFMAOOGR-UHFFFAOYSA-N -1 3 299.286 1.197 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@H](C)c1c([O-])cccc1F ZINC000886491926 754937077 /nfs/dbraw/zinc/93/70/77/754937077.db2.gz WOZMFMDFCBFKNL-RKDXNWHRSA-N -1 3 254.305 1.707 20 10 CDCDHM Cc1nnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000126561296 755256208 /nfs/dbraw/zinc/25/62/08/755256208.db2.gz NOFJNVMIVLLDIW-UHFFFAOYSA-N -1 3 251.267 1.510 20 10 CDCDHM C[C@@H](CNCc1c([O-])ccc(Cl)c1F)S(C)(=O)=O ZINC000790982701 755444950 /nfs/dbraw/zinc/44/49/50/755444950.db2.gz HCAHLCYOVNMPIB-ZETCQYMHSA-N -1 3 295.763 1.707 20 10 CDCDHM COCCN(C)S(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000821192111 755490289 /nfs/dbraw/zinc/49/02/89/755490289.db2.gz SDPNJZUDHUUQFE-UHFFFAOYSA-N -1 3 294.760 1.281 20 10 CDCDHM O=C(NC[C@@H](O)c1cccc(F)c1)c1cccc(O)c1[O-] ZINC000187025425 755844518 /nfs/dbraw/zinc/84/45/18/755844518.db2.gz BFUIKSUEHBKQOQ-CYBMUJFWSA-N -1 3 291.278 1.700 20 10 CDCDHM C[C@H]1COCCCN1C(=O)c1cccc(O)c1[O-] ZINC000398871910 755925028 /nfs/dbraw/zinc/92/50/28/755925028.db2.gz CNXITBMOQCWHGJ-VIFPVBQESA-N -1 3 251.282 1.349 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])ccc3ccncc32)CC(=O)N1 ZINC000840132398 756765160 /nfs/dbraw/zinc/76/51/60/756765160.db2.gz IDFAMSUUHMFTNP-SNVBAGLBSA-N -1 3 271.320 1.261 20 10 CDCDHM O=C(NCc1ccc(O)c(O)c1)c1ccccc1[O-] ZINC000182549395 756858408 /nfs/dbraw/zinc/85/84/08/756858408.db2.gz GHLCXPOUEYHHAA-UHFFFAOYSA-N -1 3 259.261 1.733 20 10 CDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])c[nH]c1=O ZINC000790905520 756864973 /nfs/dbraw/zinc/86/49/73/756864973.db2.gz PZCSCNZNDHIBCB-UHFFFAOYSA-N -1 3 260.249 1.759 20 10 CDCDHM O=C(NC[C@@H](O)c1ccsc1)c1cccc(O)c1[O-] ZINC000187116197 756883931 /nfs/dbraw/zinc/88/39/31/756883931.db2.gz MNAWAIJPYLWEBC-LLVKDONJSA-N -1 3 279.317 1.623 20 10 CDCDHM Cc1ccc(C(=O)Nc2c(C)ccn(C)c2=O)c([O-])c1O ZINC000182580731 757273581 /nfs/dbraw/zinc/27/35/81/757273581.db2.gz PRMXJRDTZBIZGE-UHFFFAOYSA-N -1 3 288.303 1.666 20 10 CDCDHM Cc1cncc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000193149345 758394518 /nfs/dbraw/zinc/39/45/18/758394518.db2.gz KRQQOCWKYCLBLK-UHFFFAOYSA-N -1 3 258.277 1.731 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@H]3C[C@@]3(CO)C2)c1[O-] ZINC000782626281 758826827 /nfs/dbraw/zinc/82/68/27/758826827.db2.gz ZVKYZWCPMMFPGP-ABAIWWIYSA-N -1 3 279.311 1.548 20 10 CDCDHM COCCN(CCOC)Cc1c([O-])cccc1F ZINC001137831785 936416622 /nfs/dbraw/zinc/41/66/22/936416622.db2.gz NGHCVXGIEYWNJA-UHFFFAOYSA-N -1 3 257.305 1.626 20 10 CDCDHM O=C1CCN(Cc2c([O-])cc(F)cc2F)C[C@H]2CCCN12 ZINC001140585463 936728219 /nfs/dbraw/zinc/72/82/19/936728219.db2.gz JKCSSNFVBHTCGG-LLVKDONJSA-N -1 3 296.317 1.867 20 10 CDCDHM CCN(C)c1ncc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001148212324 932668032 /nfs/dbraw/zinc/66/80/32/932668032.db2.gz XMUKEJKPSFDMBV-UHFFFAOYSA-N -1 3 288.307 1.596 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](F)C(=O)C1 ZINC001148212293 932668532 /nfs/dbraw/zinc/66/85/32/932668532.db2.gz WBDDZPOPACWURI-VIFPVBQESA-N -1 3 267.256 1.241 20 10 CDCDHM CC(=O)N1CCC[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1 ZINC001148218983 932669921 /nfs/dbraw/zinc/66/99/21/932669921.db2.gz QEFXCRGLZAYBFC-NSHDSACASA-N -1 3 292.335 1.181 20 10 CDCDHM N=C(N)N(C(=O)c1cccc(O)c1[O-])c1ccccc1F ZINC001148220050 932671434 /nfs/dbraw/zinc/67/14/34/932671434.db2.gz NLQQBAZMIAQKLR-UHFFFAOYSA-N -1 3 289.266 1.777 20 10 CDCDHM CC(=O)CC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC001148223950 932672610 /nfs/dbraw/zinc/67/26/10/932672610.db2.gz AQZMOMXQWRTRSQ-UHFFFAOYSA-N -1 3 251.282 1.585 20 10 CDCDHM CCC1(O)CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452175 942895792 /nfs/dbraw/zinc/89/57/92/942895792.db2.gz CSJGDZLDAIUMIS-UHFFFAOYSA-N -1 3 279.336 1.827 20 10 CDCDHM [O-]c1cc(O)c(CN2CCN(CCF)CC2)cc1Cl ZINC001232268489 943196650 /nfs/dbraw/zinc/19/66/50/943196650.db2.gz PPSOTMHDXGDRNP-UHFFFAOYSA-N -1 3 288.750 1.838 20 10 CDCDHM CN(C1COC1)C1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232268251 943196700 /nfs/dbraw/zinc/19/67/00/943196700.db2.gz NLVMRQCFITUGRT-UHFFFAOYSA-N -1 3 298.770 1.266 20 10 CDCDHM C[C@@]1(CO)CN(Cc2ccc(F)c(F)c2[O-])CC[C@H]1O ZINC001233076517 943485415 /nfs/dbraw/zinc/48/54/15/943485415.db2.gz PYWDUCLXHNKFBH-RISCZKNCSA-N -1 3 287.306 1.236 20 10 CDCDHM C[C@@]1(CO)CCN(Cc2c([O-])ccc(F)c2F)C[C@H]1O ZINC001233332423 943547050 /nfs/dbraw/zinc/54/70/50/943547050.db2.gz KSZGRGVDLPMEOZ-OCCSQVGLSA-N -1 3 287.306 1.236 20 10 CDCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCO[C@@H](CO)C1 ZINC001233452325 943588176 /nfs/dbraw/zinc/58/81/76/943588176.db2.gz RPELJRUANJEAGK-LLVKDONJSA-N -1 3 291.269 1.604 20 10 CDCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H](O)[C@@H](CO)C1 ZINC001237935188 945011498 /nfs/dbraw/zinc/01/14/98/945011498.db2.gz RAOLDPFPELUUKD-SKDRFNHKSA-N -1 3 289.734 1.360 20 10 CDCDHM COc1cc(C(=O)NCc2c([O-])cccc2F)nn1C ZINC001303875680 956129268 /nfs/dbraw/zinc/12/92/68/956129268.db2.gz MCYAEJRRVJNVJZ-UHFFFAOYSA-N -1 3 279.271 1.203 20 10 CDCDHM O=S1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001308615262 956551759 /nfs/dbraw/zinc/55/17/59/956551759.db2.gz FLMPMOMGARPWGI-UHFFFAOYSA-N -1 3 259.758 1.610 20 10 CDCDHM COc1cc(C)c(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001594054296 958012603 /nfs/dbraw/zinc/01/26/03/958012603.db2.gz UYRYGAHYSZRIFJ-SNVBAGLBSA-N -1 3 265.309 1.616 20 10 CDCDHM COc1cc(C)c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001594054296 958012616 /nfs/dbraw/zinc/01/26/16/958012616.db2.gz UYRYGAHYSZRIFJ-SNVBAGLBSA-N -1 3 265.309 1.616 20 10 CDCDHM Cc1cccc([O-])c1C[NH2+]CC1(C(=O)[O-])CCOCC1 ZINC001594408133 958918838 /nfs/dbraw/zinc/91/88/38/958918838.db2.gz BFFHNBFBKXBULV-UHFFFAOYSA-N -1 3 279.336 1.672 20 10 CDCDHM CC[C@@H](CO)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001597285237 987358007 /nfs/dbraw/zinc/35/80/07/987358007.db2.gz HGOCYYWWIPNMPO-SCZZXKLOSA-N -1 3 253.298 1.512 20 10 CDCDHM CN(C)c1ccc(/C=C/CN[C@H](CF)C(=O)[O-])cc1 ZINC001598314573 991299739 /nfs/dbraw/zinc/29/97/39/991299739.db2.gz YJENBJFHRMSTHI-ITDFMYJTSA-N -1 3 266.316 1.778 20 10 CDCDHM C[C@@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1ccccc1[O-] ZINC001593286902 994649966 /nfs/dbraw/zinc/64/99/66/994649966.db2.gz ZMOBDEAYNMVQBD-SECBINFHSA-N -1 3 276.296 1.033 20 10 CDCDHM CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605111844 1163456164 /nfs/dbraw/zinc/45/61/64/1163456164.db2.gz RZVPWXZILSSTLP-GXSJLCMTSA-N -1 3 267.325 1.902 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCN(C2CC2)CC1 ZINC000179917315 357230994 /nfs/dbraw/zinc/23/09/94/357230994.db2.gz VPRUGPCBQBXEPT-UHFFFAOYSA-N -1 3 250.317 1.811 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCO[C@]2(CCOC2)C1 ZINC000187533357 357776691 /nfs/dbraw/zinc/77/66/91/357776691.db2.gz RBONIYXFROAFEE-CQSZACIVSA-N -1 3 267.300 1.523 20 10 CDCDHM C/C=C/C[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000193167145 358270683 /nfs/dbraw/zinc/27/06/83/358270683.db2.gz GPTBYUQZNORDKQ-GKQMSVHHSA-N -1 3 251.282 1.155 20 10 CDCDHM CCS(=O)(=O)CCNCc1c([O-])cccc1Cl ZINC000113334986 359395310 /nfs/dbraw/zinc/39/53/10/359395310.db2.gz IAQFIXUBKLVTQZ-UHFFFAOYSA-N -1 3 277.773 1.570 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCC[C@@H](n2cncn2)C1 ZINC000272228931 365141667 /nfs/dbraw/zinc/14/16/67/365141667.db2.gz DISCUHMXHDQZHX-GFCCVEGCSA-N -1 3 276.315 1.960 20 10 CDCDHM CCCNC(=O)CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273387143 365491486 /nfs/dbraw/zinc/49/14/86/365491486.db2.gz JWBVUGRSIZPSEC-JTQLQIEISA-N -1 3 294.351 1.356 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC(=O)N[C@@H](C)C2)c1[O-] ZINC000296071913 371407358 /nfs/dbraw/zinc/40/73/58/371407358.db2.gz DNGNTSVTVPOGCX-QMMMGPOBSA-N -1 3 280.299 1.054 20 10 CDCDHM CCn1cnnc1CNCc1c([O-])cccc1Cl ZINC000113322719 390799021 /nfs/dbraw/zinc/79/90/21/390799021.db2.gz WOLIZTMLVLOLMX-UHFFFAOYSA-N -1 3 266.732 1.947 20 10 CDCDHM COc1ccc([O-])c([C@@H](C)[NH2+]CCCC(=O)[O-])c1 ZINC000037418224 173195676 /nfs/dbraw/zinc/19/56/76/173195676.db2.gz SKVFYPAGTMYDDH-SECBINFHSA-N -1 3 253.298 1.916 20 10 CDCDHM COC[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126444440 264219970 /nfs/dbraw/zinc/21/99/70/264219970.db2.gz STXQPIZXTHYJBJ-SECBINFHSA-N -1 3 251.282 1.206 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@H]2CO)c1[O-] ZINC000189698615 264322612 /nfs/dbraw/zinc/32/26/12/264322612.db2.gz ZUWQIEYDXDXMCR-YMTOWFKASA-N -1 3 281.327 1.937 20 10 CDCDHM Cc1ccc(C(=O)N2CCOC[C@]23CCOC3)c([O-])c1O ZINC000282348720 301510558 /nfs/dbraw/zinc/51/05/58/301510558.db2.gz YASSCTMJGLEKPU-OAHLLOKOSA-N -1 3 293.319 1.038 20 10 CDCDHM [O-]c1ccccc1CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377698887 329025685 /nfs/dbraw/zinc/02/56/85/329025685.db2.gz MXCOFCSOJJRKHZ-ZFWWWQNUSA-N -1 3 263.337 1.772 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c([O-])c1O ZINC000182841361 329245347 /nfs/dbraw/zinc/24/53/47/329245347.db2.gz SMGFYVXQNSNZBI-UONOGXRCSA-N -1 3 299.326 1.794 20 10 CDCDHM O=C(Nc1cccnc1-n1cccn1)c1cccc(O)c1[O-] ZINC000188161359 329365193 /nfs/dbraw/zinc/36/51/93/329365193.db2.gz VTMIINHKEVEAFZ-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM C[C@]1(O)CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000230355901 333316798 /nfs/dbraw/zinc/31/67/98/333316798.db2.gz UPBCUCPMFQVVER-AWEZNQCLSA-N -1 3 265.309 1.475 20 10 CDCDHM CCN(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278242727 521121075 /nfs/dbraw/zinc/12/10/75/521121075.db2.gz NZJPZXYXBAEROF-UHFFFAOYSA-N -1 3 270.285 1.123 20 10 CDCDHM CCN(C[C@@H](C)OC)C(=O)c1cccc(O)c1[O-] ZINC000291347013 521214411 /nfs/dbraw/zinc/21/44/11/521214411.db2.gz WSWGCRZOZDBKLN-SECBINFHSA-N -1 3 253.298 1.595 20 10 CDCDHM CCN(C)C(=O)CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000274792966 520175112 /nfs/dbraw/zinc/17/51/12/520175112.db2.gz OPJSQRKUMVBYDT-SNVBAGLBSA-N -1 3 294.351 1.308 20 10 CDCDHM COC(=O)CCCCCCNC(=O)c1cccc(O)c1[O-] ZINC000274892962 522987575 /nfs/dbraw/zinc/98/75/75/522987575.db2.gz MJJHSKJQGAAZFA-UHFFFAOYSA-N -1 3 295.335 1.951 20 10 CDCDHM CN(Cc1ncnn1CC(F)F)Cc1ccccc1[O-] ZINC000278506953 523609244 /nfs/dbraw/zinc/60/92/44/523609244.db2.gz MGNFLUIVCARSQY-UHFFFAOYSA-N -1 3 282.294 1.881 20 10 CDCDHM COCCN(Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000290328819 523757606 /nfs/dbraw/zinc/75/76/06/523757606.db2.gz DONVHWMFYYYZQY-CYBMUJFWSA-N -1 3 299.392 1.028 20 10 CDCDHM CS(=O)(=O)C[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000292863972 525138993 /nfs/dbraw/zinc/13/89/93/525138993.db2.gz VPYRBCMWRUICGH-JTQLQIEISA-N -1 3 287.356 1.398 20 10 CDCDHM Cc1ccc(C(=O)NCC2=CCCOC2)c([O-])c1O ZINC000292323263 526157895 /nfs/dbraw/zinc/15/78/95/526157895.db2.gz NWVYKWKWDCOOQE-UHFFFAOYSA-N -1 3 263.293 1.483 20 10 CDCDHM CCC(=O)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000366879095 528305609 /nfs/dbraw/zinc/30/56/09/528305609.db2.gz KAQRZJINJNFHQF-UHFFFAOYSA-N -1 3 292.335 1.182 20 10 CDCDHM O=C(NC[C@@H](CO)Cc1ccco1)c1cc([O-])cs1 ZINC000761122758 574933223 /nfs/dbraw/zinc/93/32/23/574933223.db2.gz WYOZOIGCXDXGDA-VIFPVBQESA-N -1 3 281.333 1.628 20 10 CDCDHM CC(C)CNC(=O)COC(=O)c1cc([O-])cs1 ZINC000731909170 575069914 /nfs/dbraw/zinc/06/99/14/575069914.db2.gz BOLHHTBYHQZNID-UHFFFAOYSA-N -1 3 257.311 1.383 20 10 CDCDHM CC(C)N1C(=S)N=NC1CNC(=O)c1cc([O-])cs1 ZINC000732290462 575087344 /nfs/dbraw/zinc/08/73/44/575087344.db2.gz QLIMEIPGTZSXJZ-UHFFFAOYSA-N -1 3 298.393 1.845 20 10 CDCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC[C@H]1CCCO1 ZINC000734190405 575161784 /nfs/dbraw/zinc/16/17/84/575161784.db2.gz WJPBSIGINMNUON-PSASIEDQSA-N -1 3 299.348 1.294 20 10 CDCDHM COc1cccc([O-])c1CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000768520387 576292281 /nfs/dbraw/zinc/29/22/81/576292281.db2.gz LGFGIOLRDHAZIR-CYBMUJFWSA-N -1 3 290.363 1.644 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCN(CCCCO)CC1 ZINC000769395149 576351514 /nfs/dbraw/zinc/35/15/14/576351514.db2.gz NFZRVKLRGFNQMQ-UHFFFAOYSA-N -1 3 298.814 1.936 20 10 CDCDHM COCC1(O)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000760853085 576516393 /nfs/dbraw/zinc/51/63/93/576516393.db2.gz AQUQHFSENHVEDW-UHFFFAOYSA-N -1 3 271.338 1.067 20 10 CDCDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccccc2O)s1 ZINC000763576281 576742481 /nfs/dbraw/zinc/74/24/81/576742481.db2.gz COSDFSBRDJSXIT-UHFFFAOYSA-N -1 3 298.389 1.890 20 10 CDCDHM Cn1cc(C[C@H]2CCN(C(=O)c3cc([O-])cs3)C2)cn1 ZINC000746693310 576789266 /nfs/dbraw/zinc/78/92/66/576789266.db2.gz CSKNJXHWYHFRKZ-SNVBAGLBSA-N -1 3 291.376 1.892 20 10 CDCDHM O=C(OCC[C@H]1CCOC1=O)c1cc([O-])cs1 ZINC000754094209 576879703 /nfs/dbraw/zinc/87/97/03/576879703.db2.gz FKXXISGVCQXTPM-SSDOTTSWSA-N -1 3 256.279 1.564 20 10 CDCDHM NC(=O)[C@@H](Cc1ccccc1)OC(=O)c1cc([O-])cs1 ZINC000754814544 576917172 /nfs/dbraw/zinc/91/71/72/576917172.db2.gz GJNAPKVLBXRBAQ-LLVKDONJSA-N -1 3 291.328 1.707 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)C(=O)N(C)C)c1 ZINC000756739594 577002583 /nfs/dbraw/zinc/00/25/83/577002583.db2.gz PPMFJIXLSAHBNB-VHSXEESVSA-N -1 3 294.351 1.306 20 10 CDCDHM CNC(=O)[C@H](CC(C)C)NC(=O)c1cc([O-])cs1 ZINC000756810774 577005822 /nfs/dbraw/zinc/00/58/22/577005822.db2.gz PTTLOLARCSHLEI-VIFPVBQESA-N -1 3 270.354 1.344 20 10 CDCDHM CCCN(CC(=O)OCC)C(=O)c1cc([O-])cs1 ZINC000757908266 577060112 /nfs/dbraw/zinc/06/01/12/577060112.db2.gz MFDFEFTYMJKGEG-UHFFFAOYSA-N -1 3 271.338 1.869 20 10 CDCDHM O=C([O-])[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000086805222 599956367 /nfs/dbraw/zinc/95/63/67/599956367.db2.gz BOAVLWAMHOOUJC-OAHLLOKOSA-N -1 3 287.315 1.831 20 10 CDCDHM O=C([O-])[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000086805222 599956369 /nfs/dbraw/zinc/95/63/69/599956369.db2.gz BOAVLWAMHOOUJC-OAHLLOKOSA-N -1 3 287.315 1.831 20 10 CDCDHM O=C([O-])[C@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000086805222 599956370 /nfs/dbraw/zinc/95/63/70/599956370.db2.gz BOAVLWAMHOOUJC-OAHLLOKOSA-N -1 3 287.315 1.831 20 10 CDCDHM O=C(CN1CCCC1)NCc1cccc(Cl)c1[O-] ZINC000890760120 617320762 /nfs/dbraw/zinc/32/07/62/617320762.db2.gz IOJCXALPRVZBBU-UHFFFAOYSA-N -1 3 268.744 1.758 20 10 CDCDHM COC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])cn1C ZINC000790873693 768976732 /nfs/dbraw/zinc/97/67/32/768976732.db2.gz ARTNKIHMHUAANJ-UHFFFAOYSA-N -1 3 290.275 1.475 20 10 CDCDHM CN(Cc1cnn(C)c1)C(=O)c1cccc(O)c1[O-] ZINC000126288689 769395311 /nfs/dbraw/zinc/39/53/11/769395311.db2.gz PGWHSVMDGHTCRS-UHFFFAOYSA-N -1 3 261.281 1.104 20 10 CDCDHM O=C(NCc1ccc(O)cc1)c1cccc(O)c1[O-] ZINC000126577679 769442893 /nfs/dbraw/zinc/44/28/93/769442893.db2.gz QDJKUWBRWJZIKS-UHFFFAOYSA-N -1 3 259.261 1.733 20 10 CDCDHM C[C@@H]1C(=O)NCCN1Cc1ccc(Br)cc1[O-] ZINC000824645923 769818000 /nfs/dbraw/zinc/81/80/00/769818000.db2.gz TVWNTKLYNPZROC-MRVPVSSYSA-N -1 3 299.168 1.475 20 10 CDCDHM CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790589969 770050689 /nfs/dbraw/zinc/05/06/89/770050689.db2.gz LUTOUKCVRYWOMG-LLVKDONJSA-N -1 3 292.335 1.086 20 10 CDCDHM CC1(C)CNC(=O)CN1Cc1cc(Cl)ccc1[O-] ZINC000800538811 771256259 /nfs/dbraw/zinc/25/62/59/771256259.db2.gz CJSSDTVMQCIOHS-UHFFFAOYSA-N -1 3 268.744 1.756 20 10 CDCDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(O)c1[O-] ZINC000192991611 771831111 /nfs/dbraw/zinc/83/11/11/771831111.db2.gz FPWMKYLSQDILIC-UHFFFAOYSA-N -1 3 288.259 1.936 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nonc2C)c1 ZINC000872135978 772356583 /nfs/dbraw/zinc/35/65/83/772356583.db2.gz JTOXZEZYKNJNGQ-QMMMGPOBSA-N -1 3 291.307 1.721 20 10 CDCDHM CN1CCC[C@@H](NCc2c([O-])ccc(Cl)c2F)C1=O ZINC000790974405 772380543 /nfs/dbraw/zinc/38/05/43/772380543.db2.gz UEOMPCUMMDFPKT-SNVBAGLBSA-N -1 3 286.734 1.895 20 10 CDCDHM CCOC(=O)C1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000790771431 772447778 /nfs/dbraw/zinc/44/77/78/772447778.db2.gz BVVMFHRFJRZTPP-UHFFFAOYSA-N -1 3 293.319 1.561 20 10 CDCDHM O=C(CCNC(=O)c1cccc(O)c1[O-])N1CCCCC1 ZINC000126537004 772531230 /nfs/dbraw/zinc/53/12/30/772531230.db2.gz IGKBRMISYLEWBZ-UHFFFAOYSA-N -1 3 292.335 1.230 20 10 CDCDHM Cc1cc([O-])c(CN2CCN3C(=O)OC[C@H]3C2)cc1Cl ZINC000824863937 772702785 /nfs/dbraw/zinc/70/27/85/772702785.db2.gz XUYZIWSAOUKXRE-LLVKDONJSA-N -1 3 296.754 1.990 20 10 CDCDHM CN(C)C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000133606448 772777221 /nfs/dbraw/zinc/77/72/21/772777221.db2.gz DCHQZFOUQIEMAW-UHFFFAOYSA-N -1 3 297.786 1.845 20 10 CDCDHM CN(C)C(=O)NCCN(C)Cc1c([O-])cccc1Cl ZINC000779432603 772875353 /nfs/dbraw/zinc/87/53/53/772875353.db2.gz WKCSFWYPMJRYPK-UHFFFAOYSA-N -1 3 285.775 1.749 20 10 CDCDHM COc1ccc(CN=c2ncnc3[nH][n-]cc2-3)c(O)c1 ZINC000794865737 772907161 /nfs/dbraw/zinc/90/71/61/772907161.db2.gz RCDXBKHMDWTMCQ-UHFFFAOYSA-N -1 3 271.280 1.053 20 10 CDCDHM Cc1nc(CC(=O)NCc2cccc(Cl)c2[O-])n[nH]1 ZINC000890761508 773392400 /nfs/dbraw/zinc/39/24/00/773392400.db2.gz UIQDDQMKYYDLMY-UHFFFAOYSA-N -1 3 280.715 1.331 20 10 CDCDHM C[C@H]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000398114417 773445005 /nfs/dbraw/zinc/44/50/05/773445005.db2.gz TYNHPOIZMUUOLQ-IUCAKERBSA-N -1 3 251.282 1.395 20 10 CDCDHM O=C(NCCOC1CCOCC1)c1cccc(O)c1[O-] ZINC000885691194 773487677 /nfs/dbraw/zinc/48/76/77/773487677.db2.gz BJERITLLPGORLZ-UHFFFAOYSA-N -1 3 281.308 1.023 20 10 CDCDHM CCOC(=O)CN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137831815 936417103 /nfs/dbraw/zinc/41/71/03/936417103.db2.gz OQHTVTOOBCEHEY-UHFFFAOYSA-N -1 3 296.342 1.212 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC(C2COC2)C1 ZINC001142508698 937025439 /nfs/dbraw/zinc/02/54/39/937025439.db2.gz IHBGKZBRXODARD-UHFFFAOYSA-N -1 3 255.264 1.749 20 10 CDCDHM Cn1nc2c(c1NC(=O)c1cc(O)c([O-])c(O)c1)CCC2 ZINC001148579998 932749524 /nfs/dbraw/zinc/74/95/24/932749524.db2.gz DHWQOITUJVIWIS-UHFFFAOYSA-N -1 3 289.291 1.278 20 10 CDCDHM Cc1cc(F)ncc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581105 932750711 /nfs/dbraw/zinc/75/07/11/932750711.db2.gz LDYNJNNBIPBCBZ-UHFFFAOYSA-N -1 3 278.239 1.898 20 10 CDCDHM CCOc1cnc(NC(=O)c2cc(O)c([O-])c(O)c2)cn1 ZINC001148582130 932751608 /nfs/dbraw/zinc/75/16/08/932751608.db2.gz XXUORTLBZPOODE-UHFFFAOYSA-N -1 3 291.263 1.244 20 10 CDCDHM O=C(Nc1ccnn1CC1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148581607 932751679 /nfs/dbraw/zinc/75/16/79/932751679.db2.gz QMWAUIHXOFVXQS-UHFFFAOYSA-N -1 3 289.291 1.662 20 10 CDCDHM CN(C(=O)c1cc(O)c([O-])c(O)c1)C1CC(F)(F)C1 ZINC001148582119 932751726 /nfs/dbraw/zinc/75/17/26/932751726.db2.gz XPDHDSRTCNWINS-UHFFFAOYSA-N -1 3 273.235 1.673 20 10 CDCDHM COCC1(NC(=O)c2cc(O)c([O-])c(O)c2)CCC1 ZINC001148589527 932753502 /nfs/dbraw/zinc/75/35/02/932753502.db2.gz AIAQZWJKNVYHGV-UHFFFAOYSA-N -1 3 267.281 1.102 20 10 CDCDHM O=C1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC001203650220 939699636 /nfs/dbraw/zinc/69/96/36/939699636.db2.gz NVLJDISYKGMPLI-UHFFFAOYSA-N -1 3 286.125 1.514 20 10 CDCDHM CN1CCO[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001276470134 939769334 /nfs/dbraw/zinc/76/93/34/939769334.db2.gz JGEAMHLMZKTHPE-AAEUAGOBSA-N -1 3 284.306 1.185 20 10 CDCDHM CC(C)(C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C[C@@H](O)CO ZINC001231560758 942926739 /nfs/dbraw/zinc/92/67/39/942926739.db2.gz LSOJNNABTFYMMH-GFCCVEGCSA-N -1 3 297.351 1.044 20 10 CDCDHM CC(C)(C)[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C[C@@H](O)CO ZINC001231560758 942926741 /nfs/dbraw/zinc/92/67/41/942926741.db2.gz LSOJNNABTFYMMH-GFCCVEGCSA-N -1 3 297.351 1.044 20 10 CDCDHM COc1cc([O-])c(CN2CCn3ncnc3C2)cc1Cl ZINC001232264643 943195215 /nfs/dbraw/zinc/19/52/15/943195215.db2.gz KSKCNAKVEPBQAO-UHFFFAOYSA-N -1 3 294.742 1.662 20 10 CDCDHM COC(=O)CN(C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232268083 943196517 /nfs/dbraw/zinc/19/65/17/943196517.db2.gz LVWKFRPZODSNQH-UHFFFAOYSA-N -1 3 273.716 1.659 20 10 CDCDHM CNC(=O)CN(C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232267165 943197528 /nfs/dbraw/zinc/19/75/28/943197528.db2.gz YOEFLOLZBVBCKM-UHFFFAOYSA-N -1 3 272.732 1.232 20 10 CDCDHM [O-]c1cc(C(F)(F)F)ccc1CN1C[C@@H](O)[C@@H](F)C1 ZINC001233451824 943588253 /nfs/dbraw/zinc/58/82/53/943588253.db2.gz AMDFZVQXFRWACQ-GXSJLCMTSA-N -1 3 279.233 1.926 20 10 CDCDHM Cc1n[nH]c(=O)c(CNC(=O)c2cccc(O)c2[O-])c1C ZINC001256254968 948260521 /nfs/dbraw/zinc/26/05/21/948260521.db2.gz OLLTUHYUMRQCEO-UHFFFAOYSA-N -1 3 289.291 1.140 20 10 CDCDHM CC(=O)c1c[nH]c(C(=O)NCc2c([O-])cccc2F)c1 ZINC001303879276 956129776 /nfs/dbraw/zinc/12/97/76/956129776.db2.gz VVXRLLRRGFCFPH-UHFFFAOYSA-N -1 3 276.267 1.992 20 10 CDCDHM COCCO[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001308688586 956562814 /nfs/dbraw/zinc/56/28/14/956562814.db2.gz JTXFYCUQOIGTHG-NSHDSACASA-N -1 3 287.306 1.908 20 10 CDCDHM COc1cc(Cl)cc(C[N@H+](C)[C@H](C)C(=O)[O-])c1[O-] ZINC000229118419 960059567 /nfs/dbraw/zinc/05/95/67/960059567.db2.gz AYEPMPTXFMMEPH-SSDOTTSWSA-N -1 3 273.716 1.959 20 10 CDCDHM COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1[O-] ZINC000229118419 960059572 /nfs/dbraw/zinc/05/95/72/960059572.db2.gz AYEPMPTXFMMEPH-SSDOTTSWSA-N -1 3 273.716 1.959 20 10 CDCDHM O=C([O-])C[C@@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC001350611260 966711723 /nfs/dbraw/zinc/71/17/23/966711723.db2.gz QTNGZZGBKKQBFB-ZDUSSCGKSA-N -1 3 251.282 1.116 20 10 CDCDHM CC[C@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1ccccc1[O-] ZINC001595298152 980413279 /nfs/dbraw/zinc/41/32/79/980413279.db2.gz AYBKIRBACIVYCZ-NSHDSACASA-N -1 3 290.323 1.423 20 10 CDCDHM C[C@@H]([NH2+][C@@H](CO)CCF)c1cc(C(=O)[O-])ccc1[O-] ZINC001593209509 994239076 /nfs/dbraw/zinc/23/90/76/994239076.db2.gz MLSJYPGZFDEGIV-PSASIEDQSA-N -1 3 271.288 1.462 20 10 CDCDHM CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001598640425 994310415 /nfs/dbraw/zinc/31/04/15/994310415.db2.gz XULYLCCBJHQQKS-IUCAKERBSA-N -1 3 280.324 1.266 20 10 CDCDHM C[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593276125 994630870 /nfs/dbraw/zinc/63/08/70/994630870.db2.gz WXXPNXLEUNFTMT-SECBINFHSA-N -1 3 275.308 1.707 20 10 CDCDHM C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594260679 999005103 /nfs/dbraw/zinc/00/51/03/999005103.db2.gz FHCNICLUHMYTDY-FXPVBKGRSA-N -1 3 265.309 1.918 20 10 CDCDHM CC1(C)C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000180072960 357242465 /nfs/dbraw/zinc/24/24/65/357242465.db2.gz DDXININAQBQYQS-UHFFFAOYSA-N -1 3 252.289 1.242 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(n2ccnc2)CC1 ZINC000187049770 357721417 /nfs/dbraw/zinc/72/14/17/357721417.db2.gz HRUPFVUNTARYNA-UHFFFAOYSA-N -1 3 287.319 1.772 20 10 CDCDHM CC(C)CO[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193133409 358268304 /nfs/dbraw/zinc/26/83/04/358268304.db2.gz YRIKZDYPMOLDQY-LLVKDONJSA-N -1 3 279.336 1.985 20 10 CDCDHM Cc1nnc(CNC(=O)c2cccc(O)c2[O-])n1C1CC1 ZINC000193154190 358270155 /nfs/dbraw/zinc/27/01/55/358270155.db2.gz SWNNHBXTFNZPGM-UHFFFAOYSA-N -1 3 288.307 1.263 20 10 CDCDHM COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC000093441363 360298052 /nfs/dbraw/zinc/29/80/52/360298052.db2.gz UOECOFYSRYGQQA-QWRGUYRKSA-N -1 3 285.727 1.154 20 10 CDCDHM NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000272312767 365185202 /nfs/dbraw/zinc/18/52/02/365185202.db2.gz RVZKXYVLUOUJPE-LLVKDONJSA-N -1 3 252.289 1.371 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCC[C@H](n2cncn2)C1 ZINC000272228934 365141806 /nfs/dbraw/zinc/14/18/06/365141806.db2.gz DISCUHMXHDQZHX-LBPRGKRZSA-N -1 3 276.315 1.960 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000227055807 367381978 /nfs/dbraw/zinc/38/19/78/367381978.db2.gz ZUWQIEYDXDXMCR-XPTSAGLGSA-N -1 3 281.327 1.937 20 10 CDCDHM CCC(CC)(CCO)NC(=O)c1cccc(O)c1[O-] ZINC000282629583 367966914 /nfs/dbraw/zinc/96/69/14/367966914.db2.gz ATOAUQIMHXNQBJ-UHFFFAOYSA-N -1 3 267.325 1.769 20 10 CDCDHM COc1nccc(CN(C)Cc2ccccc2[O-])n1 ZINC000294778961 371090425 /nfs/dbraw/zinc/09/04/25/371090425.db2.gz JYAFHOOBHMKVLC-UHFFFAOYSA-N -1 3 259.309 1.823 20 10 CDCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)O ZINC000293962227 371350099 /nfs/dbraw/zinc/35/00/99/371350099.db2.gz IQGBBPAXTYAVPI-SNVBAGLBSA-N -1 3 253.298 1.377 20 10 CDCDHM CCN(C)C(=O)CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187925346 284281106 /nfs/dbraw/zinc/28/11/06/284281106.db2.gz BLWZNPSKFVBHLQ-MRVPVSSYSA-N -1 3 272.295 1.799 20 10 CDCDHM COc1cc(Cl)cc(CN2CCCN(C)C(=O)C2)c1[O-] ZINC000191667910 373510139 /nfs/dbraw/zinc/51/01/39/373510139.db2.gz CRTQBNWVBHHMMJ-UHFFFAOYSA-N -1 3 298.770 1.718 20 10 CDCDHM Cc1cc(NC(=O)CN(C)Cc2ccccc2[O-])on1 ZINC000109770552 390647945 /nfs/dbraw/zinc/64/79/45/390647945.db2.gz CJWLRBPKNYIRMG-UHFFFAOYSA-N -1 3 275.308 1.759 20 10 CDCDHM CC[C@H](COC)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182485315 391235914 /nfs/dbraw/zinc/23/59/14/391235914.db2.gz JGZQAYDLMIAMMU-SECBINFHSA-N -1 3 253.298 1.561 20 10 CDCDHM O=C([C@H]1CCCO1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179553127 391210270 /nfs/dbraw/zinc/21/02/70/391210270.db2.gz RGKXEOUBVWUYHQ-OAHLLOKOSA-N -1 3 290.363 1.215 20 10 CDCDHM CC(=O)NC[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000271173748 391291150 /nfs/dbraw/zinc/29/11/50/391291150.db2.gz ISBHTJFARAKVAR-NSHDSACASA-N -1 3 298.770 1.383 20 10 CDCDHM CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H]1OC ZINC000280400165 328235361 /nfs/dbraw/zinc/23/53/61/328235361.db2.gz GYFDPQUMNORHQQ-IRUJWGPZSA-N -1 3 281.308 1.020 20 10 CDCDHM CC(C)OCCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000279048574 519761814 /nfs/dbraw/zinc/76/18/14/519761814.db2.gz AXQYLYXHCFMUPW-UHFFFAOYSA-N -1 3 267.325 1.985 20 10 CDCDHM CCCN(CCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000103479506 521669427 /nfs/dbraw/zinc/66/94/27/521669427.db2.gz ADYNHGRHBBQOFY-UHFFFAOYSA-N -1 3 271.382 1.649 20 10 CDCDHM COc1c([O-])c(CN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000278192420 521872850 /nfs/dbraw/zinc/87/28/50/521872850.db2.gz IEWFUKMMJVNLFA-UHFFFAOYSA-N -1 3 282.296 1.266 20 10 CDCDHM CN1CCN(Cc2c([O-])cccc2Cl)CC1=O ZINC000127370837 523906583 /nfs/dbraw/zinc/90/65/83/523906583.db2.gz DAMPLWMJSRBRJM-UHFFFAOYSA-N -1 3 254.717 1.320 20 10 CDCDHM C[C@H]1CCN(Cc2cc(F)ccc2[O-])CC[S@]1=O ZINC000277418873 524292395 /nfs/dbraw/zinc/29/23/95/524292395.db2.gz ICHDTXOKDKNNGC-YPMLDQLKSA-N -1 3 271.357 1.874 20 10 CDCDHM C[C@H](C[S@@](C)=O)N(C)Cc1cc(F)ccc1[O-] ZINC000130872366 524657648 /nfs/dbraw/zinc/65/76/48/524657648.db2.gz SDDNZXWSWPBPCH-XLFHBGCDSA-N -1 3 259.346 1.730 20 10 CDCDHM COCCOCCCCNC(=O)c1cc([O-])cs1 ZINC000732280773 575086508 /nfs/dbraw/zinc/08/65/08/575086508.db2.gz IDTVHWYORCUWBC-UHFFFAOYSA-N -1 3 273.354 1.627 20 10 CDCDHM CCC[C@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000774393954 575202557 /nfs/dbraw/zinc/20/25/57/575202557.db2.gz NASUVZAEMUMYDU-QMMMGPOBSA-N -1 3 257.311 1.525 20 10 CDCDHM CN(Cc1ccccc1[O-])CC1(CS(C)(=O)=O)CC1 ZINC000767424628 576192271 /nfs/dbraw/zinc/19/22/71/576192271.db2.gz IJYRKPIPOCQKGA-UHFFFAOYSA-N -1 3 283.393 1.649 20 10 CDCDHM CN(Cc1cnn(C)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438530 576282910 /nfs/dbraw/zinc/28/29/10/576282910.db2.gz BGKJSIMMDIKIJR-AWEZNQCLSA-N -1 3 289.335 1.184 20 10 CDCDHM CC[C@@H]1COCCN1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444985 576283127 /nfs/dbraw/zinc/28/31/27/576283127.db2.gz DWWRVTICNCFLJY-BXUZGUMPSA-N -1 3 279.336 1.429 20 10 CDCDHM CC(C)(C)OC(=O)CCNC(=O)c1cc([O-])cs1 ZINC000743502588 576643532 /nfs/dbraw/zinc/64/35/32/576643532.db2.gz DDIOEBOFAYCSGQ-UHFFFAOYSA-N -1 3 271.338 1.915 20 10 CDCDHM COc1cccc([O-])c1CN1CC[S@](=O)C[C@@H](C)C1 ZINC000763646833 576745725 /nfs/dbraw/zinc/74/57/25/576745725.db2.gz COYWJUMGMHMFED-WLRWDXFRSA-N -1 3 283.393 1.601 20 10 CDCDHM CCCN(Cc1nc(=O)n(C)[n-]1)Cc1ccccc1O ZINC000754048332 576875426 /nfs/dbraw/zinc/87/54/26/576875426.db2.gz FPCRAVIJEIHVQU-UHFFFAOYSA-N -1 3 276.340 1.226 20 10 CDCDHM CCS(=O)(=O)CCN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756532511 576994081 /nfs/dbraw/zinc/99/40/81/576994081.db2.gz COVLZOKVZCCSGC-QMMMGPOBSA-N -1 3 293.335 1.756 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC[C@]2(CCOC2)C1 ZINC000757426026 577040047 /nfs/dbraw/zinc/04/00/47/577040047.db2.gz VJIGDIVBMXDANH-LBPRGKRZSA-N -1 3 253.323 1.706 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H](OCCO)C1 ZINC000894017659 618243904 /nfs/dbraw/zinc/24/39/04/618243904.db2.gz RBGAVVRDYFYRDY-LBPRGKRZSA-N -1 3 287.306 1.644 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccncc1 ZINC000126254026 1175446569 /nfs/dbraw/zinc/44/65/69/1175446569.db2.gz LQPCPLCKTYZYAZ-SECBINFHSA-N -1 3 258.277 1.984 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](CO)OC[C@H]2C)c1[O-] ZINC000129270133 778752540 /nfs/dbraw/zinc/75/25/40/778752540.db2.gz ZIQSRVGNASVLMZ-RNCFNFMXSA-N -1 3 297.326 1.316 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nnc2ccccn21 ZINC000188139220 774378020 /nfs/dbraw/zinc/37/80/20/774378020.db2.gz MXNNPZRQPZTUBT-SECBINFHSA-N -1 3 298.302 1.632 20 10 CDCDHM COC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000776656252 774844540 /nfs/dbraw/zinc/84/45/40/774844540.db2.gz SDECYPWSUZKSGR-LLVKDONJSA-N -1 3 281.308 1.415 20 10 CDCDHM COC[C@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000846052090 775093042 /nfs/dbraw/zinc/09/30/42/775093042.db2.gz ALQYEHUEPWKEKY-NXEZZACHSA-N -1 3 289.734 1.766 20 10 CDCDHM CN(Cc1cn(C)nn1)Cc1cc(Cl)ccc1[O-] ZINC000827304809 775625400 /nfs/dbraw/zinc/62/54/00/775625400.db2.gz GHSBCLCMIDNHBC-UHFFFAOYSA-N -1 3 266.732 1.806 20 10 CDCDHM O=C(NCCCOC[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000776349398 775687900 /nfs/dbraw/zinc/68/79/00/775687900.db2.gz CSMMSRZIILDXKR-NSHDSACASA-N -1 3 295.335 1.271 20 10 CDCDHM CCc1ncc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000187200531 776782850 /nfs/dbraw/zinc/78/28/50/776782850.db2.gz AMOMGDQKYLKZNR-UHFFFAOYSA-N -1 3 259.265 1.703 20 10 CDCDHM CCN(CCSC)C(=O)c1cccc(O)c1[O-] ZINC000844122772 776853971 /nfs/dbraw/zinc/85/39/71/776853971.db2.gz MWGCIWLAUPAONZ-UHFFFAOYSA-N -1 3 255.339 1.923 20 10 CDCDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@H](CO)C2)cc1Cl ZINC000825651422 777302064 /nfs/dbraw/zinc/30/20/64/777302064.db2.gz IEZYJFVMLKVCPS-PWSUYJOCSA-N -1 3 285.771 1.936 20 10 CDCDHM CN(C)c1ccc(NC(=O)c2cccc(O)c2[O-])nc1 ZINC000187039957 777547043 /nfs/dbraw/zinc/54/70/43/777547043.db2.gz FUTAEYLDMYONQW-UHFFFAOYSA-N -1 3 273.292 1.811 20 10 CDCDHM CN(Cc1nc[nH]n1)Cc1c([O-])cccc1Br ZINC000862246194 779430484 /nfs/dbraw/zinc/43/04/84/779430484.db2.gz BVZYYPNSSKNRAB-UHFFFAOYSA-N -1 3 297.156 1.905 20 10 CDCDHM CCOC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000884734003 779742982 /nfs/dbraw/zinc/74/29/82/779742982.db2.gz NLLPMEJDVGTHOJ-VIFPVBQESA-N -1 3 279.292 1.123 20 10 CDCDHM CN(C)C(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000133585516 779876641 /nfs/dbraw/zinc/87/66/41/779876641.db2.gz ODVSWDFHMKVYMK-UHFFFAOYSA-N -1 3 297.786 1.845 20 10 CDCDHM Cc1cc([O-])c(CN2C[C@@H](CO)OC[C@H]2C)cc1Cl ZINC000824934034 780017148 /nfs/dbraw/zinc/01/71/48/780017148.db2.gz OEVYFTBVTHBKEW-PWSUYJOCSA-N -1 3 285.771 1.936 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](CO)O1 ZINC000191528119 780093093 /nfs/dbraw/zinc/09/30/93/780093093.db2.gz ZKWDGRYFFMKPII-JOYOIKCWSA-N -1 3 255.289 1.113 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2c([O-])cccc2F)CCCO1 ZINC001137840326 1167031079 /nfs/dbraw/zinc/03/10/79/1167031079.db2.gz XLGVIRBWJKRRBY-ZDUSSCGKSA-N -1 3 283.299 1.295 20 10 CDCDHM CCC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232260008 912068979 /nfs/dbraw/zinc/06/89/79/912068979.db2.gz OJFNBBOEONXOHC-UHFFFAOYSA-N -1 3 298.770 1.805 20 10 CDCDHM C[C@]1(O)COCCN(Cc2c([O-])cccc2F)C1 ZINC001137832840 936417767 /nfs/dbraw/zinc/41/77/67/936417767.db2.gz JWHMEPWXNFWCAI-CYBMUJFWSA-N -1 3 255.289 1.115 20 10 CDCDHM N#CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203665888 920601522 /nfs/dbraw/zinc/60/15/22/920601522.db2.gz ZRVYKXYVRWDONB-UHFFFAOYSA-N -1 3 251.717 1.644 20 10 CDCDHM COC(=O)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC001140337796 936703106 /nfs/dbraw/zinc/70/31/06/936703106.db2.gz FHLZYWAVHBXDKY-UHFFFAOYSA-N -1 3 255.701 1.650 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CC(N2CC(F)C2)C1 ZINC001140461208 936711910 /nfs/dbraw/zinc/71/19/10/936711910.db2.gz HCWDNBGKIVBMQM-UHFFFAOYSA-N -1 3 270.735 1.884 20 10 CDCDHM O=S(=O)(Cc1ccccn1)[N-]c1ccc(O)cc1O ZINC001197780812 925215080 /nfs/dbraw/zinc/21/50/80/925215080.db2.gz XETGYOAGMARNNP-UHFFFAOYSA-N -1 3 280.305 1.435 20 10 CDCDHM C[C@]1(CO)CN(Cc2cc(F)c(F)cc2[O-])CC[C@H]1O ZINC001142508871 937024659 /nfs/dbraw/zinc/02/46/59/937024659.db2.gz OLULNTWXSYMYSA-ZIAGYGMSSA-N -1 3 287.306 1.236 20 10 CDCDHM CN1CCC12CN(Cc1c([O-])cccc1Cl)C2 ZINC001275217546 931703626 /nfs/dbraw/zinc/70/36/26/931703626.db2.gz SLRFITRDLPHPGB-UHFFFAOYSA-N -1 3 252.745 1.936 20 10 CDCDHM Nc1ncc(Cl)nc1NC(=O)c1cccc(O)c1[O-] ZINC001148212088 932668407 /nfs/dbraw/zinc/66/84/07/932668407.db2.gz LOJODFTVNAZPIV-UHFFFAOYSA-N -1 3 280.671 1.376 20 10 CDCDHM O=C(N[C@@H]1NC(=O)c2ccccc21)c1cccc(O)c1[O-] ZINC001148224536 932672078 /nfs/dbraw/zinc/67/20/78/932672078.db2.gz ONWLPJOQMRZDPY-ZDUSSCGKSA-N -1 3 284.271 1.270 20 10 CDCDHM O=C(N[C@H]1C(=O)NCc2ccccc21)c1cccc(O)c1[O-] ZINC001148224398 932672570 /nfs/dbraw/zinc/67/25/70/932672570.db2.gz JYRNPSKTXNSWPP-CYBMUJFWSA-N -1 3 298.298 1.199 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCc2cnccc2C1 ZINC001148579844 932749055 /nfs/dbraw/zinc/74/90/55/932749055.db2.gz BWRHLKARTFVPRT-UHFFFAOYSA-N -1 3 286.287 1.397 20 10 CDCDHM CO[C@@H]1CCCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148584103 932752457 /nfs/dbraw/zinc/75/24/57/932752457.db2.gz OCVDQFFLSWLEPJ-SECBINFHSA-N -1 3 267.281 1.054 20 10 CDCDHM O=C(NCc1n[nH]c2ccccc21)c1cc(O)c([O-])c(O)c1 ZINC001148589933 932755276 /nfs/dbraw/zinc/75/52/76/932755276.db2.gz REYXTQLWGOPARO-UHFFFAOYSA-N -1 3 299.286 1.610 20 10 CDCDHM CN1CCC[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231454282 942898663 /nfs/dbraw/zinc/89/86/63/942898663.db2.gz PKKYFEHSPRLIAD-GXTWGEPZSA-N -1 3 290.363 1.616 20 10 CDCDHM CN1CCC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231454282 942898669 /nfs/dbraw/zinc/89/86/69/942898669.db2.gz PKKYFEHSPRLIAD-GXTWGEPZSA-N -1 3 290.363 1.616 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](O)[C@H](CO)C1 ZINC001231910947 943052393 /nfs/dbraw/zinc/05/23/93/943052393.db2.gz WSSYRXTZDHFMCT-JQWIXIFHSA-N -1 3 271.744 1.221 20 10 CDCDHM COc1cc([O-])c(CN2CC(=O)N[C@@H](C)C2)cc1Cl ZINC001232266060 943194397 /nfs/dbraw/zinc/19/43/97/943194397.db2.gz HVTAMMSBPXENPJ-QMMMGPOBSA-N -1 3 284.743 1.375 20 10 CDCDHM COC[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCO1 ZINC001232262395 943194910 /nfs/dbraw/zinc/19/49/10/943194910.db2.gz FWZGOQBEUAXCPC-JTQLQIEISA-N -1 3 287.743 1.598 20 10 CDCDHM C[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC001233074740 943485517 /nfs/dbraw/zinc/48/55/17/943485517.db2.gz VMVXUOPKNULJHK-LDYMZIIASA-N -1 3 257.280 1.873 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1C[C@@H]2CCO[C@@H]2C1 ZINC001233335498 943547980 /nfs/dbraw/zinc/54/79/80/943547980.db2.gz YDCOQEAPOFLLCH-QPUJVOFHSA-N -1 3 255.264 1.891 20 10 CDCDHM COC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC001261845915 946298851 /nfs/dbraw/zinc/29/88/51/946298851.db2.gz SABAPGCZJNZCGL-LLVKDONJSA-N -1 3 288.294 1.220 20 10 CDCDHM CS(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001252762573 951620066 /nfs/dbraw/zinc/62/00/66/951620066.db2.gz GLYDOCLBYRXSHY-UHFFFAOYSA-N -1 3 286.740 1.643 20 10 CDCDHM C[C@@H]([NH2+]CCOCC(=O)[O-])c1cc(F)ccc1[O-] ZINC001589128261 956177750 /nfs/dbraw/zinc/17/77/50/956177750.db2.gz MFEZFLTWSPSLDZ-MRVPVSSYSA-N -1 3 257.261 1.283 20 10 CDCDHM C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000235338490 960412855 /nfs/dbraw/zinc/41/28/55/960412855.db2.gz LHXRMUYDOFDPCQ-LDYMZIIASA-N -1 3 253.273 1.826 20 10 CDCDHM C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000235338490 960412863 /nfs/dbraw/zinc/41/28/63/960412863.db2.gz LHXRMUYDOFDPCQ-LDYMZIIASA-N -1 3 253.273 1.826 20 10 CDCDHM CC(C)CNC(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001323831283 960990156 /nfs/dbraw/zinc/99/01/56/960990156.db2.gz WXJXUODSSXHGAZ-SNVBAGLBSA-N -1 3 295.339 1.723 20 10 CDCDHM C[C@@H](O)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273625 994619904 /nfs/dbraw/zinc/61/99/04/994619904.db2.gz FNRGETQZSYMGSD-BDAKNGLRSA-N -1 3 253.298 1.512 20 10 CDCDHM COC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605129765 1163460788 /nfs/dbraw/zinc/46/07/88/1163460788.db2.gz VHWRUXDEOORLQI-DTWKUNHWSA-N -1 3 277.328 1.258 20 10 CDCDHM O=C(NC1CC1)[C@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000179937747 357231971 /nfs/dbraw/zinc/23/19/71/357231971.db2.gz FLSYOMYGVWVCDY-CYBMUJFWSA-N -1 3 278.327 1.774 20 10 CDCDHM CCCOc1ccc([C@H]2NC(=O)CN2CC)c([O-])c1 ZINC000189860220 358042615 /nfs/dbraw/zinc/04/26/15/358042615.db2.gz OTJWKVHHCGQPJJ-AWEZNQCLSA-N -1 3 264.325 1.631 20 10 CDCDHM C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(F)c(F)c1[O-] ZINC000191198273 358119346 /nfs/dbraw/zinc/11/93/46/358119346.db2.gz JMBXHSXEBFYKIB-LDYMZIIASA-N -1 3 284.306 1.990 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])CCS(=O)(=O)C1 ZINC000192065716 358173344 /nfs/dbraw/zinc/17/33/44/358173344.db2.gz FKTHGMHOGJBHEZ-JTQLQIEISA-N -1 3 287.356 1.398 20 10 CDCDHM O=C(N[C@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(O)c1[O-] ZINC000193134341 358268720 /nfs/dbraw/zinc/26/87/20/358268720.db2.gz OSZQJQOKOGLODY-CDMKHQONSA-N -1 3 277.320 1.785 20 10 CDCDHM CN(CC(=O)N1CCCCC1)Cc1ccccc1[O-] ZINC000109769838 390648440 /nfs/dbraw/zinc/64/84/40/390648440.db2.gz STCCBSUCQNRNOE-UHFFFAOYSA-N -1 3 262.353 1.837 20 10 CDCDHM Cc1ccc(C(=O)N2CCSCC2)c([O-])c1O ZINC000177673043 391173854 /nfs/dbraw/zinc/17/38/54/391173854.db2.gz AZONGWXLJDCKAY-UHFFFAOYSA-N -1 3 253.323 1.595 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCC2(C1)OCCO2 ZINC000126169021 260346204 /nfs/dbraw/zinc/34/62/04/260346204.db2.gz CPXHWDWNCCUPRR-UHFFFAOYSA-N -1 3 279.292 1.077 20 10 CDCDHM C[C@H](NCC(=O)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000186235198 262085060 /nfs/dbraw/zinc/08/50/60/262085060.db2.gz FEMDBVUHRHWVRS-JTQLQIEISA-N -1 3 298.770 1.555 20 10 CDCDHM COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(Cl)ccc1[O-] ZINC000188783142 329372107 /nfs/dbraw/zinc/37/21/07/329372107.db2.gz YEKGVQVSGXHVRO-CHWSQXEVSA-N -1 3 299.754 1.544 20 10 CDCDHM CN(C(=O)/C=C\c1cncc([O-])c1)c1cccnc1 ZINC000492523533 332401407 /nfs/dbraw/zinc/40/14/07/332401407.db2.gz XEIOTEBWWMDOKM-PLNGDYQASA-N -1 3 255.277 1.858 20 10 CDCDHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCCN(C)C1 ZINC000748334728 576905826 /nfs/dbraw/zinc/90/58/26/576905826.db2.gz KSJBGOCUEYHYRV-SECBINFHSA-N -1 3 254.355 1.620 20 10 CDCDHM CC(=O)C([O-])=CS(=O)(=O)c1ccccc1C(F)(F)F ZINC000289756992 519357407 /nfs/dbraw/zinc/35/74/07/519357407.db2.gz VCUBBFMJJRIVTK-UHFFFAOYSA-N -1 3 294.250 1.637 20 10 CDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCC2)c1 ZINC000264459160 525220658 /nfs/dbraw/zinc/22/06/58/525220658.db2.gz RGOZHKOLLQERDO-UHFFFAOYSA-N -1 3 284.337 1.046 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)c2ncn(C)n2)c([O-])c1O ZINC000275611520 526196472 /nfs/dbraw/zinc/19/64/72/526196472.db2.gz QOVGKXFJWBBSJJ-QMMMGPOBSA-N -1 3 276.296 1.026 20 10 CDCDHM Cc1cnn([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000290884618 526268699 /nfs/dbraw/zinc/26/86/99/526268699.db2.gz AFXVRUNHWJFJEN-NSHDSACASA-N -1 3 287.319 1.690 20 10 CDCDHM Cn1cnnc1CNCc1c([O-])cccc1Cl ZINC000083551863 527523923 /nfs/dbraw/zinc/52/39/23/527523923.db2.gz GJEZCZQKOIGGKO-UHFFFAOYSA-N -1 3 252.705 1.464 20 10 CDCDHM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc([O-])cs1 ZINC000771419980 575578204 /nfs/dbraw/zinc/57/82/04/575578204.db2.gz ULAXOFDSVPXUKS-RNCFNFMXSA-N -1 3 283.349 1.522 20 10 CDCDHM CN(C)C(=O)C1(CNC(=O)c2cc([O-])cs2)CCCC1 ZINC000733366628 575116925 /nfs/dbraw/zinc/11/69/25/575116925.db2.gz BMWOTXMKRHLHED-UHFFFAOYSA-N -1 3 296.392 1.832 20 10 CDCDHM O=C(NCc1cc2c([nH]c1=O)CCC2)c1cc([O-])cs1 ZINC000733364354 575117124 /nfs/dbraw/zinc/11/71/24/575117124.db2.gz RJDQUBMCGSXIBX-UHFFFAOYSA-N -1 3 290.344 1.973 20 10 CDCDHM CCO[C@@H]1COCC[C@@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000760053886 576455425 /nfs/dbraw/zinc/45/54/25/576455425.db2.gz RSJURPMDDVSRBI-NWDGAFQWSA-N -1 3 295.335 1.330 20 10 CDCDHM COc1c([O-])c(CNCc2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000774952471 575254961 /nfs/dbraw/zinc/25/49/61/575254961.db2.gz URRGXDBNGUFTIP-UHFFFAOYSA-N -1 3 278.268 1.322 20 10 CDCDHM Cc1ccc(C(=O)NCC2(O)CCC2)c([O-])c1O ZINC000770503005 575457182 /nfs/dbraw/zinc/45/71/82/575457182.db2.gz PDNFCXYKZFXRLZ-UHFFFAOYSA-N -1 3 251.282 1.051 20 10 CDCDHM NC(=O)CN(C(=O)c1cc([O-])cs1)C1CCCC1 ZINC000772767882 575751429 /nfs/dbraw/zinc/75/14/29/575751429.db2.gz CAFQXMBXNOWGGT-UHFFFAOYSA-N -1 3 268.338 1.324 20 10 CDCDHM CCN(CC(=O)N(C)C)Cc1c([O-])cccc1OC ZINC000768306255 576269323 /nfs/dbraw/zinc/26/93/23/576269323.db2.gz BARKTCDOFOQCLK-UHFFFAOYSA-N -1 3 266.341 1.311 20 10 CDCDHM CN(Cc1ccon1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768448984 576284804 /nfs/dbraw/zinc/28/48/04/576284804.db2.gz YXJLYOIQJUFQJZ-CYBMUJFWSA-N -1 3 276.292 1.438 20 10 CDCDHM COc1cccc([O-])c1CN(CCO)Cc1cccnc1 ZINC000769332239 576346736 /nfs/dbraw/zinc/34/67/36/576346736.db2.gz ZJNCXUPJQFRHOT-UHFFFAOYSA-N -1 3 288.347 1.790 20 10 CDCDHM COc1cccc([O-])c1CN(C)[C@@H](C)CS(C)(=O)=O ZINC000769416631 576352747 /nfs/dbraw/zinc/35/27/47/576352747.db2.gz JYMPIAIOLJPDAM-JTQLQIEISA-N -1 3 287.381 1.266 20 10 CDCDHM C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000747617036 576877168 /nfs/dbraw/zinc/87/71/68/576877168.db2.gz NYOOQXZDFDWIRM-RKDXNWHRSA-N -1 3 255.339 1.687 20 10 CDCDHM CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000820387430 598129201 /nfs/dbraw/zinc/12/92/01/598129201.db2.gz PPECXEBBDKUIGC-NSHDSACASA-N -1 3 265.309 1.697 20 10 CDCDHM CCOc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000820387430 598129202 /nfs/dbraw/zinc/12/92/02/598129202.db2.gz PPECXEBBDKUIGC-NSHDSACASA-N -1 3 265.309 1.697 20 10 CDCDHM CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000820387429 598129244 /nfs/dbraw/zinc/12/92/44/598129244.db2.gz PPECXEBBDKUIGC-LLVKDONJSA-N -1 3 265.309 1.697 20 10 CDCDHM CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000820387429 598129245 /nfs/dbraw/zinc/12/92/45/598129245.db2.gz PPECXEBBDKUIGC-LLVKDONJSA-N -1 3 265.309 1.697 20 10 CDCDHM O=C([O-])[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000236440215 598211696 /nfs/dbraw/zinc/21/16/96/598211696.db2.gz UJUSWQDONROWQL-LLVKDONJSA-N -1 3 253.273 1.970 20 10 CDCDHM O=C([O-])[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000236440215 598211697 /nfs/dbraw/zinc/21/16/97/598211697.db2.gz UJUSWQDONROWQL-LLVKDONJSA-N -1 3 253.273 1.970 20 10 CDCDHM C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000235348494 605479583 /nfs/dbraw/zinc/47/95/83/605479583.db2.gz PDCGDVZBSNJZLW-LDYMZIIASA-N -1 3 253.273 1.684 20 10 CDCDHM C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000235348494 605479586 /nfs/dbraw/zinc/47/95/86/605479586.db2.gz PDCGDVZBSNJZLW-LDYMZIIASA-N -1 3 253.273 1.684 20 10 CDCDHM C[C@H](O)CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604383587 1163170825 /nfs/dbraw/zinc/17/08/25/1163170825.db2.gz DDFRBUZPTBJWMW-UWVGGRQHSA-N -1 3 267.325 1.902 20 10 CDCDHM CCOCCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590810725 1173516905 /nfs/dbraw/zinc/51/69/05/1173516905.db2.gz SZQJJVVNHZULFM-JTQLQIEISA-N -1 3 291.355 1.650 20 10 CDCDHM NC(=O)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000160305346 1178390959 /nfs/dbraw/zinc/39/09/59/1178390959.db2.gz YLAJXQDCLYEGEM-JTQLQIEISA-N -1 3 299.168 1.604 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CCCN1Cc1cccc(OC)c1O ZINC001606833750 1164008327 /nfs/dbraw/zinc/00/83/27/1164008327.db2.gz TYMFHUKUACLKPR-OAHLLOKOSA-N -1 3 295.335 1.466 20 10 CDCDHM Cn1nncc1CNCc1c([O-])ccc(Cl)c1F ZINC000808436407 782473574 /nfs/dbraw/zinc/47/35/74/782473574.db2.gz FOQLMUUTVQLZIG-UHFFFAOYSA-N -1 3 270.695 1.603 20 10 CDCDHM COC[C@H](C)n1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790943044 782777807 /nfs/dbraw/zinc/77/78/07/782777807.db2.gz GSVPRDUFKHDOFY-VIFPVBQESA-N -1 3 291.307 1.754 20 10 CDCDHM O=C(NC[C@@H]1Cc2ccccc2O1)c1cccc(O)c1[O-] ZINC000126378509 780383369 /nfs/dbraw/zinc/38/33/69/780383369.db2.gz GRNREWJKYVTGLF-NSHDSACASA-N -1 3 285.299 1.831 20 10 CDCDHM CN(CCc1nccs1)C(=O)c1cccc(O)c1[O-] ZINC000185886545 780645448 /nfs/dbraw/zinc/64/54/48/780645448.db2.gz VACKBJQSCPKYLT-UHFFFAOYSA-N -1 3 278.333 1.869 20 10 CDCDHM CON(C)C(=O)[C@@H](C)N[C@H](C)c1c([O-])cccc1F ZINC000886644830 781235248 /nfs/dbraw/zinc/23/52/48/781235248.db2.gz LNOCEYWDLXIVHH-RKDXNWHRSA-N -1 3 270.304 1.590 20 10 CDCDHM O=C(Nc1ccc(-n2nccn2)cc1)c1cccc(O)c1[O-] ZINC000188293788 781863781 /nfs/dbraw/zinc/86/37/81/781863781.db2.gz BDBQZSFCVJJHAQ-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM CN1CCN(Cc2ccc(Cl)cc2[O-])CC1=O ZINC001140461330 936712037 /nfs/dbraw/zinc/71/20/37/936712037.db2.gz HZNBWUMNOFXSHM-UHFFFAOYSA-N -1 3 254.717 1.320 20 10 CDCDHM C[C@H](O)CN(CC(F)F)C(=O)c1cccc(O)c1[O-] ZINC000837007008 936817413 /nfs/dbraw/zinc/81/74/13/936817413.db2.gz DZSHSVPKDQDKLL-ZETCQYMHSA-N -1 3 275.251 1.186 20 10 CDCDHM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193605730 923834425 /nfs/dbraw/zinc/83/44/25/923834425.db2.gz IWLKUSKITCZCIP-DTWKUNHWSA-N -1 3 298.770 1.916 20 10 CDCDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(F)cc1[O-] ZINC001142517391 937025961 /nfs/dbraw/zinc/02/59/61/937025961.db2.gz LNSMWVVLKOQXST-CHWSQXEVSA-N -1 3 296.317 1.866 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC001142508563 937025067 /nfs/dbraw/zinc/02/50/67/937025067.db2.gz CVMVUXZWPOYNCK-LBPRGKRZSA-N -1 3 298.333 1.577 20 10 CDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])cc(=O)o1 ZINC001148212195 932667839 /nfs/dbraw/zinc/66/78/39/932667839.db2.gz QHCZSYGKEZNNEV-UHFFFAOYSA-N -1 3 261.233 1.612 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001148583825 932750728 /nfs/dbraw/zinc/75/07/28/932750728.db2.gz COWLKGQPXJZPNP-XHNCKOQMSA-N -1 3 267.256 1.376 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@](F)(CO)CC1 ZINC001148582532 932751338 /nfs/dbraw/zinc/75/13/38/932751338.db2.gz JXWFKCSFNLSLEF-CQSZACIVSA-N -1 3 299.298 1.130 20 10 CDCDHM Cc1nc2c(o1)CCN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001148587061 932752519 /nfs/dbraw/zinc/75/25/19/932752519.db2.gz BXKAIPQVSABOAJ-UHFFFAOYSA-N -1 3 290.275 1.298 20 10 CDCDHM Nc1ccnc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001159273178 938717008 /nfs/dbraw/zinc/71/70/08/938717008.db2.gz UHZZTLYYZFYGJH-UHFFFAOYSA-N -1 3 259.265 1.370 20 10 CDCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C[C@@H]2CCCN12 ZINC001203664030 939700546 /nfs/dbraw/zinc/70/05/46/939700546.db2.gz MKWWLUURYVHRAE-LBPRGKRZSA-N -1 3 280.755 1.852 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](O)[C@H](CO)C2)c1[O-] ZINC000316455111 941486621 /nfs/dbraw/zinc/48/66/21/941486621.db2.gz OTAWPCURNPWMGP-GWCFXTLKSA-N -1 3 299.754 1.033 20 10 CDCDHM CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453287 942897238 /nfs/dbraw/zinc/89/72/38/942897238.db2.gz FWFLZKNSARTTEC-GFCCVEGCSA-N -1 3 277.320 1.891 20 10 CDCDHM CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453287 942897242 /nfs/dbraw/zinc/89/72/42/942897242.db2.gz FWFLZKNSARTTEC-GFCCVEGCSA-N -1 3 277.320 1.891 20 10 CDCDHM Cc1cc([O-])c(CN2CCC[C@H]2C(N)=O)cc1Cl ZINC001231868986 943036836 /nfs/dbraw/zinc/03/68/36/943036836.db2.gz KLEAVXCLBCBYOA-NSHDSACASA-N -1 3 268.744 1.804 20 10 CDCDHM O=C1CN(Cc2cc(Cl)c([O-])cc2O)C[C@@H]2CCCN12 ZINC001232262800 943194491 /nfs/dbraw/zinc/19/44/91/943194491.db2.gz QNXYTYHEIOBPRU-JTQLQIEISA-N -1 3 296.754 1.558 20 10 CDCDHM COc1cc([O-])c(CN2CC(=O)C2)cc1Br ZINC001233140952 943500120 /nfs/dbraw/zinc/50/01/20/943500120.db2.gz ZKBXIDJISSASAQ-UHFFFAOYSA-N -1 3 286.125 1.548 20 10 CDCDHM COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000229118913 949640810 /nfs/dbraw/zinc/64/08/10/949640810.db2.gz DHUODLGCOGZBDG-MRVPVSSYSA-N -1 3 285.727 1.961 20 10 CDCDHM COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000229118913 949640801 /nfs/dbraw/zinc/64/08/01/949640801.db2.gz DHUODLGCOGZBDG-MRVPVSSYSA-N -1 3 285.727 1.961 20 10 CDCDHM COC(=O)N[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001308936857 956598747 /nfs/dbraw/zinc/59/87/47/956598747.db2.gz ICFCIXNMSFSGTR-VIFPVBQESA-N -1 3 286.278 1.601 20 10 CDCDHM O=C1NCC2(CCN(Cc3cc(F)cc(F)c3[O-])CC2)O1 ZINC001333733708 958552405 /nfs/dbraw/zinc/55/24/05/958552405.db2.gz WXGWVEMOXLIWNS-UHFFFAOYSA-N -1 3 298.289 1.745 20 10 CDCDHM C[C@@H](CCO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592529379 978386140 /nfs/dbraw/zinc/38/61/40/978386140.db2.gz QDAYWGXEOPSKBQ-IUCAKERBSA-N -1 3 253.298 1.512 20 10 CDCDHM CCOc1ccc(C[NH2+]C2CC(C(=O)[O-])C2)c([O-])c1 ZINC000874055983 980170496 /nfs/dbraw/zinc/17/04/96/980170496.db2.gz JQBGOEYEXYBGGP-UHFFFAOYSA-N -1 3 265.309 1.744 20 10 CDCDHM CC[C@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001597350549 987488623 /nfs/dbraw/zinc/48/86/23/987488623.db2.gz GORAPDKYEGZNIS-WPRPVWTQSA-N -1 3 253.298 1.512 20 10 CDCDHM C[C@@H]([NH2+]CCCCO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265194 994570453 /nfs/dbraw/zinc/57/04/53/994570453.db2.gz QUMLHKGQLWTXDN-SECBINFHSA-N -1 3 253.298 1.514 20 10 CDCDHM C[C@](Cn1cccn1)([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001604244753 1126229266 /nfs/dbraw/zinc/22/92/66/1126229266.db2.gz QAPUUCJGYRAZMJ-CQSZACIVSA-N -1 3 293.298 1.361 20 10 CDCDHM NC(=O)[C@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000179885880 357228492 /nfs/dbraw/zinc/22/84/92/357228492.db2.gz JTFQFIPPGFGEDW-LLVKDONJSA-N -1 3 252.289 1.371 20 10 CDCDHM C[C@H](CCO)CCNC(=O)c1cccc(O)c1[O-] ZINC000295316534 364024606 /nfs/dbraw/zinc/02/46/06/364024606.db2.gz GHASBHNYNUMTNH-VIFPVBQESA-N -1 3 253.298 1.236 20 10 CDCDHM CN(Cc1cccc(Cl)c1[O-])[C@@H]1CCN(C)C1=O ZINC000271759095 364996080 /nfs/dbraw/zinc/99/60/80/364996080.db2.gz DIRCTZYHJVUSMD-LLVKDONJSA-N -1 3 268.744 1.708 20 10 CDCDHM CCOC(=O)[C@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272791771 365399612 /nfs/dbraw/zinc/39/96/12/365399612.db2.gz WZYYUORBISFROO-SECBINFHSA-N -1 3 281.308 1.335 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@H]1O ZINC000273028079 365464525 /nfs/dbraw/zinc/46/45/25/365464525.db2.gz SHLHDYLBYRWLSQ-MWLCHTKSSA-N -1 3 265.309 1.249 20 10 CDCDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000273521551 365503722 /nfs/dbraw/zinc/50/37/22/365503722.db2.gz UMVCCAOIWDRUNS-NOZJJQNGSA-N -1 3 279.315 1.649 20 10 CDCDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])C(=O)NCCF ZINC000282654684 367976884 /nfs/dbraw/zinc/97/68/84/367976884.db2.gz IFXDALHFIBMKPR-RKDXNWHRSA-N -1 3 272.295 1.656 20 10 CDCDHM Cc1cc(C)c([C@H](C)NCc2ncn(C)n2)c([O-])c1 ZINC000294827934 371094868 /nfs/dbraw/zinc/09/48/68/371094868.db2.gz QUUBWYFFSOEHFP-NSHDSACASA-N -1 3 260.341 1.988 20 10 CDCDHM CC(=O)NC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000297410682 371988488 /nfs/dbraw/zinc/98/84/88/371988488.db2.gz LJHRPERUEVKJHY-UHFFFAOYSA-N -1 3 254.717 1.366 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@]2(O)CCC[C@H]2C)c([O-])c1O ZINC000294324073 378629254 /nfs/dbraw/zinc/62/92/54/378629254.db2.gz PMKBVEPERFGZEB-BMIGLBTASA-N -1 3 279.336 1.687 20 10 CDCDHM CN(CC(=O)NC1CCCC1)Cc1ccccc1[O-] ZINC000109769615 390648326 /nfs/dbraw/zinc/64/83/26/390648326.db2.gz QPFGLBUTQXNJRZ-UHFFFAOYSA-N -1 3 262.353 1.883 20 10 CDCDHM CC[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182531931 391236030 /nfs/dbraw/zinc/23/60/30/391236030.db2.gz QRZNNSQUCPJIJM-CYBMUJFWSA-N -1 3 253.298 1.297 20 10 CDCDHM C[C@@H]([NH2+]C1CC=CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953540 1173209832 /nfs/dbraw/zinc/20/98/32/1173209832.db2.gz DBWMIKCGCWRNGD-SECBINFHSA-N -1 3 271.324 1.942 20 10 CDCDHM O=C(NCc1cnc2n1CCCC2)c1cccc(O)c1[O-] ZINC000377142879 268050724 /nfs/dbraw/zinc/05/07/24/268050724.db2.gz VNBDOQOJQSGFSF-UHFFFAOYSA-N -1 3 287.319 1.561 20 10 CDCDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000276885450 328219794 /nfs/dbraw/zinc/21/97/94/328219794.db2.gz GQENYVDEKDBZGY-QPUJVOFHSA-N -1 3 297.305 1.788 20 10 CDCDHM [O-]c1ccccc1CN1CCn2c(nnc2C2CC2)C1 ZINC000378489553 329052681 /nfs/dbraw/zinc/05/26/81/329052681.db2.gz BTXGMZNCMMVCKZ-UHFFFAOYSA-N -1 3 270.336 1.877 20 10 CDCDHM CCNC(=O)[C@H](C)NCc1c([O-])cccc1Cl ZINC000083551509 521745477 /nfs/dbraw/zinc/74/54/77/521745477.db2.gz XTIWPHJBLGZFEL-QMMMGPOBSA-N -1 3 256.733 1.660 20 10 CDCDHM COCCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879717 521769676 /nfs/dbraw/zinc/76/96/76/521769676.db2.gz OSNQVLSWLRZCDM-UHFFFAOYSA-N -1 3 265.718 1.434 20 10 CDCDHM COc1cc(Cl)cc(CN[C@@]2(C)CCOC2=O)c1[O-] ZINC000290857962 522540743 /nfs/dbraw/zinc/54/07/43/522540743.db2.gz JMLCOXNTGYTSTR-ZDUSSCGKSA-N -1 3 285.727 1.849 20 10 CDCDHM CC[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000291956011 522541912 /nfs/dbraw/zinc/54/19/12/522541912.db2.gz FIQHYEDMUPXQID-VIFPVBQESA-N -1 3 253.298 1.561 20 10 CDCDHM COCCO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000275448499 524037175 /nfs/dbraw/zinc/03/71/75/524037175.db2.gz CJHDRYSOLXNQOK-NSHDSACASA-N -1 3 295.335 1.284 20 10 CDCDHM C[C@@H](C[S@](C)=O)N(C)Cc1cc(F)ccc1[O-] ZINC000130871720 524876032 /nfs/dbraw/zinc/87/60/32/524876032.db2.gz SDDNZXWSWPBPCH-HUTHGQBESA-N -1 3 259.346 1.730 20 10 CDCDHM O=C([O-])[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC001601642347 1174925812 /nfs/dbraw/zinc/92/58/12/1174925812.db2.gz GODUCZKLGSPYBZ-CYBMUJFWSA-N -1 3 279.336 1.752 20 10 CDCDHM CC(C)(C)C(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732269330 575085147 /nfs/dbraw/zinc/08/51/47/575085147.db2.gz QRGGCTIDUODTOX-UHFFFAOYSA-N -1 3 296.392 1.784 20 10 CDCDHM O=C(OCCn1ccccc1=O)c1cc([O-])cs1 ZINC000733495966 575127595 /nfs/dbraw/zinc/12/75/95/575127595.db2.gz CADSPJBGPXSWKR-UHFFFAOYSA-N -1 3 265.290 1.472 20 10 CDCDHM CCCC[C@@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000761176636 576557225 /nfs/dbraw/zinc/55/72/25/576557225.db2.gz KKFUAXZCTNFKJC-SECBINFHSA-N -1 3 271.338 1.915 20 10 CDCDHM CCOc1ccc(CN2CCS(=O)(=O)C[C@H]2C)c([O-])c1 ZINC000769447015 575367145 /nfs/dbraw/zinc/36/71/45/575367145.db2.gz FPTJJSLXQDDSHA-LLVKDONJSA-N -1 3 299.392 1.410 20 10 CDCDHM COc1cccc([O-])c1CN1CCC[C@H](S(C)(=O)=O)C1 ZINC000764676754 575932916 /nfs/dbraw/zinc/93/29/16/575932916.db2.gz BURBIIOSZWXJTC-NSHDSACASA-N -1 3 299.392 1.410 20 10 CDCDHM COc1cccc([O-])c1CN(C)CC(=O)NC1CC1 ZINC000768204438 576264473 /nfs/dbraw/zinc/26/44/73/576264473.db2.gz YSBFJVHWYSAWJU-UHFFFAOYSA-N -1 3 264.325 1.111 20 10 CDCDHM Cn1nccc1CCNC(=O)c1cc([O-])cs1 ZINC000762815701 576676161 /nfs/dbraw/zinc/67/61/61/576676161.db2.gz PJPUEAJOISDJQR-UHFFFAOYSA-N -1 3 251.311 1.160 20 10 CDCDHM C[C@@H](CC[S@](C)=O)NC(=O)c1cc([O-])cs1 ZINC000748373609 576909424 /nfs/dbraw/zinc/90/94/24/576909424.db2.gz YVMYCSMQDCDEIC-GYKQLYQFSA-N -1 3 261.368 1.341 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000748509790 576915530 /nfs/dbraw/zinc/91/55/30/576915530.db2.gz DSEQRIKCZKBODO-LBPRGKRZSA-N -1 3 297.376 1.864 20 10 CDCDHM COC(=O)[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000755867640 576965225 /nfs/dbraw/zinc/96/52/25/576965225.db2.gz SUVSVQQJFKIBHZ-VXNVDRBHSA-N -1 3 269.322 1.335 20 10 CDCDHM COC(=O)C1(CNC(=O)c2cc([O-])cs2)CCCC1 ZINC000752813067 577128938 /nfs/dbraw/zinc/12/89/38/577128938.db2.gz PGLGVOWHEFOZBN-UHFFFAOYSA-N -1 3 283.349 1.917 20 10 CDCDHM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000912015913 629736113 /nfs/dbraw/zinc/73/61/13/629736113.db2.gz VPVSCNLXZDDGCK-KXUCPTDWSA-N -1 3 292.335 1.178 20 10 CDCDHM Cc1nc(N(C)Cc2ccccc2O)ccc1-c1nnn[n-]1 ZINC001606048590 1163754714 /nfs/dbraw/zinc/75/47/14/1163754714.db2.gz WXQYZEPHHWXEIF-UHFFFAOYSA-N -1 3 296.334 1.912 20 10 CDCDHM Cc1nc(N(C)Cc2ccccc2O)ccc1-c1nn[n-]n1 ZINC001606048590 1163754720 /nfs/dbraw/zinc/75/47/20/1163754720.db2.gz WXQYZEPHHWXEIF-UHFFFAOYSA-N -1 3 296.334 1.912 20 10 CDCDHM O=C(NCCOCC(F)(F)F)c1cccc(O)c1[O-] ZINC000126421929 1166000171 /nfs/dbraw/zinc/00/01/71/1166000171.db2.gz WKCBRXLDUCCWSL-UHFFFAOYSA-N -1 3 279.214 1.407 20 10 CDCDHM O=C(NCCOC1CCC1)c1cccc(O)c1[O-] ZINC000691216687 914825192 /nfs/dbraw/zinc/82/51/92/914825192.db2.gz IOIWABSSCUKUQA-UHFFFAOYSA-N -1 3 251.282 1.397 20 10 CDCDHM CC(=O)N[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000228356316 911889587 /nfs/dbraw/zinc/88/95/87/911889587.db2.gz RAZDHUFKNFCEHG-LLVKDONJSA-N -1 3 268.744 1.756 20 10 CDCDHM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1cc(F)ccc1[O-] ZINC001140055151 936674358 /nfs/dbraw/zinc/67/43/58/936674358.db2.gz LMJWLUZZCKPRDB-AWEZNQCLSA-N -1 3 295.310 1.628 20 10 CDCDHM CCOC(=O)[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC001140060300 936675468 /nfs/dbraw/zinc/67/54/68/936675468.db2.gz UMTDUPCHZDZSRL-LBPRGKRZSA-N -1 3 283.299 1.295 20 10 CDCDHM O=C(NCCc1ccc(O)c(O)c1)c1ccccc1[O-] ZINC000011639216 920825916 /nfs/dbraw/zinc/82/59/16/920825916.db2.gz KFHXVNUGAVAMHW-UHFFFAOYSA-N -1 3 273.288 1.776 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCN1C ZINC001142524729 937027815 /nfs/dbraw/zinc/02/78/15/937027815.db2.gz IJWDOFJGOLCFOF-SECBINFHSA-N -1 3 256.296 1.806 20 10 CDCDHM O=C(N[C@@H]1Cc2ccccc2NC1=O)c1cccc(O)c1[O-] ZINC001151147647 937272132 /nfs/dbraw/zinc/27/21/32/937272132.db2.gz KUQBGQNXLWNABL-GFCCVEGCSA-N -1 3 298.298 1.391 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCc2ncncc2C1 ZINC001153217652 937430126 /nfs/dbraw/zinc/43/01/26/937430126.db2.gz VIEXKQMJTWWZMT-UHFFFAOYSA-N -1 3 271.276 1.086 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC(CC(F)F)C1 ZINC000819731462 930841046 /nfs/dbraw/zinc/84/10/46/930841046.db2.gz PUTIGYMGDHXWDS-UHFFFAOYSA-N -1 3 257.236 1.825 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1c([O-])cccc1F ZINC000886491924 930892601 /nfs/dbraw/zinc/89/26/01/930892601.db2.gz WOZMFMDFCBFKNL-DTWKUNHWSA-N -1 3 254.305 1.707 20 10 CDCDHM C[C@H]1CCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846231757 931998096 /nfs/dbraw/zinc/99/80/96/931998096.db2.gz OQRVYRZUUIHVAO-VIFPVBQESA-N -1 3 290.323 1.365 20 10 CDCDHM C[C@H](COCC1CC1)NC(=O)c1cccc(O)c1[O-] ZINC000846526601 932056641 /nfs/dbraw/zinc/05/66/41/932056641.db2.gz BTOHTVMXPRWEHV-SECBINFHSA-N -1 3 265.309 1.643 20 10 CDCDHM Cc1cnc(C)c(NC(=O)c2cccc(O)c2[O-])n1 ZINC001148212702 932667787 /nfs/dbraw/zinc/66/77/87/932667787.db2.gz GOYOXFSVOHZHJU-UHFFFAOYSA-N -1 3 259.265 1.757 20 10 CDCDHM O=C(NCC1(c2cnccn2)CC1)c1cccc(O)c1[O-] ZINC001148224285 932671357 /nfs/dbraw/zinc/67/13/57/932671357.db2.gz GPAOYHLXCWXKSQ-UHFFFAOYSA-N -1 3 285.303 1.349 20 10 CDCDHM Cc1c[nH]c(CCNC(=O)c2cccc(O)c2[O-])n1 ZINC001148220228 932672588 /nfs/dbraw/zinc/67/25/88/932672588.db2.gz ZVBOSFCCNILTMN-UHFFFAOYSA-N -1 3 261.281 1.102 20 10 CDCDHM O=C(Nc1cc(C2CC2)[nH]n1)c1cc(O)c([O-])c(O)c1 ZINC001148579841 932749414 /nfs/dbraw/zinc/74/94/14/932749414.db2.gz BQSUONXTBVNGFW-UHFFFAOYSA-N -1 3 275.264 1.656 20 10 CDCDHM O=C(Nc1[nH]nc2cccnc21)c1cc(O)c([O-])c(O)c1 ZINC001148581647 932750440 /nfs/dbraw/zinc/75/04/40/932750440.db2.gz RBTGOSNLOLYPEG-UHFFFAOYSA-N -1 3 286.247 1.327 20 10 CDCDHM CO[C@@H]1CCN(C(=O)c2cc(O)c([O-])c(O)c2)[C@H](C)C1 ZINC001148587094 932753471 /nfs/dbraw/zinc/75/34/71/932753471.db2.gz DBUKLRJYBWPJNO-PSASIEDQSA-N -1 3 281.308 1.443 20 10 CDCDHM O=C(/C=C/c1ccc(O)c(O)c1)[N-]OCC(F)(F)F ZINC000779534428 934600114 /nfs/dbraw/zinc/60/01/14/934600114.db2.gz QKWANKBIUJGWLI-DUXPYHPUSA-N -1 3 277.198 1.721 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)c1cnc2nccnc2c1 ZINC001156170372 938327988 /nfs/dbraw/zinc/32/79/88/938327988.db2.gz MKQHRGFXZRULCY-UHFFFAOYSA-N -1 3 298.277 1.800 20 10 CDCDHM O=C([O-])c1ccc(C[NH+]2CC3(C2)CCCOC3)c([O-])c1 ZINC001231449676 942894465 /nfs/dbraw/zinc/89/44/65/942894465.db2.gz LMAUKPKEDORHLX-UHFFFAOYSA-N -1 3 277.320 1.703 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001231449753 942894580 /nfs/dbraw/zinc/89/45/80/942894580.db2.gz MRNOCWSHRKZOAB-UHFFFAOYSA-N -1 3 263.293 1.313 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001231449753 942894584 /nfs/dbraw/zinc/89/45/84/942894584.db2.gz MRNOCWSHRKZOAB-UHFFFAOYSA-N -1 3 263.293 1.313 20 10 CDCDHM CCNC(=O)[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231453248 942896175 /nfs/dbraw/zinc/89/61/75/942896175.db2.gz JISQKHLYYOCAPW-LBPRGKRZSA-N -1 3 292.335 1.191 20 10 CDCDHM CN1CC2(C1)CN(Cc1cccc(Cl)c1[O-])C2 ZINC001231913535 943051719 /nfs/dbraw/zinc/05/17/19/943051719.db2.gz LVLWLVQFIARGNC-UHFFFAOYSA-N -1 3 252.745 1.793 20 10 CDCDHM CC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232258338 943190496 /nfs/dbraw/zinc/19/04/96/943190496.db2.gz VJUMSDNRURIVIC-UHFFFAOYSA-N -1 3 284.743 1.415 20 10 CDCDHM [O-]c1cc(O)c(CN2CC3(COC3)C2)cc1Cl ZINC001232260441 943192500 /nfs/dbraw/zinc/19/25/00/943192500.db2.gz QLWIVQBQPNJQSB-UHFFFAOYSA-N -1 3 255.701 1.583 20 10 CDCDHM COc1cc([O-])c(CN2C[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001232266657 943194207 /nfs/dbraw/zinc/19/42/07/943194207.db2.gz QQJPLPBMILUAQP-GXSJLCMTSA-N -1 3 275.707 1.569 20 10 CDCDHM COc1cc([O-])c(CN2C[C@@H]3C[C@H]2C(=O)O3)cc1Cl ZINC001232268661 943197708 /nfs/dbraw/zinc/19/77/08/943197708.db2.gz QCRXDOFAKBTSNL-WPRPVWTQSA-N -1 3 283.711 1.554 20 10 CDCDHM Cc1cc([O-])c(CN2CC(=O)C2)cc1Br ZINC001237679896 944924605 /nfs/dbraw/zinc/92/46/05/944924605.db2.gz WIVHCSKFTKAUPB-UHFFFAOYSA-N -1 3 270.126 1.848 20 10 CDCDHM CCOC(=O)c1c[n-]c2c1ncnc2-c1ccn(C)c(=O)c1 ZINC001240969657 946119320 /nfs/dbraw/zinc/11/93/20/946119320.db2.gz VGKGFCFUXNHQPX-UHFFFAOYSA-N -1 3 298.302 1.500 20 10 CDCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000848310216 968978363 /nfs/dbraw/zinc/97/83/63/968978363.db2.gz WIQZXGSXLTXROE-VIFPVBQESA-N -1 3 295.335 1.805 20 10 CDCDHM CN1CC(=O)N[C@@H]1c1cc(Br)ccc1[O-] ZINC000298776004 356912939 /nfs/dbraw/zinc/91/29/39/356912939.db2.gz HNQZGVGOOUZEBD-JTQLQIEISA-N -1 3 271.114 1.215 20 10 CDCDHM CC(C)CN1CCN(Cc2ccccc2[O-])CC1=O ZINC000190098113 358052386 /nfs/dbraw/zinc/05/23/86/358052386.db2.gz OEWSEQUWEOIBQT-UHFFFAOYSA-N -1 3 262.353 1.692 20 10 CDCDHM CN(Cc1cc(F)ccc1[O-])[C@H]1CCN(C)C1=O ZINC000272331319 365192574 /nfs/dbraw/zinc/19/25/74/365192574.db2.gz WNIHWEGDTCCLCQ-NSHDSACASA-N -1 3 252.289 1.194 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H](C)CCO)c([O-])c1O ZINC000272744261 365376972 /nfs/dbraw/zinc/37/69/72/365376972.db2.gz MQRRPPWIZVVADM-QMMMGPOBSA-N -1 3 253.298 1.155 20 10 CDCDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000273526913 365504130 /nfs/dbraw/zinc/50/41/30/365504130.db2.gz VKPHFRXHCYTQDC-RNCFNFMXSA-N -1 3 279.315 1.649 20 10 CDCDHM Cc1ccc(C(=O)Nc2nncn2C2CC2)c([O-])c1O ZINC000285949196 368677044 /nfs/dbraw/zinc/67/70/44/368677044.db2.gz VIAUVVWAGJZYIP-UHFFFAOYSA-N -1 3 274.280 1.585 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CCOC[C@H]2C)c([O-])c1O ZINC000287083263 369083682 /nfs/dbraw/zinc/08/36/82/369083682.db2.gz YIUAGKQGCUNCOC-GHMZBOCLSA-N -1 3 279.336 1.809 20 10 CDCDHM Cc1ccc(C(=O)NCCC(=O)NC(C)C)c([O-])c1O ZINC000179432928 261787009 /nfs/dbraw/zinc/78/70/09/261787009.db2.gz YODBSQYOAHDKIQ-UHFFFAOYSA-N -1 3 280.324 1.051 20 10 CDCDHM O=C1N[C@H](c2cc(F)ccc2[O-])N2CCSC[C@H]12 ZINC000270761662 296394609 /nfs/dbraw/zinc/39/46/09/296394609.db2.gz DMEBDHQURFVFQN-KOLCDFICSA-N -1 3 268.313 1.077 20 10 CDCDHM O=C1CCN(Cc2cc(Br)ccc2[O-])CCN1 ZINC000093101428 390899776 /nfs/dbraw/zinc/89/97/76/390899776.db2.gz NJZYCXORXXOVMO-UHFFFAOYSA-N -1 3 299.168 1.477 20 10 CDCDHM CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179546316 391210642 /nfs/dbraw/zinc/21/06/42/391210642.db2.gz CSYJEYKCQVOAEL-LDYMZIIASA-N -1 3 267.325 1.543 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368635275 267192680 /nfs/dbraw/zinc/19/26/80/267192680.db2.gz FLZFPGHJIUWMOI-JZYVYDRUSA-N -1 3 253.729 1.716 20 10 CDCDHM COC(=O)C[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000377836023 329031096 /nfs/dbraw/zinc/03/10/96/329031096.db2.gz YHHAKFZOBZIHSH-GFCCVEGCSA-N -1 3 299.754 1.810 20 10 CDCDHM O=C(/C=C/c1cncc([O-])c1)N1C[C@@H](O)Cc2ccccc21 ZINC000492963296 332420431 /nfs/dbraw/zinc/42/04/31/332420431.db2.gz ZUXVVMVSCCKHHY-NFAHFFEMSA-N -1 3 296.326 1.751 20 10 CDCDHM O=C(N[C@@H]1CCN(C2CC2)C1)c1c(F)ccc(O)c1[O-] ZINC000789963396 1162117305 /nfs/dbraw/zinc/11/73/05/1162117305.db2.gz MHIJIMAVMCBZER-MRVPVSSYSA-N -1 3 280.299 1.203 20 10 CDCDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000790238849 1162136177 /nfs/dbraw/zinc/13/61/77/1162136177.db2.gz OVJOROJFJDDOQJ-UHFFFAOYSA-N -1 3 298.364 1.246 20 10 CDCDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000093923819 520070139 /nfs/dbraw/zinc/07/01/39/520070139.db2.gz WMKBXGAJFGKUAX-UHFFFAOYSA-N -1 3 298.364 1.388 20 10 CDCDHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2[O-])[C@H]1OC ZINC000275230511 520359496 /nfs/dbraw/zinc/35/94/96/520359496.db2.gz FCIZAKONGVMFPA-JTNHKYCSSA-N -1 3 295.335 1.328 20 10 CDCDHM Cc1nnc(CCNC(=O)c2cccc(O)c2[O-])s1 ZINC000291348056 526329681 /nfs/dbraw/zinc/32/96/81/526329681.db2.gz XGJLMHQOAHGQLB-UHFFFAOYSA-N -1 3 279.321 1.230 20 10 CDCDHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N1CC[C@@H](C)C1 ZINC000766048622 576074393 /nfs/dbraw/zinc/07/43/93/576074393.db2.gz UTMDGCBWNARZFX-SECBINFHSA-N -1 3 298.364 1.593 20 10 CDCDHM CN(Cc1cc2c(cc1[O-])OC[C@H]2O)CC(F)F ZINC000768450430 576284632 /nfs/dbraw/zinc/28/46/32/576284632.db2.gz JLVLEFSRDZYJBU-SNVBAGLBSA-N -1 3 259.252 1.515 20 10 CDCDHM C[C@@H](CCS(C)(=O)=O)NC(=O)c1cc([O-])cs1 ZINC000762579834 576656066 /nfs/dbraw/zinc/65/60/66/576656066.db2.gz WBMHOJAYCJCVCP-ZETCQYMHSA-N -1 3 277.367 1.007 20 10 CDCDHM COc1cccc([O-])c1CN1CC[C@H](C)S(=O)(=O)CC1 ZINC000763625555 576744254 /nfs/dbraw/zinc/74/42/54/576744254.db2.gz JANAYSJXIFTMRE-NSHDSACASA-N -1 3 299.392 1.410 20 10 CDCDHM CN(Cc1c([O-])ccc2ccncc21)[C@@H]1CCNC1=O ZINC000758406994 577105915 /nfs/dbraw/zinc/10/59/15/577105915.db2.gz JJEHRRUBIJBSBS-CYBMUJFWSA-N -1 3 271.320 1.261 20 10 CDCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](O)[C@H](CO)C1 ZINC000840975624 617969692 /nfs/dbraw/zinc/96/96/92/617969692.db2.gz PMCOQUXYTNTMIQ-CABZTGNLSA-N -1 3 289.734 1.360 20 10 CDCDHM CC[C@@H](O)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000912119395 629792539 /nfs/dbraw/zinc/79/25/39/629792539.db2.gz PDPZARGLIKJCOI-VXGBXAGGSA-N -1 3 279.336 1.863 20 10 CDCDHM CN(Cc1c[nH]nn1)Cc1cc(Cl)cc(F)c1[O-] ZINC001576863718 1171539181 /nfs/dbraw/zinc/53/91/81/1171539181.db2.gz ZDTWRCYLPMCBCA-UHFFFAOYSA-N -1 3 270.695 1.935 20 10 CDCDHM C[C@H]([NH2+][C@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978006 1173218105 /nfs/dbraw/zinc/21/81/05/1173218105.db2.gz DVBYDKQENFLRAE-UWVGGRQHSA-N -1 3 289.339 1.402 20 10 CDCDHM CC(C)c1ccc(O)c(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1 ZINC001604002782 1175712956 /nfs/dbraw/zinc/71/29/56/1175712956.db2.gz NJZIEYYYIOPNKK-HUUCEWRRSA-N -1 3 293.363 1.926 20 10 CDCDHM CCCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)[O-] ZINC001609970198 1165169824 /nfs/dbraw/zinc/16/98/24/1165169824.db2.gz DNJUALYZIJIIMS-OAHLLOKOSA-N -1 3 281.352 1.830 20 10 CDCDHM CCCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)[O-] ZINC001609970198 1165169826 /nfs/dbraw/zinc/16/98/26/1165169826.db2.gz DNJUALYZIJIIMS-OAHLLOKOSA-N -1 3 281.352 1.830 20 10 CDCDHM O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1cccc(O)c1[O-] ZINC000834009092 784839654 /nfs/dbraw/zinc/83/96/54/784839654.db2.gz DSDUDSPQXCYKGA-JSGCOSHPSA-N -1 3 291.347 1.625 20 10 CDCDHM COCC1(C)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790917645 785541608 /nfs/dbraw/zinc/54/16/08/785541608.db2.gz IVOFEHFPKUIHFU-UHFFFAOYSA-N -1 3 279.336 1.987 20 10 CDCDHM CN1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](CO)C1 ZINC000877643204 785666245 /nfs/dbraw/zinc/66/62/45/785666245.db2.gz CIZREAOWCDSFFP-SNVBAGLBSA-N -1 3 288.750 1.293 20 10 CDCDHM CCO[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000701825766 785850447 /nfs/dbraw/zinc/85/04/47/785850447.db2.gz NTUVHRBTWZDHDG-VIFPVBQESA-N -1 3 251.282 1.349 20 10 CDCDHM C[C@@H](NCC(=O)N1CCOCC1)c1c([O-])cccc1F ZINC000886562304 787861593 /nfs/dbraw/zinc/86/15/93/787861593.db2.gz WFDDGHDBENLDIY-SNVBAGLBSA-N -1 3 282.315 1.041 20 10 CDCDHM C[C@H]1CSCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000380380724 789771005 /nfs/dbraw/zinc/77/10/05/789771005.db2.gz OJHVZHXWRKZBEL-SECBINFHSA-N -1 3 267.350 1.923 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(F)(F)[C@@H](CO)C1 ZINC000403627073 896567016 /nfs/dbraw/zinc/56/70/16/896567016.db2.gz YXTCKRYYIZOEQS-MRVPVSSYSA-N -1 3 287.262 1.188 20 10 CDCDHM COCC(=O)N[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC001138131440 936476658 /nfs/dbraw/zinc/47/66/58/936476658.db2.gz ZSIJAKFHNFRZAG-GFCCVEGCSA-N -1 3 296.342 1.258 20 10 CDCDHM CC(=O)[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC001140056126 936674433 /nfs/dbraw/zinc/67/44/33/936674433.db2.gz IWWCBFKEEZOUFT-CYBMUJFWSA-N -1 3 253.273 1.321 20 10 CDCDHM CN(CC(=O)N1CCOCC1)Cc1ccc(Cl)cc1[O-] ZINC001140461863 936712726 /nfs/dbraw/zinc/71/27/26/936712726.db2.gz WHRLWQHZGNUVSU-UHFFFAOYSA-N -1 3 298.770 1.336 20 10 CDCDHM O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(O)c1[O-] ZINC000186960882 922109809 /nfs/dbraw/zinc/10/98/09/922109809.db2.gz LSEQYBRNQUDGIH-UHFFFAOYSA-N -1 3 288.259 1.936 20 10 CDCDHM C[C@H](O)CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000691372260 922656144 /nfs/dbraw/zinc/65/61/44/922656144.db2.gz CYVKYANQHYYPIQ-QMMMGPOBSA-N -1 3 251.282 1.083 20 10 CDCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](CO)C1 ZINC000775668944 924697176 /nfs/dbraw/zinc/69/71/76/924697176.db2.gz AWYXBAQKUHUCKP-MRVPVSSYSA-N -1 3 259.708 1.999 20 10 CDCDHM O=C(Nc1noc2cccnc21)c1cccc(O)c1[O-] ZINC001148213154 932667969 /nfs/dbraw/zinc/66/79/69/932667969.db2.gz YHGPUGHRDAUMPE-UHFFFAOYSA-N -1 3 271.232 1.886 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@](O)(CF)CC1 ZINC001148212085 932668477 /nfs/dbraw/zinc/66/84/77/932668477.db2.gz LHCHZVMLMKKRFP-AWEZNQCLSA-N -1 3 283.299 1.425 20 10 CDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n2ncnc2n1 ZINC001148212542 932668504 /nfs/dbraw/zinc/66/85/04/932668504.db2.gz CZAZWPUSXYUCIM-UHFFFAOYSA-N -1 3 285.263 1.096 20 10 CDCDHM O=C(Nc1ccc2[nH]c(=O)cnc2c1)c1cccc(O)c1[O-] ZINC001148220103 932672091 /nfs/dbraw/zinc/67/20/91/932672091.db2.gz QPKXZMYOKWKDDA-UHFFFAOYSA-N -1 3 297.270 1.587 20 10 CDCDHM COc1ccc(CCNC(=O)c2cccc(O)c2[O-])nc1 ZINC001148219903 932672269 /nfs/dbraw/zinc/67/22/69/932672269.db2.gz DWGHHFANLRMZMX-UHFFFAOYSA-N -1 3 288.303 1.474 20 10 CDCDHM O=C(Nc1cnc2n[nH]cc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148580129 932749284 /nfs/dbraw/zinc/74/92/84/932749284.db2.gz FHWYNFBTUHPQCP-UHFFFAOYSA-N -1 3 286.247 1.327 20 10 CDCDHM CC1(C)C[C@@H](CNC(=O)c2cc(O)c([O-])c(O)c2)CCO1 ZINC001148590438 932754143 /nfs/dbraw/zinc/75/41/43/932754143.db2.gz KANOZFVYXUKPDL-VIFPVBQESA-N -1 3 295.335 1.738 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ncccn2)CC1 ZINC001123953512 936254678 /nfs/dbraw/zinc/25/46/78/936254678.db2.gz GPELRYPUZGXFGC-UHFFFAOYSA-N -1 3 299.330 1.908 20 10 CDCDHM O=C(Cn1cc(Cl)cn1)NCc1c([O-])cccc1F ZINC001156170571 938327737 /nfs/dbraw/zinc/32/77/37/938327737.db2.gz QESRHTSWPQJAFH-UHFFFAOYSA-N -1 3 283.690 1.698 20 10 CDCDHM C[C@]1(O)CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446412 942891113 /nfs/dbraw/zinc/89/11/13/942891113.db2.gz IPPFFWJMAZJAMN-HNNXBMFYSA-N -1 3 279.336 1.827 20 10 CDCDHM C[C@]1(O)CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446412 942891115 /nfs/dbraw/zinc/89/11/15/942891115.db2.gz IPPFFWJMAZJAMN-HNNXBMFYSA-N -1 3 279.336 1.827 20 10 CDCDHM C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@]1(C)O ZINC001231560379 942925449 /nfs/dbraw/zinc/92/54/49/942925449.db2.gz IGCBURGKCZIRSD-BONVTDFDSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@]1(C)O ZINC001231560379 942925453 /nfs/dbraw/zinc/92/54/53/942925453.db2.gz IGCBURGKCZIRSD-BONVTDFDSA-N -1 3 279.336 1.683 20 10 CDCDHM CO[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)C[C@@H]1F ZINC001232259224 943191842 /nfs/dbraw/zinc/19/18/42/943191842.db2.gz HJIZXUVPPVRYQO-CABZTGNLSA-N -1 3 275.707 1.920 20 10 CDCDHM COC(=O)CN(C)Cc1cc(Cl)c([O-])cc1O ZINC001232262996 943194892 /nfs/dbraw/zinc/19/48/92/943194892.db2.gz ZJSHLWQYHLXTMW-UHFFFAOYSA-N -1 3 259.689 1.356 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H](CO)C1 ZINC001233331655 943546714 /nfs/dbraw/zinc/54/67/14/943546714.db2.gz FNORWRCCASOWRG-SECBINFHSA-N -1 3 257.280 1.875 20 10 CDCDHM COC(CN(C)Cc1c([O-])ccc(F)c1F)OC ZINC001233335386 943548404 /nfs/dbraw/zinc/54/84/04/943548404.db2.gz SOFIAMFKUHNOER-UHFFFAOYSA-N -1 3 261.268 1.721 20 10 CDCDHM O=C1CCC2(CCN(Cc3c([O-])ccc(F)c3F)CC2)N1 ZINC001233336265 943548862 /nfs/dbraw/zinc/54/88/62/943548862.db2.gz FYTNXOVJFJVNRO-UHFFFAOYSA-N -1 3 296.317 1.915 20 10 CDCDHM Cc1nnc(CNCc2c([O-])cccc2Cl)n1C ZINC000393249047 944487574 /nfs/dbraw/zinc/48/75/74/944487574.db2.gz WXPRKGRLFLUIKP-UHFFFAOYSA-N -1 3 266.732 1.772 20 10 CDCDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(O)c1O ZINC001258761996 945401265 /nfs/dbraw/zinc/40/12/65/945401265.db2.gz MFFPUGVEZYKQQW-UHFFFAOYSA-N -1 3 298.320 1.181 20 10 CDCDHM CCOc1ccc(C[NH+]2CC(C(=O)[O-])C2)c([O-])c1 ZINC001592448096 951339851 /nfs/dbraw/zinc/33/98/51/951339851.db2.gz WVNJBXWKWCXCID-UHFFFAOYSA-N -1 3 251.282 1.307 20 10 CDCDHM CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H](C)O ZINC001595278882 980315166 /nfs/dbraw/zinc/31/51/66/980315166.db2.gz KRVCWBPGJVDGOI-SBMIAAHKSA-N -1 3 267.325 1.900 20 10 CDCDHM C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239265 994422574 /nfs/dbraw/zinc/42/25/74/994422574.db2.gz CYMKYASSZBDGKU-RFAUZJTJSA-N -1 3 279.336 1.902 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC001599680368 994969631 /nfs/dbraw/zinc/96/96/31/994969631.db2.gz NBWMIFDIJIEJSU-JTQLQIEISA-N -1 3 297.376 1.650 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC001599680368 994969639 /nfs/dbraw/zinc/96/96/39/994969639.db2.gz NBWMIFDIJIEJSU-JTQLQIEISA-N -1 3 297.376 1.650 20 10 CDCDHM C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353616 994982710 /nfs/dbraw/zinc/98/27/10/994982710.db2.gz BSEGZEZETXTINW-ATZCPNFKSA-N -1 3 292.335 1.395 20 10 CDCDHM COCCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599226613 997771211 /nfs/dbraw/zinc/77/12/11/997771211.db2.gz CKBRADYYSDFIIR-VIFPVBQESA-N -1 3 253.298 1.778 20 10 CDCDHM Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1[O-] ZINC000180726983 357286901 /nfs/dbraw/zinc/28/69/01/357286901.db2.gz HTIKETYDZDXWSW-SKDRFNHKSA-N -1 3 298.770 1.429 20 10 CDCDHM CCN(CCS(C)(=O)=O)Cc1cc(F)ccc1[O-] ZINC000180230799 357253711 /nfs/dbraw/zinc/25/37/11/357253711.db2.gz NFNYTJHFGWIRCE-UHFFFAOYSA-N -1 3 275.345 1.398 20 10 CDCDHM CCN1CCCN(Cc2cc(F)ccc2[O-])CC1=O ZINC000191541283 358137106 /nfs/dbraw/zinc/13/71/06/358137106.db2.gz CXZHIVHGHUPTNW-UHFFFAOYSA-N -1 3 266.316 1.586 20 10 CDCDHM C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2[O-])C[C@@H](C)O1 ZINC000111235101 359196971 /nfs/dbraw/zinc/19/69/71/359196971.db2.gz LSVJMRXALDOGIW-CHWSQXEVSA-N -1 3 292.379 1.460 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@@](C)(O)C2)c1[O-] ZINC000227099551 359783872 /nfs/dbraw/zinc/78/38/72/359783872.db2.gz WJQSPKXAZRTNBZ-CQSZACIVSA-N -1 3 267.300 1.691 20 10 CDCDHM C[C@H](NCCS(C)(=O)=O)c1ccc(F)c(F)c1[O-] ZINC000187677101 299300352 /nfs/dbraw/zinc/30/03/52/299300352.db2.gz UWHCHRRWGHOPIH-ZETCQYMHSA-N -1 3 279.308 1.366 20 10 CDCDHM C[C@H](C(=O)NCC(F)(F)F)N(C)Cc1ccccc1[O-] ZINC000269632237 364274292 /nfs/dbraw/zinc/27/42/92/364274292.db2.gz MCCAELYGLPFUNJ-SECBINFHSA-N -1 3 290.285 1.891 20 10 CDCDHM Cc1ccc(C(=O)NCCSCCCO)c([O-])c1O ZINC000271244180 364978308 /nfs/dbraw/zinc/97/83/08/364978308.db2.gz FUSVFGOAAGAUKK-UHFFFAOYSA-N -1 3 285.365 1.252 20 10 CDCDHM CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273377002 365490244 /nfs/dbraw/zinc/49/02/44/365490244.db2.gz HKFOSTNVAMZSPD-NXEZZACHSA-N -1 3 294.351 1.354 20 10 CDCDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000294444593 371366218 /nfs/dbraw/zinc/36/62/18/371366218.db2.gz HGUSXLUJNOLJDO-NSHDSACASA-N -1 3 251.282 1.253 20 10 CDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])C(OC)OC ZINC000298874019 372331940 /nfs/dbraw/zinc/33/19/40/372331940.db2.gz GXMOQCGWOPPXKO-VIFPVBQESA-N -1 3 269.297 1.225 20 10 CDCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1COC[C@H]1O ZINC000295745565 378697264 /nfs/dbraw/zinc/69/72/64/378697264.db2.gz WWEXQWXQMNYWHK-NXEZZACHSA-N -1 3 278.135 1.548 20 10 CDCDHM Cc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c([O-])c1O ZINC000177670522 391174073 /nfs/dbraw/zinc/17/40/73/391174073.db2.gz OBMDQPUJPJUOEF-VHSXEESVSA-N -1 3 265.309 1.656 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)CCCO)c([O-])c1O ZINC000182592593 391236929 /nfs/dbraw/zinc/23/69/29/391236929.db2.gz QOWKVKKWGLGUFY-SECBINFHSA-N -1 3 253.298 1.297 20 10 CDCDHM CCCN(CC(=O)OC)Cc1cc(F)ccc1[O-] ZINC000183248575 391257847 /nfs/dbraw/zinc/25/78/47/391257847.db2.gz RGGSEKGWOWJICM-UHFFFAOYSA-N -1 3 255.289 1.916 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C)c1[O-] ZINC000037323411 173124319 /nfs/dbraw/zinc/12/43/19/173124319.db2.gz SQTQMNBMMJGMJE-VIFPVBQESA-N -1 3 267.300 1.955 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1ncon1 ZINC000185698334 262067408 /nfs/dbraw/zinc/06/74/08/262067408.db2.gz YHPWYCUKEKJHKF-JTQLQIEISA-N -1 3 289.291 1.848 20 10 CDCDHM C[C@@H](NCC(=O)NCC1CC1)c1ccc(F)cc1[O-] ZINC000186505231 327917008 /nfs/dbraw/zinc/91/70/08/327917008.db2.gz KIOOLASGADJZAV-SECBINFHSA-N -1 3 266.316 1.708 20 10 CDCDHM CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H]1OC ZINC000280400170 328235322 /nfs/dbraw/zinc/23/53/22/328235322.db2.gz GYFDPQUMNORHQQ-XWIASGKRSA-N -1 3 281.308 1.020 20 10 CDCDHM CCOC1CC(O)(CNC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000278147103 521652845 /nfs/dbraw/zinc/65/28/45/521652845.db2.gz OBVKYAZURNYDBW-UHFFFAOYSA-N -1 3 295.335 1.066 20 10 CDCDHM COCCN(Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000290328820 523757179 /nfs/dbraw/zinc/75/71/79/523757179.db2.gz DONVHWMFYYYZQY-ZDUSSCGKSA-N -1 3 299.392 1.028 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](CO)CC2CCC2)c([O-])c1O ZINC000280213357 526211284 /nfs/dbraw/zinc/21/12/84/526211284.db2.gz KVUIBCAOQWCTJL-NSHDSACASA-N -1 3 279.336 1.687 20 10 CDCDHM CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000731871742 575067087 /nfs/dbraw/zinc/06/70/87/575067087.db2.gz LWNLNKLJWACRFO-SECBINFHSA-N -1 3 298.364 1.804 20 10 CDCDHM COCCN(CC(F)F)C(=O)c1cc([O-])cs1 ZINC000732287111 575086870 /nfs/dbraw/zinc/08/68/70/575086870.db2.gz PHYXLDBVTVLLNM-UHFFFAOYSA-N -1 3 265.281 1.807 20 10 CDCDHM [O-]c1ccc2ccncc2c1CN1CCn2cnnc2C1 ZINC000732191397 575082862 /nfs/dbraw/zinc/08/28/62/575082862.db2.gz WOWCQQYPSYIJSL-UHFFFAOYSA-N -1 3 281.319 1.548 20 10 CDCDHM C[C@H](N[C@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760041250 576453957 /nfs/dbraw/zinc/45/39/57/576453957.db2.gz XIETWLFTAWTHJL-YUMQZZPRSA-N -1 3 290.266 1.967 20 10 CDCDHM C[C@@H](NCc1ccc(C(N)=O)nc1)c1ccc(F)cc1[O-] ZINC000756639768 576998354 /nfs/dbraw/zinc/99/83/54/576998354.db2.gz CXVJOCMNTIEPJB-SECBINFHSA-N -1 3 289.310 1.876 20 10 CDCDHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(O)cc1F ZINC000758169079 577076703 /nfs/dbraw/zinc/07/67/03/577076703.db2.gz MIRIPKACCUDSGG-SNVBAGLBSA-N -1 3 289.328 1.842 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000820871341 598129837 /nfs/dbraw/zinc/12/98/37/598129837.db2.gz ZCAMCIPOAJXUNH-VIFPVBQESA-N -1 3 251.282 1.307 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000820871341 598129838 /nfs/dbraw/zinc/12/98/38/598129838.db2.gz ZCAMCIPOAJXUNH-VIFPVBQESA-N -1 3 251.282 1.307 20 10 CDCDHM CCN(CC(=O)NC)Cc1cccc(Cl)c1[O-] ZINC000124533527 1175332819 /nfs/dbraw/zinc/33/28/19/1175332819.db2.gz DZXZPNPHGCPUBO-UHFFFAOYSA-N -1 3 256.733 1.614 20 10 CDCDHM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000833554043 604544655 /nfs/dbraw/zinc/54/46/55/604544655.db2.gz MPZDNGSCXGLQNE-SWLSCSKDSA-N -1 3 293.319 1.115 20 10 CDCDHM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000833554043 604544657 /nfs/dbraw/zinc/54/46/57/604544657.db2.gz MPZDNGSCXGLQNE-SWLSCSKDSA-N -1 3 293.319 1.115 20 10 CDCDHM O=C(N=S1(=O)CCOCC1)c1cc([O-])cs1 ZINC000891368561 617368673 /nfs/dbraw/zinc/36/86/73/617368673.db2.gz HWPUYCCZTMMFEM-UHFFFAOYSA-N -1 3 261.324 1.092 20 10 CDCDHM CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000912119393 629792159 /nfs/dbraw/zinc/79/21/59/629792159.db2.gz PDPZARGLIKJCOI-NWDGAFQWSA-N -1 3 279.336 1.863 20 10 CDCDHM Cc1nc(NCc2c(O)cccc2O)ccc1-c1nn[n-]n1 ZINC001592392615 1173879291 /nfs/dbraw/zinc/87/92/91/1173879291.db2.gz QQDKTKRHOOTSMH-UHFFFAOYSA-N -1 3 298.306 1.593 20 10 CDCDHM CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607390173 1164163095 /nfs/dbraw/zinc/16/30/95/1164163095.db2.gz QXHAMPJMSWCOCU-JRKPZEMJSA-N -1 3 299.392 1.853 20 10 CDCDHM O=C(N[C@@H](CO)Cc1ccccc1)c1cccc(O)c1[O-] ZINC000126620079 790345289 /nfs/dbraw/zinc/34/52/89/790345289.db2.gz KBRWBYJFONUXMK-GFCCVEGCSA-N -1 3 287.315 1.431 20 10 CDCDHM Cc1ccc(C(=O)Nc2ccc[nH]c2=O)c([O-])c1O ZINC000780920401 790800822 /nfs/dbraw/zinc/80/08/22/790800822.db2.gz ITKRUQCYNYLTAN-UHFFFAOYSA-N -1 3 260.249 1.759 20 10 CDCDHM CCNC(=O)CN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816493942 791065479 /nfs/dbraw/zinc/06/54/79/791065479.db2.gz SLEQWXRYTFMBIZ-UHFFFAOYSA-N -1 3 274.723 1.753 20 10 CDCDHM CCOC(=O)CCN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000776637914 791085280 /nfs/dbraw/zinc/08/52/80/791085280.db2.gz IFEBTLIAHMAJEI-UHFFFAOYSA-N -1 3 293.319 1.656 20 10 CDCDHM Cc1sc(C(N)=O)cc1NC(=O)c1cccc(O)c1[O-] ZINC000790893288 791314023 /nfs/dbraw/zinc/31/40/23/791314023.db2.gz GIFHMPJPHUYMKL-UHFFFAOYSA-N -1 3 292.316 1.819 20 10 CDCDHM C[C@H]1CC2(CC(NC(=O)c3cccc(O)c3[O-])C2)CO1 ZINC000888724075 791420900 /nfs/dbraw/zinc/42/09/00/791420900.db2.gz WQDQTISWUVJVKQ-YLTRJXTNSA-N -1 3 277.320 1.785 20 10 CDCDHM CC(=O)N[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708398579 791745010 /nfs/dbraw/zinc/74/50/10/791745010.db2.gz HOANMBFHSYVYKA-NSHDSACASA-N -1 3 270.279 1.381 20 10 CDCDHM Cc1cc([O-])c(CN2CC(=O)N[C@H](C)C2)cc1Cl ZINC000826064616 792350239 /nfs/dbraw/zinc/35/02/39/792350239.db2.gz MLZYDTTVAZIJQW-SECBINFHSA-N -1 3 268.744 1.674 20 10 CDCDHM C[C@H]1C(=O)NCCN1Cc1ccc(Br)cc1[O-] ZINC000824645924 793143647 /nfs/dbraw/zinc/14/36/47/793143647.db2.gz TVWNTKLYNPZROC-QMMMGPOBSA-N -1 3 299.168 1.475 20 10 CDCDHM O=C(NCC1(CO)CCCCC1)c1cccc(O)c1[O-] ZINC000126634883 793807925 /nfs/dbraw/zinc/80/79/25/793807925.db2.gz WZPFTUAGPSCHTO-UHFFFAOYSA-N -1 3 279.336 1.770 20 10 CDCDHM COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C ZINC000787499849 793955886 /nfs/dbraw/zinc/95/58/86/793955886.db2.gz AZWUZMMEODKNCX-RKDXNWHRSA-N -1 3 279.292 1.121 20 10 CDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCO1 ZINC000187206111 794013168 /nfs/dbraw/zinc/01/31/68/794013168.db2.gz LTKSMXWFCDMRMU-JQWIXIFHSA-N -1 3 265.309 1.785 20 10 CDCDHM Cc1cc(C)c(CNC(=O)c2cccc(O)c2[O-])c(=O)[nH]1 ZINC000776322156 794061633 /nfs/dbraw/zinc/06/16/33/794061633.db2.gz WVJMTGLBGFPGLB-UHFFFAOYSA-N -1 3 288.303 1.745 20 10 CDCDHM CCN(CC(N)=O)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000188464252 795491945 /nfs/dbraw/zinc/49/19/45/795491945.db2.gz IPOIFDJUKBMIBA-UHFFFAOYSA-N -1 3 268.288 1.041 20 10 CDCDHM CC(C)(O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000719641252 796188766 /nfs/dbraw/zinc/18/87/66/796188766.db2.gz ZLYGWFDXHDPGPX-SNVBAGLBSA-N -1 3 279.336 1.721 20 10 CDCDHM CC[C@@H](NCc1nnn(C)n1)c1cc(Cl)ccc1[O-] ZINC000787042979 796416810 /nfs/dbraw/zinc/41/68/10/796416810.db2.gz QSWNPYSPJIDFST-SNVBAGLBSA-N -1 3 281.747 1.810 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCO[C@H]2C[C@@H](CO)C[C@@H]21 ZINC001137832968 936418219 /nfs/dbraw/zinc/41/82/19/936418219.db2.gz OALDMTYMLIJFNS-XEGUGMAKSA-N -1 3 281.327 1.503 20 10 CDCDHM CN1CCCN(Cc2c([O-])cccc2F)CC1=O ZINC001137837465 936418724 /nfs/dbraw/zinc/41/87/24/936418724.db2.gz HWZVNBMKNYRIBQ-UHFFFAOYSA-N -1 3 252.289 1.195 20 10 CDCDHM [O-]c1c(F)cccc1CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001138123723 936473750 /nfs/dbraw/zinc/47/37/50/936473750.db2.gz IZAPDJJDUSYYFO-KOLCDFICSA-N -1 3 273.254 1.997 20 10 CDCDHM CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cccc(O)c1[O-] ZINC000832645617 936589548 /nfs/dbraw/zinc/58/95/48/936589548.db2.gz MRUHBPIOOBHIOI-LLVKDONJSA-N -1 3 293.319 1.559 20 10 CDCDHM [O-]c1cccc(Br)c1CN1C[C@@H](O)[C@@H](F)C1 ZINC001140098935 936678373 /nfs/dbraw/zinc/67/83/73/936678373.db2.gz ULIORYCMLIWZNK-GXSJLCMTSA-N -1 3 290.132 1.669 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCN(C2COC2)CC1 ZINC001140338161 936703016 /nfs/dbraw/zinc/70/30/16/936703016.db2.gz XSBHPUZJWUIVLG-UHFFFAOYSA-N -1 3 282.771 1.562 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCN1C ZINC001140465640 936712218 /nfs/dbraw/zinc/71/22/18/936712218.db2.gz PBQWPTSJFDQGSU-GFCCVEGCSA-N -1 3 298.770 1.335 20 10 CDCDHM O=C(NC[C@H](O)c1ccc(O)cc1)c1cccc(O)c1[O-] ZINC001148219848 932669780 /nfs/dbraw/zinc/66/97/80/932669780.db2.gz BLHDMGYWPAAUDV-ZDUSSCGKSA-N -1 3 289.287 1.267 20 10 CDCDHM Cc1nc2c(o1)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001148219209 932670739 /nfs/dbraw/zinc/67/07/39/932670739.db2.gz WTSRFBGHKVOMNZ-UHFFFAOYSA-N -1 3 274.276 1.593 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@](F)(CO)CC1 ZINC001148582531 932751156 /nfs/dbraw/zinc/75/11/56/932751156.db2.gz JXWFKCSFNLSLEF-AWEZNQCLSA-N -1 3 299.298 1.130 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC001231448787 942895142 /nfs/dbraw/zinc/89/51/42/942895142.db2.gz BYAZIALMLSMMML-HNNXBMFYSA-N -1 3 277.320 1.703 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC001231448787 942895147 /nfs/dbraw/zinc/89/51/47/942895147.db2.gz BYAZIALMLSMMML-HNNXBMFYSA-N -1 3 277.320 1.703 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCCC[C@@H](O)C2)c1 ZINC001231561792 942927927 /nfs/dbraw/zinc/92/79/27/942927927.db2.gz ZSEKZCLCJOOPKD-GFCCVEGCSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCCC[C@@H](O)C2)c1 ZINC001231561792 942927931 /nfs/dbraw/zinc/92/79/31/942927931.db2.gz ZSEKZCLCJOOPKD-GFCCVEGCSA-N -1 3 265.309 1.437 20 10 CDCDHM [O-]c1cc(O)c(CN2CC3(CC(O)C3)C2)cc1Cl ZINC001232260893 943192832 /nfs/dbraw/zinc/19/28/32/943192832.db2.gz SJXWTPLDRDEURY-UHFFFAOYSA-N -1 3 269.728 1.708 20 10 CDCDHM COc1cc([O-])c(CN2CC[C@@H](O)[C@H](F)C2)cc1Cl ZINC001232267176 943196663 /nfs/dbraw/zinc/19/66/63/943196663.db2.gz YZRBXLRJXAGQRO-GHMZBOCLSA-N -1 3 289.734 1.959 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCC(CO)CC1 ZINC001233332409 943546823 /nfs/dbraw/zinc/54/68/23/943546823.db2.gz KECGFBWTTYJKNU-UHFFFAOYSA-N -1 3 257.280 1.875 20 10 CDCDHM NC(=O)[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800032 944954013 /nfs/dbraw/zinc/95/40/13/944954013.db2.gz VFDBHVHYGNMZIG-MRVPVSSYSA-N -1 3 286.734 1.882 20 10 CDCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cnccn1 ZINC001320979101 959501333 /nfs/dbraw/zinc/50/13/33/959501333.db2.gz YUINSYLTHYHGMT-UHFFFAOYSA-N -1 3 275.655 1.919 20 10 CDCDHM Cc1nc([C@H](C)NC(=O)c2cccc(O)c2[O-])no1 ZINC001344117443 964236606 /nfs/dbraw/zinc/23/66/06/964236606.db2.gz YIZAXQIXKUJDSC-LURJTMIESA-N -1 3 263.253 1.280 20 10 CDCDHM C[C@H]([NH2+]CCCCCO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593263991 994561704 /nfs/dbraw/zinc/56/17/04/994561704.db2.gz DNHSBZGLYCQBIX-JTQLQIEISA-N -1 3 267.325 1.904 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2C[C@@H](O)C2(C)C)c([O-])c1O ZINC000190590340 358082568 /nfs/dbraw/zinc/08/25/68/358082568.db2.gz IXEQGFHEWLUUFR-VHSXEESVSA-N -1 3 265.309 1.295 20 10 CDCDHM COCC1(O)CN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000297401325 200176546 /nfs/dbraw/zinc/17/65/46/200176546.db2.gz CDOBBZNDKXYNHE-UHFFFAOYSA-N -1 3 287.743 1.247 20 10 CDCDHM Cc1ccc(C(=O)N2CCC3(CC2)OCCO3)c([O-])c1O ZINC000267620193 363859651 /nfs/dbraw/zinc/85/96/51/363859651.db2.gz UPLKROPFMGYKQR-UHFFFAOYSA-N -1 3 293.319 1.385 20 10 CDCDHM O=C(NCc1noc2c1CCCC2)c1cccc(O)c1[O-] ZINC000288028794 369386948 /nfs/dbraw/zinc/38/69/48/369386948.db2.gz AGRKJWXCWPZBEU-UHFFFAOYSA-N -1 3 288.303 1.895 20 10 CDCDHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295217171 371154933 /nfs/dbraw/zinc/15/49/33/371154933.db2.gz XVSUYAINPCNVCD-LDYMZIIASA-N -1 3 294.326 1.449 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@H](C)C[C@@H](C)O)c([O-])c1O ZINC000179512727 391208665 /nfs/dbraw/zinc/20/86/65/391208665.db2.gz LSUBQQJLDUBVKJ-WCBMZHEXSA-N -1 3 267.325 1.543 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@](C)(O)c2ccco2)c([O-])c1O ZINC000179529227 391209653 /nfs/dbraw/zinc/20/96/53/391209653.db2.gz CNVJHTDHJFBOFR-OAHLLOKOSA-N -1 3 291.303 1.637 20 10 CDCDHM CN(C)C[C@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000183399938 391263811 /nfs/dbraw/zinc/26/38/11/391263811.db2.gz XRTGWODMGRBYTJ-LBPRGKRZSA-N -1 3 284.787 1.808 20 10 CDCDHM CO[C@H]1COC[C@@H]1NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000290211476 263115490 /nfs/dbraw/zinc/11/54/90/263115490.db2.gz VEIPTNMQMYGMLH-STQMWFEESA-N -1 3 299.754 1.752 20 10 CDCDHM C[C@@H]([NH2+]CCC(C)(C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960874 1173212907 /nfs/dbraw/zinc/21/29/07/1173212907.db2.gz HUFCYNYLPIMKRE-SECBINFHSA-N -1 3 291.355 1.384 20 10 CDCDHM O=C(N[C@H]1CCN(c2ccccn2)C1)c1cccc(O)c1[O-] ZINC000185886095 327849803 /nfs/dbraw/zinc/84/98/03/327849803.db2.gz ICPQKWABXIRCNL-NSHDSACASA-N -1 3 299.330 1.502 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C(N)=O)c1[O-] ZINC000050147463 518283861 /nfs/dbraw/zinc/28/38/61/518283861.db2.gz HDIWCQMFRYFRCB-ZDUSSCGKSA-N -1 3 294.326 1.574 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(CC(N)=O)C(C)C)c1[O-] ZINC000050147078 518284214 /nfs/dbraw/zinc/28/42/14/518284214.db2.gz RBNVYUVHCYPLKV-UHFFFAOYSA-N -1 3 282.315 1.430 20 10 CDCDHM COC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCO1 ZINC000278591111 522749217 /nfs/dbraw/zinc/74/92/17/522749217.db2.gz GYEMRFQJSCGUCX-JSGCOSHPSA-N -1 3 296.323 1.584 20 10 CDCDHM C[C@H]1CCN(Cc2ccccc2[O-])CCS1(=O)=O ZINC000192050397 524298371 /nfs/dbraw/zinc/29/83/71/524298371.db2.gz BDNUFHCUOHNMAU-NSHDSACASA-N -1 3 269.366 1.401 20 10 CDCDHM O=C(NCCCOC1CCOCC1)c1cccc(O)c1[O-] ZINC000275158136 527684054 /nfs/dbraw/zinc/68/40/54/527684054.db2.gz UDUOLMIGBFSRLJ-UHFFFAOYSA-N -1 3 295.335 1.413 20 10 CDCDHM Cc1cc(NC(=O)CN(C)C(=O)c2cc([O-])cs2)no1 ZINC000731869163 575068918 /nfs/dbraw/zinc/06/89/18/575068918.db2.gz AIIJEHSFOJGWGE-UHFFFAOYSA-N -1 3 295.320 1.461 20 10 CDCDHM Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc([O-])cs1)C2 ZINC000732266982 575084751 /nfs/dbraw/zinc/08/47/51/575084751.db2.gz SIKLXJHSGMPNLG-JTQLQIEISA-N -1 3 289.360 1.839 20 10 CDCDHM C[C@H](NC(=O)c1cc([O-])cs1)C(=O)N1CCCC[C@@H]1C ZINC000732282340 575086598 /nfs/dbraw/zinc/08/65/98/575086598.db2.gz MKANVABJCNHXFY-UWVGGRQHSA-N -1 3 296.392 1.973 20 10 CDCDHM CC(C)[N@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000833497187 604543852 /nfs/dbraw/zinc/54/38/52/604543852.db2.gz TUENLVUCIGEMTC-CYBMUJFWSA-N -1 3 295.335 1.503 20 10 CDCDHM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000833497187 604543854 /nfs/dbraw/zinc/54/38/54/604543854.db2.gz TUENLVUCIGEMTC-CYBMUJFWSA-N -1 3 295.335 1.503 20 10 CDCDHM CC(C)NC(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840891366 617635088 /nfs/dbraw/zinc/63/50/88/617635088.db2.gz RIVGXKYTKDFFMD-ZJUUUORDSA-N -1 3 295.339 1.864 20 10 CDCDHM Cc1ccc(-c2nnn[n-]2)c(NCc2cc(O)ccc2O)n1 ZINC001605785970 1163670272 /nfs/dbraw/zinc/67/02/72/1163670272.db2.gz SNAHSTPREIXXRN-UHFFFAOYSA-N -1 3 298.306 1.593 20 10 CDCDHM Cc1ccc(-c2nn[n-]n2)c(NCc2cc(O)ccc2O)n1 ZINC001605785970 1163670275 /nfs/dbraw/zinc/67/02/75/1163670275.db2.gz SNAHSTPREIXXRN-UHFFFAOYSA-N -1 3 298.306 1.593 20 10 CDCDHM C[C@H]([NH2+]CCN1CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609782309 1165079758 /nfs/dbraw/zinc/07/97/58/1165079758.db2.gz ZKYGZHZXIWFKEP-JTQLQIEISA-N -1 3 264.325 1.447 20 10 CDCDHM O=C1CCC2(CCN(Cc3c([O-])cc(F)cc3F)CC2)N1 ZINC001140585726 1167051520 /nfs/dbraw/zinc/05/15/20/1167051520.db2.gz SBEHZXBYYZJASH-UHFFFAOYSA-N -1 3 296.317 1.915 20 10 CDCDHM Cc1nccnc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001651402569 1171320539 /nfs/dbraw/zinc/32/05/39/1171320539.db2.gz RGQJDHFLMBLVBI-VIFPVBQESA-N -1 3 273.292 1.687 20 10 CDCDHM Cc1cc(-c2nnn[n-]2)cc(NCc2ccccc2O)n1 ZINC001591858489 1173722548 /nfs/dbraw/zinc/72/25/48/1173722548.db2.gz BTAISYYCUWVPDP-UHFFFAOYSA-N -1 3 282.307 1.888 20 10 CDCDHM Cc1cc(-c2nn[n-]n2)cc(NCc2ccccc2O)n1 ZINC001591858489 1173722554 /nfs/dbraw/zinc/72/25/54/1173722554.db2.gz BTAISYYCUWVPDP-UHFFFAOYSA-N -1 3 282.307 1.888 20 10 CDCDHM C[C@H]([NH2+]CCc1ccnn1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779575 1165077582 /nfs/dbraw/zinc/07/75/82/1165077582.db2.gz MVURUYDQOQXGRL-JTQLQIEISA-N -1 3 289.335 1.717 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](CO)O1 ZINC000191528104 796472239 /nfs/dbraw/zinc/47/22/39/796472239.db2.gz ZKWDGRYFFMKPII-BXKDBHETSA-N -1 3 255.289 1.113 20 10 CDCDHM COCc1nnc(C[NH2+][C@@H](C)c2c([O-])cccc2F)[n-]1 ZINC000886636343 796713926 /nfs/dbraw/zinc/71/39/26/796713926.db2.gz LTBBKQIIKYOITC-QMMMGPOBSA-N -1 3 280.303 1.647 20 10 CDCDHM CC1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000846231705 796862565 /nfs/dbraw/zinc/86/25/65/796862565.db2.gz NQMKYCVEGLZJHN-UHFFFAOYSA-N -1 3 290.323 1.365 20 10 CDCDHM CN(Cc1nnc[nH]1)Cc1cccc(Br)c1[O-] ZINC000179795137 796937657 /nfs/dbraw/zinc/93/76/57/796937657.db2.gz RWJJFTUPSITXJZ-UHFFFAOYSA-N -1 3 297.156 1.905 20 10 CDCDHM O=C(N[C@@H]1CCCCC12OCCO2)c1cccc(O)c1[O-] ZINC000715925535 796997543 /nfs/dbraw/zinc/99/75/43/796997543.db2.gz RRTJNASUKOYGSO-GFCCVEGCSA-N -1 3 293.319 1.513 20 10 CDCDHM O=C(NCCO[C@@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000854552437 797677922 /nfs/dbraw/zinc/67/79/22/797677922.db2.gz TYVRHXFXVMFUOK-GFCCVEGCSA-N -1 3 281.308 1.371 20 10 CDCDHM Nc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000238120385 797840719 /nfs/dbraw/zinc/84/07/19/797840719.db2.gz SIZUZBIZXWUMBD-UHFFFAOYSA-N -1 3 285.229 1.587 20 10 CDCDHM Nc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000238120385 797840720 /nfs/dbraw/zinc/84/07/20/797840720.db2.gz SIZUZBIZXWUMBD-UHFFFAOYSA-N -1 3 285.229 1.587 20 10 CDCDHM Cc1nnc(N(C)C(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000794027801 797894438 /nfs/dbraw/zinc/89/44/38/797894438.db2.gz WFRXHONDISRDCY-UHFFFAOYSA-N -1 3 279.321 1.843 20 10 CDCDHM COc1c([O-])c(CNc2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000775052165 798035043 /nfs/dbraw/zinc/03/50/43/798035043.db2.gz UCBAQPPTHIVMAN-UHFFFAOYSA-N -1 3 292.295 1.963 20 10 CDCDHM CN(CCOC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000690000966 909123786 /nfs/dbraw/zinc/12/37/86/909123786.db2.gz WWSRTYRKSBFQBX-UHFFFAOYSA-N -1 3 267.325 1.985 20 10 CDCDHM CO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000229413178 912125784 /nfs/dbraw/zinc/12/57/84/912125784.db2.gz IGXHKEWYKVLCBC-GHMZBOCLSA-N -1 3 265.309 1.641 20 10 CDCDHM Cc1oncc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC001187412174 920532191 /nfs/dbraw/zinc/53/21/91/920532191.db2.gz 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COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445897 942891853 /nfs/dbraw/zinc/89/18/53/942891853.db2.gz CJPZVYDFKFHCEO-GFCCVEGCSA-N -1 3 293.319 1.475 20 10 CDCDHM O=C([O-])c1ccc(O)c(CN2CC(N3CCCCC3)C2)c1 ZINC001231565188 942929833 /nfs/dbraw/zinc/92/98/33/942929833.db2.gz AHAFKPWTAXZDKM-UHFFFAOYSA-N -1 3 290.363 1.761 20 10 CDCDHM C[C@@]1(CO)CN(Cc2c([O-])ccc(F)c2F)CC[C@H]1O ZINC001233332804 943545918 /nfs/dbraw/zinc/54/59/18/943545918.db2.gz YACCPBARVLAEHE-OCCSQVGLSA-N -1 3 287.306 1.236 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](F)[C@H](O)C1 ZINC001233331985 943546438 /nfs/dbraw/zinc/54/64/38/943546438.db2.gz SMBJMBOQJSXNKX-GZMMTYOYSA-N -1 3 261.243 1.575 20 10 CDCDHM C[C@]1(CO)CCN(Cc2c([O-])ccc(F)c2F)C[C@@H]1O ZINC001233332421 943547204 /nfs/dbraw/zinc/54/72/04/943547204.db2.gz KSZGRGVDLPMEOZ-GXTWGEPZSA-N -1 3 287.306 1.236 20 10 CDCDHM CC(=O)N[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335705 943549313 /nfs/dbraw/zinc/54/93/13/943549313.db2.gz 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/nfs/dbraw/zinc/12/76/31/575127631.db2.gz LVCFCHXPFDHUJO-UHFFFAOYSA-N -1 3 271.294 1.453 20 10 CDCDHM COc1c([O-])c(CN2CC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000774904143 575249833 /nfs/dbraw/zinc/24/98/33/575249833.db2.gz CGAWOFSPXHCKNM-SNVBAGLBSA-N -1 3 282.296 1.530 20 10 CDCDHM COc1cccc([O-])c1CN(C)CC(=O)N1CCCC1 ZINC000768215166 576265050 /nfs/dbraw/zinc/26/50/50/576265050.db2.gz QQXLQSCWUFMKJD-UHFFFAOYSA-N -1 3 278.352 1.455 20 10 CDCDHM CCCN(CC(=O)OC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440673 576282777 /nfs/dbraw/zinc/28/27/77/576282777.db2.gz XXLRQDUEKPWCJQ-CYBMUJFWSA-N -1 3 295.335 1.203 20 10 CDCDHM CC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768441871 576283140 /nfs/dbraw/zinc/28/31/40/576283140.db2.gz PTHWYVRUQWGSOU-RISCZKNCSA-N -1 3 279.336 1.429 20 10 CDCDHM CC1(C)OC[C@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000769218420 576338384 /nfs/dbraw/zinc/33/83/84/576338384.db2.gz VPZXAPUNFONYIP-QMMMGPOBSA-N -1 3 257.311 1.335 20 10 CDCDHM C[C@H](CCS(C)(=O)=O)NC(=O)c1cc([O-])cs1 ZINC000762579831 576656025 /nfs/dbraw/zinc/65/60/25/576656025.db2.gz WBMHOJAYCJCVCP-SSDOTTSWSA-N -1 3 277.367 1.007 20 10 CDCDHM O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc([O-])cs1 ZINC000748319631 576904853 /nfs/dbraw/zinc/90/48/53/576904853.db2.gz FLSUFCQWBZZVFW-BDAKNGLRSA-N -1 3 255.339 1.735 20 10 CDCDHM C[C@H](Nc1cnn(CCO)c1)c1cc(F)ccc1[O-] ZINC000756853932 577009492 /nfs/dbraw/zinc/00/94/92/577009492.db2.gz AUDQMTIPBOEVTP-VIFPVBQESA-N -1 3 265.288 1.893 20 10 CDCDHM COC[C@H]1C[C@@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895136268 619338574 /nfs/dbraw/zinc/33/85/74/619338574.db2.gz DIISHSWKRMXOLY-GHMZBOCLSA-N -1 3 273.279 1.252 20 10 CDCDHM C[C@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000895328909 619567802 /nfs/dbraw/zinc/56/78/02/619567802.db2.gz HLFXFETWLAVVRW-ZWNOBZJWSA-N -1 3 289.734 1.502 20 10 CDCDHM Cc1nc2cncc(NCC(=O)c3ccc([O-])c(O)c3)c2[nH]1 ZINC001170323030 1162336924 /nfs/dbraw/zinc/33/69/24/1162336924.db2.gz UIMQXVNPAMHCCZ-UHFFFAOYSA-N -1 3 298.302 1.972 20 10 CDCDHM C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604363585 1163164702 /nfs/dbraw/zinc/16/47/02/1163164702.db2.gz JVTMNFZEJOKLAW-FXPVBKGRSA-N -1 3 265.309 1.512 20 10 CDCDHM CCCn1cc(NC(=O)c2cccc(O)c2[O-])ccc1=O ZINC000790546928 1162160688 /nfs/dbraw/zinc/16/06/88/1162160688.db2.gz RWAGYDOACFONGS-UHFFFAOYSA-N -1 3 288.303 1.922 20 10 CDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ncc[nH]1 ZINC000126559787 1166047351 /nfs/dbraw/zinc/04/73/51/1166047351.db2.gz USLFRPSGQRYZAA-VIFPVBQESA-N -1 3 261.281 1.702 20 10 CDCDHM C[C@H]([NH2+]CCn1cccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589965596 1173216441 /nfs/dbraw/zinc/21/64/41/1173216441.db2.gz LSBZWJWNPOKCPK-JTQLQIEISA-N -1 3 299.338 1.120 20 10 CDCDHM O=C([O-])c1cn([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)nn1 ZINC001602498623 1175261204 /nfs/dbraw/zinc/26/12/04/1175261204.db2.gz DIVWWHJNLGLVAT-NSHDSACASA-N -1 3 288.307 1.129 20 10 CDCDHM O=C([O-])c1cn([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nn1 ZINC001602498623 1175261208 /nfs/dbraw/zinc/26/12/08/1175261208.db2.gz DIVWWHJNLGLVAT-NSHDSACASA-N -1 3 288.307 1.129 20 10 CDCDHM CCOc1cccc(CN[C@@H](CF)C(=O)[O-])c1O ZINC001610045616 1165195919 /nfs/dbraw/zinc/19/59/19/1165195919.db2.gz YEUDMKKXENHQBT-VIFPVBQESA-N -1 3 257.261 1.303 20 10 CDCDHM CN(Cc1cccn1C)C(=O)c1cccc(O)c1[O-] ZINC000790886589 812392509 /nfs/dbraw/zinc/39/25/09/812392509.db2.gz MOCPSCOQGPCNIJ-UHFFFAOYSA-N -1 3 260.293 1.709 20 10 CDCDHM C[C@@H]1SCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000310454734 805010075 /nfs/dbraw/zinc/01/00/75/805010075.db2.gz CONJKHWLVGKLLO-CBAPKCEASA-N -1 3 253.323 1.722 20 10 CDCDHM NC(=O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000162032930 811509249 /nfs/dbraw/zinc/50/92/49/811509249.db2.gz HYMQWKIPRMBLKR-NSHDSACASA-N -1 3 268.744 1.885 20 10 CDCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])c(OC)n1 ZINC000790591436 811532990 /nfs/dbraw/zinc/53/29/90/811532990.db2.gz NPFPMNSAERMKPN-UHFFFAOYSA-N -1 3 290.275 1.762 20 10 CDCDHM CC(C)OC(=O)CC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000792597049 811830903 /nfs/dbraw/zinc/83/09/03/811830903.db2.gz FLQGWYADFFAAHD-JTQLQIEISA-N -1 3 295.335 1.948 20 10 CDCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1cnn(C)c1 ZINC000885424025 812008604 /nfs/dbraw/zinc/00/86/04/812008604.db2.gz JCWOZZRPQJQGRV-CYBMUJFWSA-N -1 3 289.335 1.958 20 10 CDCDHM Cc1cc([O-])c(CN2CCO[C@@H](CO)C2)cc1Cl ZINC000824782861 812800828 /nfs/dbraw/zinc/80/08/28/812800828.db2.gz NVMCUSFRQVRIGV-LLVKDONJSA-N -1 3 271.744 1.547 20 10 CDCDHM NC(=O)[C@H]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000817624406 812834019 /nfs/dbraw/zinc/83/40/19/812834019.db2.gz CHNDMCUIRDEAPX-MGCOHNPYSA-N -1 3 292.335 1.119 20 10 CDCDHM Cn1nc(CNC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000790933008 814381015 /nfs/dbraw/zinc/38/10/15/814381015.db2.gz NNIARIOXSGMKEE-UHFFFAOYSA-N -1 3 297.314 1.915 20 10 CDCDHM C[C@](O)(CNC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000185770713 814561171 /nfs/dbraw/zinc/56/11/71/814561171.db2.gz XBUHZVXDRHKWBL-AWEZNQCLSA-N -1 3 277.276 1.328 20 10 CDCDHM CO[C@H]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000790916527 814673126 /nfs/dbraw/zinc/67/31/26/814673126.db2.gz TVFCJOXPTJIWFZ-SKDRFNHKSA-N -1 3 265.309 1.643 20 10 CDCDHM COC(=O)[C@H](C)NCc1c([O-])cccc1Br ZINC000706863888 817036527 /nfs/dbraw/zinc/03/65/27/817036527.db2.gz XKCXQJGUMGNSKQ-ZETCQYMHSA-N -1 3 288.141 1.806 20 10 CDCDHM Cc1ncsc1CNC(=O)c1cccc(O)c1[O-] ZINC000126408260 817538047 /nfs/dbraw/zinc/53/80/47/817538047.db2.gz MQINTMRHPOYRDA-UHFFFAOYSA-N -1 3 264.306 1.793 20 10 CDCDHM [O-]c1cccc(Br)c1CN1CC(CO)C1 ZINC001140100855 936679028 /nfs/dbraw/zinc/67/90/28/936679028.db2.gz DHBHYNDKRKHZBC-UHFFFAOYSA-N -1 3 272.142 1.579 20 10 CDCDHM O=C(c1ccc([O-])c(O)c1Cl)N1CCCCO1 ZINC001193210171 923533391 /nfs/dbraw/zinc/53/33/91/923533391.db2.gz VITQWFFHNJVFQV-UHFFFAOYSA-N -1 3 257.673 1.919 20 10 CDCDHM COCCOC1CN(Cc2cc(F)ccc2[O-])C1 ZINC000838986723 936899238 /nfs/dbraw/zinc/89/92/38/936899238.db2.gz KDCYLLXVISRKRK-UHFFFAOYSA-N -1 3 255.289 1.379 20 10 CDCDHM C[C@@H](COCC1CC1)NC(=O)c1cccc(O)c1[O-] ZINC000846526602 932057676 /nfs/dbraw/zinc/05/76/76/932057676.db2.gz BTOHTVMXPRWEHV-VIFPVBQESA-N -1 3 265.309 1.643 20 10 CDCDHM O=C(Nc1cccn2nccc12)c1cccc(O)c1[O-] ZINC001148211991 932669084 /nfs/dbraw/zinc/66/90/84/932669084.db2.gz GTSVBANTEVSVSX-UHFFFAOYSA-N -1 3 269.260 1.998 20 10 CDCDHM C[C@H]1C[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)CC[C@H]2O1 ZINC001148582895 932750499 /nfs/dbraw/zinc/75/04/99/932750499.db2.gz PQLNLUOVDQOZFM-GMOODISLSA-N -1 3 293.319 1.443 20 10 CDCDHM Nc1ncc(Cl)nc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581159 932750858 /nfs/dbraw/zinc/75/08/58/932750858.db2.gz MTVAYBALOGUJGC-UHFFFAOYSA-N -1 3 296.670 1.081 20 10 CDCDHM CC1CC(N(C)C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148582258 932751510 /nfs/dbraw/zinc/75/15/10/932751510.db2.gz HOXDRXFFEPVMRQ-UHFFFAOYSA-N -1 3 251.282 1.674 20 10 CDCDHM C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)[C@@H]1CCCO1 ZINC001148591387 932754592 /nfs/dbraw/zinc/75/45/92/932754592.db2.gz YWBQRGSYMVVGQA-CPCISQLKSA-N -1 3 267.281 1.101 20 10 CDCDHM CC(C)[C@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000193100089 934663114 /nfs/dbraw/zinc/66/31/14/934663114.db2.gz PPNIZZMJLORJKU-CYBMUJFWSA-N -1 3 253.298 1.235 20 10 CDCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC3COC3)cccc21 ZINC001226380111 941994924 /nfs/dbraw/zinc/99/49/24/941994924.db2.gz NOHYKRYKQSNHJG-UHFFFAOYSA-N -1 3 296.278 1.945 20 10 CDCDHM C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446825 942891069 /nfs/dbraw/zinc/89/10/69/942891069.db2.gz LFCMTJLAOUOPEN-LDYMZIIASA-N -1 3 251.282 1.046 20 10 CDCDHM C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446825 942891076 /nfs/dbraw/zinc/89/10/76/942891076.db2.gz LFCMTJLAOUOPEN-LDYMZIIASA-N -1 3 251.282 1.046 20 10 CDCDHM O=C([O-])c1ccc(C[NH+]2CCC(O)CC2)c([O-])c1 ZINC001231448810 942893191 /nfs/dbraw/zinc/89/31/91/942893191.db2.gz PZMDOSMUCVFMOQ-UHFFFAOYSA-N -1 3 251.282 1.047 20 10 CDCDHM COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563513 942928588 /nfs/dbraw/zinc/92/85/88/942928588.db2.gz BYUGXEGHUTUNRW-LBPRGKRZSA-N -1 3 293.319 1.618 20 10 CDCDHM COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563513 942928597 /nfs/dbraw/zinc/92/85/97/942928597.db2.gz BYUGXEGHUTUNRW-LBPRGKRZSA-N -1 3 293.319 1.618 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(COC3)CC2)c1 ZINC001231561991 942929058 /nfs/dbraw/zinc/92/90/58/942929058.db2.gz YMLVOIZQMXZMGE-UHFFFAOYSA-N -1 3 277.320 1.703 20 10 CDCDHM CC(=O)N1CC[C@H](CN(C)C(=O)c2cccc(O)c2[O-])C1 ZINC001326766538 954534893 /nfs/dbraw/zinc/53/48/93/954534893.db2.gz WVYUTMZEPKNMLY-LLVKDONJSA-N -1 3 292.335 1.038 20 10 CDCDHM C[C@@H]([NH2+]CCC(=O)NCCC(=O)[O-])c1ccccc1[O-] ZINC001593259930 994543324 /nfs/dbraw/zinc/54/33/24/994543324.db2.gz CATIDDHERYQNIR-SNVBAGLBSA-N -1 3 280.324 1.024 20 10 CDCDHM NC(=O)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180023645 357236881 /nfs/dbraw/zinc/23/68/81/357236881.db2.gz QEODUJISZVYJQY-UHFFFAOYSA-N -1 3 267.304 1.118 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CC[C@@H](O)C2)c([O-])c1O ZINC000191344083 358127856 /nfs/dbraw/zinc/12/78/56/358127856.db2.gz ASFMCGCUAFODBD-VHSXEESVSA-N -1 3 265.309 1.297 20 10 CDCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)O1 ZINC000193063063 358261288 /nfs/dbraw/zinc/26/12/88/358261288.db2.gz QRWKVVRUYLIGCD-NXEZZACHSA-N -1 3 265.309 1.737 20 10 CDCDHM C[C@@H](O)c1cn(C2CN(Cc3cc(F)ccc3[O-])C2)nn1 ZINC000374798620 370756601 /nfs/dbraw/zinc/75/66/01/370756601.db2.gz HQGXZFKLSNZTJT-SECBINFHSA-N -1 3 292.314 1.233 20 10 CDCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](CO)C1 ZINC000271179295 364962768 /nfs/dbraw/zinc/96/27/68/364962768.db2.gz LQCJQJCLWIYZOZ-SECBINFHSA-N -1 3 257.717 1.239 20 10 CDCDHM CCC(CC)(CO)CNC(=O)c1cccc(O)c1[O-] ZINC000193146915 365382817 /nfs/dbraw/zinc/38/28/17/365382817.db2.gz VUPOFMRIZOUIAP-UHFFFAOYSA-N -1 3 267.325 1.626 20 10 CDCDHM Cc1ccc(C(=O)N2C[C@@H](O)C(C)(C)C2)c([O-])c1O ZINC000279779408 367131492 /nfs/dbraw/zinc/13/14/92/367131492.db2.gz NOFBQCZRKWEFPI-SNVBAGLBSA-N -1 3 265.309 1.249 20 10 CDCDHM C[C@H](NCc1cc(F)ccc1[O-])c1ncn(C)n1 ZINC000276302674 371206971 /nfs/dbraw/zinc/20/69/71/371206971.db2.gz UYCGNDJOSPNIGK-QMMMGPOBSA-N -1 3 250.277 1.511 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@]3(CCOC3)C2)c([O-])c1O ZINC000179543359 372994101 /nfs/dbraw/zinc/99/41/01/372994101.db2.gz PILJWHRSMNBRRA-OAHLLOKOSA-N -1 3 277.320 1.659 20 10 CDCDHM Cc1ccc(C(=O)NC[C@@]2(O)CCC[C@@H]2C)c([O-])c1O ZINC000294324077 378629028 /nfs/dbraw/zinc/62/90/28/378629028.db2.gz PMKBVEPERFGZEB-BONVTDFDSA-N -1 3 279.336 1.687 20 10 CDCDHM CO[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000365699818 391142998 /nfs/dbraw/zinc/14/29/98/391142998.db2.gz FMEAYOXLJKGVCG-JTQLQIEISA-N -1 3 265.309 1.739 20 10 CDCDHM Cc1ccc(C(=O)NCCCn2ccnc2)c([O-])c1O ZINC000177660622 391173742 /nfs/dbraw/zinc/17/37/42/391173742.db2.gz GNHNETGBRLLIGM-UHFFFAOYSA-N -1 3 275.308 1.423 20 10 CDCDHM CCC(CC)[C@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177685050 391174750 /nfs/dbraw/zinc/17/47/50/391174750.db2.gz JDFCMUGGNHIDPC-GFCCVEGCSA-N -1 3 281.352 1.933 20 10 CDCDHM Cc1ccc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c([O-])c1O ZINC000182546962 391237468 /nfs/dbraw/zinc/23/74/68/391237468.db2.gz PCPYDYJKEAZBPD-JTQLQIEISA-N -1 3 292.335 1.134 20 10 CDCDHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000126283751 260349529 /nfs/dbraw/zinc/34/95/29/260349529.db2.gz KAMSWSGQRUHKMZ-NXEZZACHSA-N -1 3 265.309 1.737 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2C2CC2)c([O-])c1O ZINC000368004557 267133706 /nfs/dbraw/zinc/13/37/06/267133706.db2.gz GBNGUMKRKAXJCA-RISCZKNCSA-N -1 3 277.320 1.704 20 10 CDCDHM C[C@@H]1OCC[C@]12CN(Cc1cc(F)ccc1[O-])CCO2 ZINC000377274167 268062985 /nfs/dbraw/zinc/06/29/85/268062985.db2.gz WMDXVXKXJLEZRS-NHYWBVRUSA-N -1 3 281.327 1.911 20 10 CDCDHM COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(Cl)ccc1[O-] ZINC000188783181 329371993 /nfs/dbraw/zinc/37/19/93/329371993.db2.gz YEKGVQVSGXHVRO-QWHCGFSZSA-N -1 3 299.754 1.544 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN(CCO)CCO)c1[O-] ZINC000050141779 518279389 /nfs/dbraw/zinc/27/93/89/518279389.db2.gz HVQSDSVDLNBKDQ-UHFFFAOYSA-N -1 3 287.743 1.035 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC(O)CC2)c1[O-] ZINC000050132261 518285564 /nfs/dbraw/zinc/28/55/64/518285564.db2.gz XRMJICUIDNHUQS-UHFFFAOYSA-N -1 3 267.300 1.691 20 10 CDCDHM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000279245298 519751755 /nfs/dbraw/zinc/75/17/55/519751755.db2.gz HMIBEGYIFBFSAI-VIFPVBQESA-N -1 3 281.308 1.510 20 10 CDCDHM CCCCN(CC(N)=O)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050145679 520450952 /nfs/dbraw/zinc/45/09/52/520450952.db2.gz FUYZBQQIKSYVLQ-UHFFFAOYSA-N -1 3 296.342 1.821 20 10 CDCDHM COc1c([O-])c(CN2CCC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000278138159 521871237 /nfs/dbraw/zinc/87/12/37/521871237.db2.gz ALIDSDHNMOGMLC-JTQLQIEISA-N -1 3 296.323 1.513 20 10 CDCDHM CO[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1OC ZINC000234856834 523737876 /nfs/dbraw/zinc/73/78/76/523737876.db2.gz WASQUQLICCRUOG-BETUJISGSA-N -1 3 271.744 1.891 20 10 CDCDHM Cc1ccc(C(=O)NCCC[C@@H](C)O)c([O-])c1O ZINC000279115788 526161979 /nfs/dbraw/zinc/16/19/79/526161979.db2.gz LHJRHAWRVBBLBR-SECBINFHSA-N -1 3 253.298 1.297 20 10 CDCDHM Cc1ccc(C(=O)NOC[C@@H]2CCOC2)c([O-])c1O ZINC000276410942 526191646 /nfs/dbraw/zinc/19/16/46/526191646.db2.gz HYKPUMAXDKVSTC-SECBINFHSA-N -1 3 267.281 1.104 20 10 CDCDHM CN(Cc1nnc2n1CCC2)Cc1ccccc1[O-] ZINC000732203011 575083444 /nfs/dbraw/zinc/08/34/44/575083444.db2.gz LNZDJTFMTMVNFL-UHFFFAOYSA-N -1 3 258.325 1.562 20 10 CDCDHM CC(C)OC(=O)CCNC(=O)c1cc([O-])cs1 ZINC000732259699 575084437 /nfs/dbraw/zinc/08/44/37/575084437.db2.gz WUMQRYOCFVTXNJ-UHFFFAOYSA-N -1 3 257.311 1.525 20 10 CDCDHM CCCN(CC(=O)OC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440675 576282889 /nfs/dbraw/zinc/28/28/89/576282889.db2.gz XXLRQDUEKPWCJQ-ZDUSSCGKSA-N -1 3 295.335 1.203 20 10 CDCDHM CCOC(=O)CN(Cc1c([O-])cccc1OC)C1CC1 ZINC000768755746 576305794 /nfs/dbraw/zinc/30/57/94/576305794.db2.gz XPYRTBXNCZISSQ-UHFFFAOYSA-N -1 3 279.336 1.928 20 10 CDCDHM C[C@H](NCc1nncn1C)c1cc(F)cc(F)c1[O-] ZINC000756400403 576988861 /nfs/dbraw/zinc/98/88/61/576988861.db2.gz KGSILPVFYMAKKF-ZETCQYMHSA-N -1 3 268.267 1.650 20 10 CDCDHM CO[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)C1(C)C ZINC000753341870 577162112 /nfs/dbraw/zinc/16/21/12/577162112.db2.gz NJCXMJQFJVLLMS-VHSXEESVSA-N -1 3 255.339 1.997 20 10 CDCDHM O=C(NC[C@H]1CCCCS1(=O)=O)c1cc([O-])cs1 ZINC000753468204 577170304 /nfs/dbraw/zinc/17/03/04/577170304.db2.gz DCFSGMVFSGUZOT-SECBINFHSA-N -1 3 289.378 1.151 20 10 CDCDHM O=C([O-])C[C@@]1([NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC001601936047 1175073283 /nfs/dbraw/zinc/07/32/83/1175073283.db2.gz GUUHIRQCJCNNMY-ZDUSSCGKSA-N -1 3 269.272 1.255 20 10 CDCDHM O=C(CCc1cn[nH]n1)NCc1cccc(Cl)c1[O-] ZINC000890760883 617321349 /nfs/dbraw/zinc/32/13/49/617321349.db2.gz CSDVKQCRPOJFMC-UHFFFAOYSA-N -1 3 280.715 1.413 20 10 CDCDHM O=C(CCc1c[nH]nn1)NCc1cccc(Cl)c1[O-] ZINC000890760883 617321351 /nfs/dbraw/zinc/32/13/51/617321351.db2.gz CSDVKQCRPOJFMC-UHFFFAOYSA-N -1 3 280.715 1.413 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCC(CO)CC1 ZINC000893920566 618177321 /nfs/dbraw/zinc/17/73/21/618177321.db2.gz CLYKJDZMWGCKPL-UHFFFAOYSA-N -1 3 257.280 1.875 20 10 CDCDHM CON(C)C(=O)CNCc1cc(Cl)c(F)cc1[O-] ZINC000895046399 619219022 /nfs/dbraw/zinc/21/90/22/619219022.db2.gz JYNLYCXUMOAIHZ-UHFFFAOYSA-N -1 3 276.695 1.294 20 10 CDCDHM O=CN1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895355186 619597496 /nfs/dbraw/zinc/59/74/96/619597496.db2.gz YPITVKNEMLHJIL-UHFFFAOYSA-N -1 3 270.279 1.335 20 10 CDCDHM Cn1cnc(CNCc2cc(F)cc(F)c2[O-])c1 ZINC000898042630 621307064 /nfs/dbraw/zinc/30/70/64/621307064.db2.gz UUYLVHZJOMQESF-UHFFFAOYSA-N -1 3 253.252 1.694 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn(C)cn2)c1 ZINC000903351541 625976409 /nfs/dbraw/zinc/97/64/09/625976409.db2.gz LTVZANKNVIDCHP-SNVBAGLBSA-N -1 3 289.335 1.763 20 10 CDCDHM CC(=O)CCCCCNC(=O)c1cccc(O)c1[O-] ZINC000909100737 628513469 /nfs/dbraw/zinc/51/34/69/628513469.db2.gz IETIFZQBCUMYJU-UHFFFAOYSA-N -1 3 265.309 1.977 20 10 CDCDHM O=C([O-])[C@@H](CC(F)F)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601639031 1174922038 /nfs/dbraw/zinc/92/20/38/1174922038.db2.gz FFXYSZGUILAKGQ-MRVPVSSYSA-N -1 3 263.215 1.729 20 10 CDCDHM Cc1cccc([C@@H](O)CNC(=O)c2cccc(O)c2[O-])c1 ZINC000193138306 818470763 /nfs/dbraw/zinc/47/07/63/818470763.db2.gz VSCFBACPWYPPQJ-AWEZNQCLSA-N -1 3 287.315 1.870 20 10 CDCDHM Cn1ccc(CNCc2cc(F)cc(F)c2[O-])n1 ZINC000708534651 818485449 /nfs/dbraw/zinc/48/54/49/818485449.db2.gz CKHSFBJIGRTHNX-UHFFFAOYSA-N -1 3 253.252 1.694 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000126642607 818565165 /nfs/dbraw/zinc/56/51/65/818565165.db2.gz FOGWUDOMMVDSJQ-RTXFEEFZSA-N -1 3 291.347 1.863 20 10 CDCDHM CCCN(CC(=O)N(C)C)Cc1cc(F)cc(F)c1[O-] ZINC000708434092 819129946 /nfs/dbraw/zinc/12/99/46/819129946.db2.gz OPYIZSDRZQKPTP-UHFFFAOYSA-N -1 3 286.322 1.971 20 10 CDCDHM O=C(NCc1ccccc1O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816911852 821275276 /nfs/dbraw/zinc/27/52/76/821275276.db2.gz BAYSOJZKZMKPQA-UHFFFAOYSA-N -1 3 285.303 1.695 20 10 CDCDHM Cc1ccc(C(=O)NO[C@H](CO)C(C)C)c([O-])c1O ZINC000836895800 821856994 /nfs/dbraw/zinc/85/69/94/821856994.db2.gz XSJAKTMGCFRSRH-SNVBAGLBSA-N -1 3 269.297 1.085 20 10 CDCDHM Cc1cc(CNC(=O)c2cccc(O)c2[O-])n(C)n1 ZINC000390745391 822368340 /nfs/dbraw/zinc/36/83/40/822368340.db2.gz XDFNTDJCKQCCBD-UHFFFAOYSA-N -1 3 261.281 1.070 20 10 CDCDHM Cc1cc(N(C)C)ccc1CNC(=O)c1cn[n-]n1 ZINC000115490520 822488683 /nfs/dbraw/zinc/48/86/83/822488683.db2.gz KQEYGWTXDYCWTE-UHFFFAOYSA-N -1 3 259.313 1.109 20 10 CDCDHM C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CC(=O)N1 ZINC001233452184 912820507 /nfs/dbraw/zinc/82/05/07/912820507.db2.gz NCCZWIHQDGVPQO-QMMMGPOBSA-N -1 3 288.269 1.731 20 10 CDCDHM C[C@]1(CO)CN(Cc2cccc(Cl)c2[O-])CC[C@H]1O ZINC001231910397 911876125 /nfs/dbraw/zinc/87/61/25/911876125.db2.gz OGWDWQHATOWVSU-TZMCWYRMSA-N -1 3 285.771 1.611 20 10 CDCDHM [O-]c1c(F)cccc1CN1CCN(C2COC2)CC1 ZINC001138122382 936473623 /nfs/dbraw/zinc/47/36/23/936473623.db2.gz AOGBYXCFAIDHEJ-UHFFFAOYSA-N -1 3 266.316 1.048 20 10 CDCDHM CC(=O)N(C)C1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140466982 936712453 /nfs/dbraw/zinc/71/24/53/936712453.db2.gz ORQJGBJYAJWABU-UHFFFAOYSA-N -1 3 268.744 1.708 20 10 CDCDHM COc1cncc(NC(=O)c2cc(O)c([O-])c(O)c2)c1C ZINC001148580071 932748691 /nfs/dbraw/zinc/74/86/91/932748691.db2.gz DWEQKXKQAYSEFK-UHFFFAOYSA-N -1 3 290.275 1.768 20 10 CDCDHM O=C(NCC1(F)CCOCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589812 932753389 /nfs/dbraw/zinc/75/33/89/932753389.db2.gz LZBZQSZODXSTAK-UHFFFAOYSA-N -1 3 285.271 1.052 20 10 CDCDHM CC1(O)CN(Cc2c([O-])cccc2Br)C1 ZINC001119244777 937703028 /nfs/dbraw/zinc/70/30/28/937703028.db2.gz JPQYEHJYIQDULT-UHFFFAOYSA-N -1 3 272.142 1.721 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCOC1 ZINC000401325730 937874621 /nfs/dbraw/zinc/87/46/21/937874621.db2.gz AMWGGWFAEHLVBD-SECBINFHSA-N -1 3 251.282 1.349 20 10 CDCDHM COC(=O)[C@@H]1CCN1Cc1cc(Cl)ccc1[O-] ZINC001203652034 939699694 /nfs/dbraw/zinc/69/96/94/939699694.db2.gz ZMWBQGNRMOPXFG-JTQLQIEISA-N -1 3 255.701 1.793 20 10 CDCDHM CC[N@H+](CCOC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446440 942892123 /nfs/dbraw/zinc/89/21/23/942892123.db2.gz IWXOQIVZLYRMQJ-UHFFFAOYSA-N -1 3 253.298 1.559 20 10 CDCDHM CC[N@@H+](CCOC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446440 942892126 /nfs/dbraw/zinc/89/21/26/942892126.db2.gz IWXOQIVZLYRMQJ-UHFFFAOYSA-N -1 3 253.298 1.559 20 10 CDCDHM C[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@H]1O ZINC001231560461 942926492 /nfs/dbraw/zinc/92/64/92/942926492.db2.gz IQRJFSSLFJESIK-GXFFZTMASA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@H]1O ZINC001231560461 942926496 /nfs/dbraw/zinc/92/64/96/942926496.db2.gz IQRJFSSLFJESIK-GXFFZTMASA-N -1 3 279.336 1.683 20 10 CDCDHM COc1cc([O-])c(CN2CCCNC(=O)C2)cc1Cl ZINC001232266204 943193906 /nfs/dbraw/zinc/19/39/06/943193906.db2.gz KLUDVSOEJZLNOZ-UHFFFAOYSA-N -1 3 284.743 1.376 20 10 CDCDHM O=C1NCC2(CCN(Cc3c([O-])ccc(F)c3F)CC2)O1 ZINC001233335330 943548083 /nfs/dbraw/zinc/54/80/83/943548083.db2.gz QNKOVHGFCRWFSF-UHFFFAOYSA-N -1 3 298.289 1.745 20 10 CDCDHM NC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000722180700 943968314 /nfs/dbraw/zinc/96/83/14/943968314.db2.gz QZLAPYICJKGRNG-UHFFFAOYSA-N -1 3 269.732 1.242 20 10 CDCDHM CN(C)c1ccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1F ZINC001598317728 991307304 /nfs/dbraw/zinc/30/73/04/991307304.db2.gz KQTPAIXFPKWNIZ-NEPJUHHUSA-N -1 3 296.342 1.159 20 10 CDCDHM COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599680407 994971002 /nfs/dbraw/zinc/97/10/02/994971002.db2.gz PERRKJPXXDXSMW-DTORHVGOSA-N -1 3 251.282 1.354 20 10 CDCDHM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(O)c1[O-] ZINC000126615422 342220595 /nfs/dbraw/zinc/22/05/95/342220595.db2.gz ACTFQBSOWMJVBM-KBPBESRZSA-N -1 3 285.299 1.486 20 10 CDCDHM O=C(NC[C@@H](O)C1CCCCC1)c1cccc(O)c1[O-] ZINC000187070601 357723870 /nfs/dbraw/zinc/72/38/70/357723870.db2.gz PDAZTOLTWGERCH-CYBMUJFWSA-N -1 3 279.336 1.769 20 10 CDCDHM O=C1CCC[C@H]1[C@@H]1COCCN1Cc1ccccc1[O-] ZINC000365277257 359238923 /nfs/dbraw/zinc/23/89/23/359238923.db2.gz INIBYCNEEZERTL-KBPBESRZSA-N -1 3 275.348 1.962 20 10 CDCDHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccccc2O)s1 ZINC000269686192 364300763 /nfs/dbraw/zinc/30/07/63/364300763.db2.gz HMCGDIQGNFNQFT-UHFFFAOYSA-N -1 3 298.389 1.944 20 10 CDCDHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cccc(O)c1[O-] ZINC000376155855 364755084 /nfs/dbraw/zinc/75/50/84/364755084.db2.gz GBWQUELAQCMSQE-ZZCYOAIASA-N -1 3 289.331 1.593 20 10 CDCDHM C[C@H](N[C@@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273378344 365490885 /nfs/dbraw/zinc/49/08/85/365490885.db2.gz HTRMRGKYHNBKHC-JOYOIKCWSA-N -1 3 293.323 1.620 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC2)c([O-])c1O ZINC000281703046 367676701 /nfs/dbraw/zinc/67/67/01/367676701.db2.gz MFBAXRLEOMPGTI-JTQLQIEISA-N -1 3 292.335 1.147 20 10 CDCDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])C(=O)NCCF ZINC000282654682 367976462 /nfs/dbraw/zinc/97/64/62/367976462.db2.gz IFXDALHFIBMKPR-IUCAKERBSA-N -1 3 272.295 1.656 20 10 CDCDHM COc1cc(Cl)cc(CN2CC(=O)NCC2(C)C)c1[O-] ZINC000282740049 368016549 /nfs/dbraw/zinc/01/65/49/368016549.db2.gz MZXMYFXOIPRFPU-UHFFFAOYSA-N -1 3 298.770 1.765 20 10 CDCDHM CCNC(=O)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179554333 391210534 /nfs/dbraw/zinc/21/05/34/391210534.db2.gz ZBQPYXGQYCEWET-UHFFFAOYSA-N -1 3 263.341 1.239 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nncn2C)c1[O-] ZINC000286997347 392042987 /nfs/dbraw/zinc/04/29/87/392042987.db2.gz PVYKQIZCTSPBLT-UHFFFAOYSA-N -1 3 292.314 1.494 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCN(CC2CC2)CC1 ZINC000126289886 260349234 /nfs/dbraw/zinc/34/92/34/260349234.db2.gz XZYWCTPQMMUAMU-UHFFFAOYSA-N -1 3 276.336 1.266 20 10 CDCDHM CC(C)(C)C[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000185877664 262310459 /nfs/dbraw/zinc/31/04/59/262310459.db2.gz SENOVQPQHXGVQP-SECBINFHSA-N -1 3 267.325 1.625 20 10 CDCDHM C[C@@]1(O)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126567517 297922248 /nfs/dbraw/zinc/92/22/48/297922248.db2.gz VRQSAOPCIVMABZ-CYBMUJFWSA-N -1 3 251.282 1.085 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2nncn2C)c1[O-] ZINC000275255723 518287508 /nfs/dbraw/zinc/28/75/08/518287508.db2.gz ZDTCFJGOTRBLRK-QMMMGPOBSA-N -1 3 292.314 1.713 20 10 CDCDHM COC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCO1 ZINC000278591109 522747743 /nfs/dbraw/zinc/74/77/43/522747743.db2.gz GYEMRFQJSCGUCX-GXTWGEPZSA-N -1 3 296.323 1.584 20 10 CDCDHM CO[C@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279397776 523967621 /nfs/dbraw/zinc/96/76/21/523967621.db2.gz WFNZXVASAMRRSM-PWSUYJOCSA-N -1 3 265.309 1.785 20 10 CDCDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000279390604 525658346 /nfs/dbraw/zinc/65/83/46/525658346.db2.gz VUSKIZBCAPQFRC-LQJGKPAFSA-N -1 3 283.349 1.079 20 10 CDCDHM CC(C)CNC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000731909800 575070491 /nfs/dbraw/zinc/07/04/91/575070491.db2.gz KUQJVWBOIZXQME-MRVPVSSYSA-N -1 3 271.338 1.771 20 10 CDCDHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000743482150 576642085 /nfs/dbraw/zinc/64/20/85/576642085.db2.gz OOWBCPRAAIDJHK-PRHODGIISA-N -1 3 257.355 1.981 20 10 CDCDHM Cc1ccc(C(=O)N2CCCC3(C2)OCCO3)c([O-])c1O ZINC000770500551 575456360 /nfs/dbraw/zinc/45/63/60/575456360.db2.gz HGEBGSIPOYKUIA-UHFFFAOYSA-N -1 3 293.319 1.385 20 10 CDCDHM CC(C)N1C[C@@H](NC(=O)c2cc([O-])cs2)CC1=O ZINC000738525984 576085968 /nfs/dbraw/zinc/08/59/68/576085968.db2.gz FEHYDXSFTXXFCF-QMMMGPOBSA-N -1 3 268.338 1.193 20 10 CDCDHM O=C(NC[C@@H](O)c1ccsc1)c1cc([O-])cs1 ZINC000740114175 576426191 /nfs/dbraw/zinc/42/61/91/576426191.db2.gz LTVOGXGOGJJJGW-SECBINFHSA-N -1 3 269.347 1.979 20 10 CDCDHM COc1coc(CN(C)Cc2ccccc2[O-])cc1=O ZINC000760840811 576514827 /nfs/dbraw/zinc/51/48/27/576514827.db2.gz NKFFBYWBCNYOAK-UHFFFAOYSA-N -1 3 275.304 1.986 20 10 CDCDHM C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756524453 576993722 /nfs/dbraw/zinc/99/37/22/576993722.db2.gz FTMNVAOKHOWCDG-VXNVDRBHSA-N -1 3 270.279 1.552 20 10 CDCDHM O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc([O-])cs1 ZINC000757903984 577059944 /nfs/dbraw/zinc/05/99/44/577059944.db2.gz APTCWZRPECTDQY-DTORHVGOSA-N -1 3 255.339 1.735 20 10 CDCDHM NC(=O)c1cc(CNCc2cc(Cl)ccc2[O-])on1 ZINC000757906131 577060186 /nfs/dbraw/zinc/06/01/86/577060186.db2.gz KRBRVZRNAISVRC-UHFFFAOYSA-N -1 3 281.699 1.422 20 10 CDCDHM COC[C@H]1COCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000933338451 617394492 /nfs/dbraw/zinc/39/44/92/617394492.db2.gz ZMUPTBBERGFGBG-ZDUSSCGKSA-N -1 3 297.326 1.581 20 10 CDCDHM CC(=Cc1cccnc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893205655 617462239 /nfs/dbraw/zinc/46/22/39/617462239.db2.gz RMRPQJMFJMUGKJ-DHZHZOJOSA-N -1 3 296.330 1.960 20 10 CDCDHM COC(=O)[C@](C)(CO)NCc1cc(Cl)ccc1[O-] ZINC000894974111 619171972 /nfs/dbraw/zinc/17/19/72/619171972.db2.gz AYFHPHCPQNOORC-LBPRGKRZSA-N -1 3 273.716 1.059 20 10 CDCDHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1ccc(N)cc1 ZINC000032159088 631551708 /nfs/dbraw/zinc/55/17/08/631551708.db2.gz BUJOBGKDIAORTJ-UHFFFAOYSA-N -1 3 295.364 1.395 20 10 CDCDHM C[C@@H]([NH2+]C1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604330162 1163153528 /nfs/dbraw/zinc/15/35/28/1163153528.db2.gz VTMPBBJQDHVUBO-SECBINFHSA-N -1 3 265.309 1.920 20 10 CDCDHM C[C@@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1cc(F)ccc1[O-] ZINC001609780802 1165079383 /nfs/dbraw/zinc/07/93/83/1165079383.db2.gz PGWFQJWLAMBQSR-MRVPVSSYSA-N -1 3 294.286 1.172 20 10 CDCDHM CN(Cc1c[nH]nn1)Cc1cc(F)cc(F)c1[O-] ZINC001576862100 1171539508 /nfs/dbraw/zinc/53/95/08/1171539508.db2.gz ITYRZXHGCKRXFR-UHFFFAOYSA-N -1 3 254.240 1.421 20 10 CDCDHM O=C([O-])C[C@]1([NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC001601936046 1175073449 /nfs/dbraw/zinc/07/34/49/1175073449.db2.gz GUUHIRQCJCNNMY-CYBMUJFWSA-N -1 3 269.272 1.255 20 10 CDCDHM COc1ccc(C[NH2+]CCC(C)(C)C(=O)[O-])c([O-])c1 ZINC001610335814 1165290825 /nfs/dbraw/zinc/29/08/25/1165290825.db2.gz NCZZHFWIMOUSMX-UHFFFAOYSA-N -1 3 267.325 1.991 20 10 CDCDHM C[C@H](O)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000855870175 822744357 /nfs/dbraw/zinc/74/43/57/822744357.db2.gz WNWHNXONEXENFI-WCBMZHEXSA-N -1 3 251.282 1.083 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@@H](CO)C1 ZINC001140579850 1167050888 /nfs/dbraw/zinc/05/08/88/1167050888.db2.gz JEVQORQBAZLGOP-SECBINFHSA-N -1 3 257.280 1.875 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@H](CO)C1 ZINC001140579851 1167052007 /nfs/dbraw/zinc/05/20/07/1167052007.db2.gz JEVQORQBAZLGOP-VIFPVBQESA-N -1 3 257.280 1.875 20 10 CDCDHM COCCCONC(=O)c1ccc(C)c(O)c1[O-] ZINC000805043504 824160172 /nfs/dbraw/zinc/16/01/72/824160172.db2.gz VWXBIYZQFYPIGG-UHFFFAOYSA-N -1 3 255.270 1.104 20 10 CDCDHM O=C(Nc1ccc2c(c1)CC(=O)N2)c1cccc(O)c1[O-] ZINC000185653453 824888811 /nfs/dbraw/zinc/88/88/11/824888811.db2.gz MFFJLCQCQBMXBG-UHFFFAOYSA-N -1 3 284.271 1.845 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@@]2(C)CCOC2=O)c1[O-] ZINC000810093742 825091063 /nfs/dbraw/zinc/09/10/63/825091063.db2.gz NHSXFTGYQWDUQX-AWEZNQCLSA-N -1 3 281.283 1.529 20 10 CDCDHM COC(=O)[C@@H](CC(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000790912094 825189324 /nfs/dbraw/zinc/18/93/24/825189324.db2.gz ZLKQNDUTALRMBM-SSDOTTSWSA-N -1 3 289.234 1.024 20 10 CDCDHM COc1ccc(N2CCN([C@H](C)C(=O)[O-])CC2)c(OC)c1 ZINC000873645544 825365627 /nfs/dbraw/zinc/36/56/27/825365627.db2.gz YXRGPHZSAVPWNT-LLVKDONJSA-N -1 3 294.351 1.299 20 10 CDCDHM CCn1[nH]c(C)nc1=NC(=O)c1cc([O-])cs1 ZINC000839901844 825562597 /nfs/dbraw/zinc/56/25/97/825562597.db2.gz IVPMOVPLFCCITA-UHFFFAOYSA-N -1 3 252.299 1.048 20 10 CDCDHM CCNC(=O)CNCc1cc(Cl)cc(F)c1[O-] ZINC000777444592 827216835 /nfs/dbraw/zinc/21/68/35/827216835.db2.gz OHPAIZRLRZUCLH-UHFFFAOYSA-N -1 3 260.696 1.410 20 10 CDCDHM COC(=O)[C@@H](CC1CC1)NC(=O)c1cccc(O)c1[O-] ZINC000839814247 827223087 /nfs/dbraw/zinc/22/30/87/827223087.db2.gz KOHMDSHWCTZBBY-SNVBAGLBSA-N -1 3 279.292 1.169 20 10 CDCDHM CCN(CC)C(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000708516987 827893433 /nfs/dbraw/zinc/89/34/33/827893433.db2.gz MLQSBZWSCREAEN-UHFFFAOYSA-N -1 3 272.295 1.628 20 10 CDCDHM CO[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000388217377 828023629 /nfs/dbraw/zinc/02/36/29/828023629.db2.gz FWYPQUGIWDPGBW-ZJUUUORDSA-N -1 3 265.309 1.737 20 10 CDCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(N)ccc1N ZINC001174565202 913247813 /nfs/dbraw/zinc/24/78/13/913247813.db2.gz BGUGUBVSYUWPOM-UHFFFAOYSA-N -1 3 293.348 1.666 20 10 CDCDHM CN1CC2(CN(Cc3cc(Cl)ccc3[O-])C2)OCC1=O ZINC001272636512 914240657 /nfs/dbraw/zinc/24/06/57/914240657.db2.gz FPXLENKMOBUHDW-UHFFFAOYSA-N -1 3 296.754 1.089 20 10 CDCDHM COc1ccc(CN2CC[C@@H](F)[C@@H](O)C2)c([O-])c1Cl ZINC001236801191 916467682 /nfs/dbraw/zinc/46/76/82/916467682.db2.gz HEUBWIYBIVEGGB-ZJUUUORDSA-N -1 3 289.734 1.959 20 10 CDCDHM C[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CC[C@@H]1O ZINC001140582247 936726930 /nfs/dbraw/zinc/72/69/30/936726930.db2.gz FQORWVYXOURLAL-PELKAZGASA-N -1 3 257.280 1.873 20 10 CDCDHM COc1cc(C(=O)NCc2ncccc2[O-])cc(O)c1O ZINC001193114649 923462381 /nfs/dbraw/zinc/46/23/81/923462381.db2.gz XPGRIYOLRKPHCK-UHFFFAOYSA-N -1 3 290.275 1.137 20 10 CDCDHM C[C@]1(CO)CN(Cc2cc(F)c(F)cc2[O-])CC[C@@H]1O ZINC001142508870 937025063 /nfs/dbraw/zinc/02/50/63/937025063.db2.gz OLULNTWXSYMYSA-UONOGXRCSA-N -1 3 287.306 1.236 20 10 CDCDHM Cc1nc(NC(=O)c2cccc(O)c2O)cc(=O)[n-]1 ZINC001148212705 932668307 /nfs/dbraw/zinc/66/83/07/932668307.db2.gz GUUAHIQWMRERFI-UHFFFAOYSA-N -1 3 261.237 1.154 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)C2(CC2)C1 ZINC001148588301 932752599 /nfs/dbraw/zinc/75/25/99/932752599.db2.gz RPCPAZHXKKYSMN-QMMMGPOBSA-N -1 3 263.293 1.818 20 10 CDCDHM CC(C)(C)C(=O)CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589760 932752607 /nfs/dbraw/zinc/75/26/07/932752607.db2.gz JZBGMBYJRFOYPV-UHFFFAOYSA-N -1 3 267.281 1.148 20 10 CDCDHM CC(C)(C)N1CC(NC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148590306 932755177 /nfs/dbraw/zinc/75/51/77/932755177.db2.gz HEGKZOAUZJECRQ-UHFFFAOYSA-N -1 3 280.324 1.016 20 10 CDCDHM C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cnn(C)c1 ZINC001148590106 932755198 /nfs/dbraw/zinc/75/51/98/932755198.db2.gz XGFZJJASWDXDPR-SSDOTTSWSA-N -1 3 277.280 1.028 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)c1ccc2nonc2c1 ZINC001156170001 938327065 /nfs/dbraw/zinc/32/70/65/938327065.db2.gz BGKHAEPCJXGRFI-UHFFFAOYSA-N -1 3 287.250 1.998 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c([O-])c1 ZINC001231447478 942891321 /nfs/dbraw/zinc/89/13/21/942891321.db2.gz VHWRQJQVBRODGA-GFCCVEGCSA-N -1 3 265.309 1.437 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H](O)C2)c([O-])c1 ZINC001231447478 942891315 /nfs/dbraw/zinc/89/13/15/942891315.db2.gz VHWRQJQVBRODGA-GFCCVEGCSA-N -1 3 265.309 1.437 20 10 CDCDHM Cc1cc([O-])c(CN2CC(S(C)(=O)=O)C2)cc1Cl ZINC001231870559 943036077 /nfs/dbraw/zinc/03/60/77/943036077.db2.gz IPSMXIZGOFYIGI-UHFFFAOYSA-N -1 3 289.784 1.583 20 10 CDCDHM COc1cc([O-])c(CN2CCNC(=O)CC2)cc1Cl ZINC001232266239 943194144 /nfs/dbraw/zinc/19/41/44/943194144.db2.gz SHSDQFWYCDPTOX-UHFFFAOYSA-N -1 3 284.743 1.376 20 10 CDCDHM CN1CCN(C2CN(Cc3c([O-])ccc(F)c3F)C2)CC1 ZINC001233336776 943547892 /nfs/dbraw/zinc/54/78/92/943547892.db2.gz ZYNJQJUIYSZPLH-UHFFFAOYSA-N -1 3 297.349 1.102 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCn2cnc(CO)c2C1 ZINC001235501289 944175876 /nfs/dbraw/zinc/17/58/76/944175876.db2.gz DOJUTSYVKHYIJV-UHFFFAOYSA-N -1 3 293.754 1.750 20 10 CDCDHM C[C@H]1CN(Cc2cc(F)cc(Cl)c2[O-])C[C@H]1O ZINC001237807328 944959186 /nfs/dbraw/zinc/95/91/86/944959186.db2.gz HVGXYIWTMUWOSR-WRWORJQWSA-N -1 3 259.708 1.997 20 10 CDCDHM O=C([O-])C[C@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC001350611259 966711627 /nfs/dbraw/zinc/71/16/27/966711627.db2.gz QTNGZZGBKKQBFB-CYBMUJFWSA-N -1 3 251.282 1.116 20 10 CDCDHM COc1cccc([O-])c1C[NH2+]C[C@H](C(=O)[O-])C(C)C ZINC001604871510 974120868 /nfs/dbraw/zinc/12/08/68/974120868.db2.gz RQMQDLCPALXBGK-JTQLQIEISA-N -1 3 267.325 1.847 20 10 CDCDHM Cn1nc2c(cc1=O)CN(Cc1cc(F)ccc1[O-])CC2 ZINC000180217577 357252440 /nfs/dbraw/zinc/25/24/40/357252440.db2.gz HYUXRBAZLSVFTA-UHFFFAOYSA-N -1 3 289.310 1.183 20 10 CDCDHM C[C@H](O)CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000189860474 358042952 /nfs/dbraw/zinc/04/29/52/358042952.db2.gz FBKXZBPYZCONDC-NSHDSACASA-N -1 3 268.332 1.030 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C[C@H](C)O)[C@@H](C)CO)c1[O-] ZINC000190928877 358100976 /nfs/dbraw/zinc/10/09/76/358100976.db2.gz IFIICSBFLGREMH-UWVGGRQHSA-N -1 3 299.342 1.298 20 10 CDCDHM CC(C)=CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000191791499 358154155 /nfs/dbraw/zinc/15/41/55/358154155.db2.gz NXHIJOKCZWKPGJ-UHFFFAOYSA-N -1 3 298.364 1.460 20 10 CDCDHM C[C@H](NC[C@@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273429303 299303451 /nfs/dbraw/zinc/30/34/51/299303451.db2.gz VFLKYYKEMUQFQO-QUBYGPBYSA-N -1 3 294.229 1.874 20 10 CDCDHM COC(=O)N1CC(NCc2c([O-])cccc2Cl)C1 ZINC000269286136 364174932 /nfs/dbraw/zinc/17/49/32/364174932.db2.gz MFGAVOCANUVLIB-UHFFFAOYSA-N -1 3 270.716 1.586 20 10 CDCDHM Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193151247 365416297 /nfs/dbraw/zinc/41/62/97/365416297.db2.gz HZDTWURXHPKSHK-JTQLQIEISA-N -1 3 288.307 1.204 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1[C@H]1CCCO1 ZINC000285795912 368659247 /nfs/dbraw/zinc/65/92/47/368659247.db2.gz MGFWEGGEOCPJBY-WCQYABFASA-N -1 3 277.320 1.881 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](C2CCOCC2)C1 ZINC000365962415 296253839 /nfs/dbraw/zinc/25/38/39/296253839.db2.gz DARCIZWIYOIZIQ-GFCCVEGCSA-N -1 3 291.347 1.987 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000368336496 390946071 /nfs/dbraw/zinc/94/60/71/390946071.db2.gz OIDLPWUERVHKHN-WDNDVIMCSA-N -1 3 279.311 1.404 20 10 CDCDHM CCCN(CC(=O)NC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177675026 391173923 /nfs/dbraw/zinc/17/39/23/391173923.db2.gz WSLRLLTYBQNSOE-UHFFFAOYSA-N -1 3 280.324 1.004 20 10 CDCDHM CCOCCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182132507 391231147 /nfs/dbraw/zinc/23/11/47/391231147.db2.gz WMRVCXLAAICTIC-UHFFFAOYSA-N -1 3 267.325 1.953 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC([C@H]2CCOC2)C1 ZINC000366871883 225112005 /nfs/dbraw/zinc/11/20/05/225112005.db2.gz RHBAHBNUCUELLV-VIFPVBQESA-N -1 3 263.293 1.206 20 10 CDCDHM C[C@@H]1c2nncn2CCN1Cc1cc(F)ccc1[O-] ZINC000276868198 278114623 /nfs/dbraw/zinc/11/46/23/278114623.db2.gz YCOPWSQHZCKPTD-SECBINFHSA-N -1 3 262.288 1.700 20 10 CDCDHM COCC[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000291326608 328263271 /nfs/dbraw/zinc/26/32/71/328263271.db2.gz UCBHCLYMRRPEEU-CYBMUJFWSA-N -1 3 269.316 1.769 20 10 CDCDHM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])N(C)C1CC1 ZINC000276625874 524708908 /nfs/dbraw/zinc/70/89/08/524708908.db2.gz RTLSJRRFERULJA-QMMMGPOBSA-N -1 3 282.315 1.449 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H](CO)C(C)(C)C)c([O-])c1O ZINC000278918958 526198702 /nfs/dbraw/zinc/19/87/02/526198702.db2.gz WOQSNZMUIQAMQM-JTQLQIEISA-N -1 3 267.325 1.543 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2ncc[nH]2)C1 ZINC000280398181 526771987 /nfs/dbraw/zinc/77/19/87/526771987.db2.gz GEDQLOKSVJYVEF-JTQLQIEISA-N -1 3 287.319 1.841 20 10 CDCDHM O=C(NCCNC(=O)c1cc([O-])cs1)c1ccco1 ZINC000731868391 575068670 /nfs/dbraw/zinc/06/86/70/575068670.db2.gz XCVWSFYOTUTEBD-UHFFFAOYSA-N -1 3 280.305 1.207 20 10 CDCDHM O=C(COC(=O)c1cc([O-])cs1)NCc1ccco1 ZINC000731909235 575069942 /nfs/dbraw/zinc/06/99/42/575069942.db2.gz DKLYVDGAPHRHMI-UHFFFAOYSA-N -1 3 281.289 1.520 20 10 CDCDHM COC(=O)C1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732289253 575087060 /nfs/dbraw/zinc/08/70/60/575087060.db2.gz NRNATDGDLWYAMR-UHFFFAOYSA-N -1 3 283.349 1.915 20 10 CDCDHM Cn1ccc(C(=O)COC(=O)c2cc([O-])cs2)c1 ZINC000732353786 575088220 /nfs/dbraw/zinc/08/82/20/575088220.db2.gz VLJUDAFSALMDNN-UHFFFAOYSA-N -1 3 265.290 1.832 20 10 CDCDHM COC(=O)[C@@]1(F)CCN(Cc2c([O-])cccc2OC)C1 ZINC000769565401 575360295 /nfs/dbraw/zinc/36/02/95/575360295.db2.gz VROOOWKDWIOTEU-CQSZACIVSA-N -1 3 283.299 1.488 20 10 CDCDHM CC(C)(C)C[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000735329993 575456347 /nfs/dbraw/zinc/45/63/47/575456347.db2.gz FHXNELVWOAXUSL-VIFPVBQESA-N -1 3 257.355 1.981 20 10 CDCDHM C[C@@H](NC(=O)c1c[n-]nn1)c1ccc(N(C)C)cc1 ZINC000773022705 575774677 /nfs/dbraw/zinc/77/46/77/575774677.db2.gz WGHTZGUQLNKQQH-SECBINFHSA-N -1 3 259.313 1.362 20 10 CDCDHM C[C@@H](NC(=O)c1cnn[n-]1)c1ccc(N(C)C)cc1 ZINC000773022705 575774680 /nfs/dbraw/zinc/77/46/80/575774680.db2.gz WGHTZGUQLNKQQH-SECBINFHSA-N -1 3 259.313 1.362 20 10 CDCDHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccc(N(C)C)cc1 ZINC000773022705 575774682 /nfs/dbraw/zinc/77/46/82/575774682.db2.gz WGHTZGUQLNKQQH-SECBINFHSA-N -1 3 259.313 1.362 20 10 CDCDHM O=C(NCc1ccc(F)cn1)c1cc([O-])cs1 ZINC000764342266 575900047 /nfs/dbraw/zinc/90/00/47/575900047.db2.gz FMUGIFSOOFEAIP-UHFFFAOYSA-N -1 3 252.270 1.918 20 10 CDCDHM CCOc1ccc(CN(C)CC(=O)N(C)C)c([O-])c1 ZINC000768192081 576263882 /nfs/dbraw/zinc/26/38/82/576263882.db2.gz PRJPHYCKWVWWRE-UHFFFAOYSA-N -1 3 266.341 1.311 20 10 CDCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H](C)CO1 ZINC000768441759 576283164 /nfs/dbraw/zinc/28/31/64/576283164.db2.gz MHPBIVSSHMAISA-RULNRJAQSA-N -1 3 279.336 1.427 20 10 CDCDHM C[C@@H]1OCCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1C ZINC000768463377 576286969 /nfs/dbraw/zinc/28/69/69/576286969.db2.gz SHOBXWBXPMSRKO-BHDSKKPTSA-N -1 3 279.336 1.427 20 10 CDCDHM COc1cccc([O-])c1CN1CCN(CCCCO)CC1 ZINC000769396137 576351705 /nfs/dbraw/zinc/35/17/05/576351705.db2.gz JLGMULXMKPMODS-UHFFFAOYSA-N -1 3 294.395 1.291 20 10 CDCDHM C[C@@H](N[C@@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760041242 576454136 /nfs/dbraw/zinc/45/41/36/576454136.db2.gz XIETWLFTAWTHJL-HTQZYQBOSA-N -1 3 290.266 1.967 20 10 CDCDHM Cc1cc(=O)n(C)cc1NC(=O)c1cc([O-])cs1 ZINC000754456152 576897352 /nfs/dbraw/zinc/89/73/52/576897352.db2.gz OYGQSSXDMQPDIJ-UHFFFAOYSA-N -1 3 264.306 1.713 20 10 CDCDHM CCN(CCC(=O)OC)C(=O)c1cc([O-])cs1 ZINC000748320401 576905405 /nfs/dbraw/zinc/90/54/05/576905405.db2.gz LZADAFJFROKWPH-UHFFFAOYSA-N -1 3 257.311 1.479 20 10 CDCDHM CC(C)OCCN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000748393520 576910540 /nfs/dbraw/zinc/91/05/40/576910540.db2.gz ADHAUKBVGKSRFC-UHFFFAOYSA-N -1 3 298.408 1.637 20 10 CDCDHM O=C(NC[C@]1(O)CCSC1)c1cc([O-])cs1 ZINC000748423440 576912043 /nfs/dbraw/zinc/91/20/43/576912043.db2.gz OCOOKMZYPXXSGU-SNVBAGLBSA-N -1 3 259.352 1.052 20 10 CDCDHM C[C@@H](N[C@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638798 576998114 /nfs/dbraw/zinc/99/81/14/576998114.db2.gz RUNHNBRIRPJVMY-SKDRFNHKSA-N -1 3 293.323 1.572 20 10 CDCDHM C[C@@H](NCC(=O)NCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000757633202 577047024 /nfs/dbraw/zinc/04/70/24/577047024.db2.gz RHNQBMIXUYVWBX-MRVPVSSYSA-N -1 3 284.306 1.847 20 10 CDCDHM CCN1CCN(Cc2c([O-])ccc3ccncc32)CC1=O ZINC000758261148 577092495 /nfs/dbraw/zinc/09/24/95/577092495.db2.gz AHROYVQENJXOMH-UHFFFAOYSA-N -1 3 285.347 1.605 20 10 CDCDHM CC1(C)OCC(NC(=O)c2cc([O-])cs2)CO1 ZINC000758745363 577131127 /nfs/dbraw/zinc/13/11/27/577131127.db2.gz SOUKFGVRAFXBGB-UHFFFAOYSA-N -1 3 257.311 1.335 20 10 CDCDHM CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000820387442 598133814 /nfs/dbraw/zinc/13/38/14/598133814.db2.gz QKGIAKWLDAFOHH-LBPRGKRZSA-N -1 3 265.309 1.840 20 10 CDCDHM CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000820387442 598133815 /nfs/dbraw/zinc/13/38/15/598133815.db2.gz QKGIAKWLDAFOHH-LBPRGKRZSA-N -1 3 265.309 1.840 20 10 CDCDHM CC(=CC(=O)N1CCCc2c(=O)[n-]cnc21)c1cnccn1 ZINC000893204192 617461173 /nfs/dbraw/zinc/46/11/73/617461173.db2.gz FXRZOOTYUSXCAI-YFHOEESVSA-N -1 3 297.318 1.355 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H](CO)C1 ZINC000893863325 618099641 /nfs/dbraw/zinc/09/96/41/618099641.db2.gz FTUZYNVOTIASNO-SECBINFHSA-N -1 3 257.280 1.875 20 10 CDCDHM COC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000901865572 618307386 /nfs/dbraw/zinc/30/73/86/618307386.db2.gz QCFYGXJQELXXRB-HNNXBMFYSA-N -1 3 279.336 1.705 20 10 CDCDHM COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000901865572 618307396 /nfs/dbraw/zinc/30/73/96/618307396.db2.gz QCFYGXJQELXXRB-HNNXBMFYSA-N -1 3 279.336 1.705 20 10 CDCDHM [O-]c1c(F)cc(F)cc1CN1CCN2CCOC[C@H]2C1 ZINC000894456492 618894657 /nfs/dbraw/zinc/89/46/57/618894657.db2.gz RMFZYJGRYQQWME-GFCCVEGCSA-N -1 3 284.306 1.187 20 10 CDCDHM CCN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CCNC1=O ZINC000894664707 619007626 /nfs/dbraw/zinc/00/76/26/619007626.db2.gz YZPWOZPALBWHHL-LLVKDONJSA-N -1 3 270.279 1.381 20 10 CDCDHM CO[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000895970723 619928440 /nfs/dbraw/zinc/92/84/40/619928440.db2.gz UTMLFNNJNYAECL-GFCCVEGCSA-N -1 3 257.717 1.850 20 10 CDCDHM COCC[N@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000901663621 624399180 /nfs/dbraw/zinc/39/91/80/624399180.db2.gz MTBOPMBKQLSMQE-UHFFFAOYSA-N -1 3 253.298 1.315 20 10 CDCDHM COCC[N@@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000901663621 624399181 /nfs/dbraw/zinc/39/91/81/624399181.db2.gz MTBOPMBKQLSMQE-UHFFFAOYSA-N -1 3 253.298 1.315 20 10 CDCDHM Cc1nnc(NCc2ccccc2O)c(-c2nnn[n-]2)c1C ZINC001609460862 1164959341 /nfs/dbraw/zinc/95/93/41/1164959341.db2.gz HIOLJSFQUZMRTN-UHFFFAOYSA-N -1 3 297.322 1.591 20 10 CDCDHM Cc1nnc(NCc2ccccc2O)c(-c2nn[n-]n2)c1C ZINC001609460862 1164959349 /nfs/dbraw/zinc/95/93/49/1164959349.db2.gz HIOLJSFQUZMRTN-UHFFFAOYSA-N -1 3 297.322 1.591 20 10 CDCDHM C[C@H]([NH2+]C1CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589957696 1173211040 /nfs/dbraw/zinc/21/10/40/1173211040.db2.gz SDZZGKZCVAAVTH-QMMMGPOBSA-N -1 3 259.313 1.775 20 10 CDCDHM COC[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])OC ZINC001606800028 1163998078 /nfs/dbraw/zinc/99/80/78/1163998078.db2.gz CILAZTXTBSJCLS-GXSJLCMTSA-N -1 3 283.324 1.402 20 10 CDCDHM C[C@@H]([NH2+][C@@H]1CCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609786926 1165082226 /nfs/dbraw/zinc/08/22/26/1165082226.db2.gz RQJKIXVKJOHOLA-PSASIEDQSA-N -1 3 251.282 1.530 20 10 CDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)C(F)(F)F ZINC000790912237 828949409 /nfs/dbraw/zinc/94/94/09/828949409.db2.gz QJAZIEXGQMQQDH-XVKPBYJWSA-N -1 3 293.241 1.529 20 10 CDCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCO1 ZINC000187206134 828953493 /nfs/dbraw/zinc/95/34/93/828953493.db2.gz LTKSMXWFCDMRMU-PWSUYJOCSA-N -1 3 265.309 1.785 20 10 CDCDHM CN(Cc1c([O-])cccc1Br)[C@H]1CCNC1=O ZINC000862252859 828999818 /nfs/dbraw/zinc/99/98/18/828999818.db2.gz HZDASNRLHWWEBI-JTQLQIEISA-N -1 3 299.168 1.475 20 10 CDCDHM CN(CC1=CCSC1)C(=O)c1cccc(O)c1[O-] ZINC000856369557 829059669 /nfs/dbraw/zinc/05/96/69/829059669.db2.gz NJRYMPIHVQALHV-UHFFFAOYSA-N -1 3 265.334 1.843 20 10 CDCDHM CON(C)C(=O)[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000858319322 833360600 /nfs/dbraw/zinc/36/06/00/833360600.db2.gz GJSZGKCMPPVVOK-ZETCQYMHSA-N -1 3 290.722 1.683 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCc2nn[nH]c2C1 ZINC000827884715 833401497 /nfs/dbraw/zinc/40/14/97/833401497.db2.gz GHTFPQXWXQGOSQ-UHFFFAOYSA-N -1 3 264.716 1.722 20 10 CDCDHM CC1(C)CNC(=O)CN1Cc1cc(F)ccc1[O-] ZINC000800539257 829868798 /nfs/dbraw/zinc/86/87/98/829868798.db2.gz UBUWRSJMDBZZGJ-UHFFFAOYSA-N -1 3 252.289 1.242 20 10 CDCDHM C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000857309005 830047633 /nfs/dbraw/zinc/04/76/33/830047633.db2.gz NWXYKDGWWLZCHA-ARNPGYACSA-N -1 3 297.376 1.517 20 10 CDCDHM CO[C@@H]1COC[C@H]1NCc1c([O-])ccc(Cl)c1F ZINC000842749331 830114575 /nfs/dbraw/zinc/11/45/75/830114575.db2.gz BGEBHFWXWWKPHY-MWLCHTKSSA-N -1 3 275.707 1.688 20 10 CDCDHM COc1cccc(CCNC(=O)c2cccc(O)c2[O-])n1 ZINC000790873936 830800832 /nfs/dbraw/zinc/80/08/32/830800832.db2.gz PRRGIRSIRYJUNJ-UHFFFAOYSA-N -1 3 288.303 1.474 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C1OCCO1 ZINC000888439883 832914311 /nfs/dbraw/zinc/91/43/11/832914311.db2.gz ULWVLQAXZDPJMW-JTQLQIEISA-N -1 3 279.292 1.075 20 10 CDCDHM Cn1c(Cl)cnc1CNC(=O)c1cccc(O)c1[O-] ZINC000393624953 834845503 /nfs/dbraw/zinc/84/55/03/834845503.db2.gz JIGIGTSLGPGNHA-UHFFFAOYSA-N -1 3 281.699 1.415 20 10 CDCDHM COc1nn(C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000789861534 834865939 /nfs/dbraw/zinc/86/59/39/834865939.db2.gz OOUPKSQWOKDRGY-UHFFFAOYSA-N -1 3 263.253 1.092 20 10 CDCDHM O=C(NCc1nccn1C(F)F)c1cccc(O)c1[O-] ZINC000187036471 835663640 /nfs/dbraw/zinc/66/36/40/835663640.db2.gz CLRZZYBUYCSOID-UHFFFAOYSA-N -1 3 283.234 1.619 20 10 CDCDHM COc1cnccc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001211264102 895654073 /nfs/dbraw/zinc/65/40/73/895654073.db2.gz VYGXONSMNGODFI-UHFFFAOYSA-N -1 3 294.332 1.365 20 10 CDCDHM CC1(C)CN(C2CN(Cc3cccc(F)c3[O-])C2)CCO1 ZINC001138128579 936475875 /nfs/dbraw/zinc/47/58/75/936475875.db2.gz SHIPIQCFEWUXNO-UHFFFAOYSA-N -1 3 294.370 1.826 20 10 CDCDHM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1ccco1 ZINC001186876911 920195627 /nfs/dbraw/zinc/19/56/27/920195627.db2.gz LSUGVACYUCQTMD-UHFFFAOYSA-N -1 3 269.278 1.169 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cnccn1 ZINC001148219956 932672102 /nfs/dbraw/zinc/67/21/02/932672102.db2.gz IGLOROAXHGFAIW-MRVPVSSYSA-N -1 3 259.265 1.379 20 10 CDCDHM C[C@@H]1CC[C@@H](CO)CN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583070 932751712 /nfs/dbraw/zinc/75/17/12/932751712.db2.gz RHUGMDBMIQKDQH-RKDXNWHRSA-N -1 3 281.308 1.036 20 10 CDCDHM Cc1cncnc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583358 932751743 /nfs/dbraw/zinc/75/17/43/932751743.db2.gz ZWBRRFXFEUEWID-UHFFFAOYSA-N -1 3 261.237 1.154 20 10 CDCDHM Cc1ccc([C@@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)nc1 ZINC001148589630 932753040 /nfs/dbraw/zinc/75/30/40/932753040.db2.gz FHRBCHFUJNZENV-SECBINFHSA-N -1 3 288.303 1.998 20 10 CDCDHM N[C@H]1CN(Cc2c([O-])cccc2F)CCC1(F)F ZINC001206657022 937657727 /nfs/dbraw/zinc/65/77/27/937657727.db2.gz OCPRCBZPLYFRAN-NSHDSACASA-N -1 3 260.259 1.700 20 10 CDCDHM [O-]c1c(O)cc(-c2nc(-c3ccccn3)no2)cc1O ZINC001215328447 940874775 /nfs/dbraw/zinc/87/47/75/940874775.db2.gz DNGWCGKMJCGALZ-UHFFFAOYSA-N -1 3 271.232 1.915 20 10 CDCDHM COC[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231445857 942892188 /nfs/dbraw/zinc/89/21/88/942892188.db2.gz BQMCTRAOLINGDL-LBPRGKRZSA-N -1 3 265.309 1.701 20 10 CDCDHM COC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231445857 942892191 /nfs/dbraw/zinc/89/21/91/942892191.db2.gz BQMCTRAOLINGDL-LBPRGKRZSA-N -1 3 265.309 1.701 20 10 CDCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCOC1 ZINC001231452290 942897333 /nfs/dbraw/zinc/89/73/33/942897333.db2.gz KJKZJXYUESVHHE-LLVKDONJSA-N -1 3 251.282 1.311 20 10 CDCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCOC1 ZINC001231452290 942897335 /nfs/dbraw/zinc/89/73/35/942897335.db2.gz KJKZJXYUESVHHE-LLVKDONJSA-N -1 3 251.282 1.311 20 10 CDCDHM CC[N@H+](CCC(=O)OC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454557 942898276 /nfs/dbraw/zinc/89/82/76/942898276.db2.gz RNNPNPOZKUCXEI-UHFFFAOYSA-N -1 3 281.308 1.475 20 10 CDCDHM CC[N@@H+](CCC(=O)OC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454557 942898280 /nfs/dbraw/zinc/89/82/80/942898280.db2.gz RNNPNPOZKUCXEI-UHFFFAOYSA-N -1 3 281.308 1.475 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c([O-])c1 ZINC001231455937 942898921 /nfs/dbraw/zinc/89/89/21/942898921.db2.gz YGMLAXCJEDODGL-TXEJJXNPSA-N -1 3 275.304 1.501 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c([O-])c1 ZINC001231455937 942898925 /nfs/dbraw/zinc/89/89/25/942898925.db2.gz YGMLAXCJEDODGL-TXEJJXNPSA-N -1 3 275.304 1.501 20 10 CDCDHM C[C@]1(O)COCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231910295 943038303 /nfs/dbraw/zinc/03/83/03/943038303.db2.gz LAMAAJYLCNRMPZ-CYBMUJFWSA-N -1 3 271.744 1.629 20 10 CDCDHM COC(=O)[C@H]1CCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232258341 943190269 /nfs/dbraw/zinc/19/02/69/943190269.db2.gz VKKXVLDRTGIRAO-SNVBAGLBSA-N -1 3 285.727 1.889 20 10 CDCDHM CCOC(=O)[C@H]1[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@@H]21 ZINC001233078867 943486968 /nfs/dbraw/zinc/48/69/68/943486968.db2.gz MEVGEPCYBXUSHA-IAZYJMLFSA-N -1 3 297.301 1.911 20 10 CDCDHM COC(=O)[C@H]1[C@@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233335355 943549354 /nfs/dbraw/zinc/54/93/54/943549354.db2.gz RNQZVNPECVSYHR-JDICNCQASA-N -1 3 283.274 1.521 20 10 CDCDHM COc1ccc(CN2C[C@@H]3C[C@H]2CN3C)c([O-])c1Cl ZINC001236807547 944576283 /nfs/dbraw/zinc/57/62/83/944576283.db2.gz QGWUZWDVHJQZTQ-QWRGUYRKSA-N -1 3 282.771 1.943 20 10 CDCDHM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001589440812 954709957 /nfs/dbraw/zinc/70/99/57/954709957.db2.gz AKTQXPZNSLVMBN-CMPLNLGQSA-N -1 3 281.308 1.113 20 10 CDCDHM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001589440812 954709964 /nfs/dbraw/zinc/70/99/64/954709964.db2.gz AKTQXPZNSLVMBN-CMPLNLGQSA-N -1 3 281.308 1.113 20 10 CDCDHM CC[C@H](O)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605111847 1163456336 /nfs/dbraw/zinc/45/63/36/1163456336.db2.gz RZVPWXZILSSTLP-ONGXEEELSA-N -1 3 267.325 1.902 20 10 CDCDHM O=C(NCCN1CC=CCC1)c1c(F)ccc(O)c1[O-] ZINC000295051317 199320924 /nfs/dbraw/zinc/32/09/24/199320924.db2.gz BEIXAVWZANHVEY-UHFFFAOYSA-N -1 3 280.299 1.229 20 10 CDCDHM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(O)c1[O-] ZINC000185886114 357589244 /nfs/dbraw/zinc/58/92/44/357589244.db2.gz ICPQKWABXIRCNL-LLVKDONJSA-N -1 3 299.330 1.502 20 10 CDCDHM COCCOCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000271280717 364979542 /nfs/dbraw/zinc/97/95/42/364979542.db2.gz NXLKXTKYGZXNGJ-UHFFFAOYSA-N -1 3 283.324 1.189 20 10 CDCDHM CCc1nnc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])[nH]1 ZINC000273068733 365469370 /nfs/dbraw/zinc/46/93/70/365469370.db2.gz ZRXXLPIYVKOMED-QMMMGPOBSA-N -1 3 290.323 1.578 20 10 CDCDHM C[C@@H](NCC1(C)OCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273347124 365487083 /nfs/dbraw/zinc/48/70/83/365487083.db2.gz AZHXZQLQFZIRPY-SECBINFHSA-N -1 3 282.296 1.714 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@](F)(CO)C1 ZINC000286610980 368905913 /nfs/dbraw/zinc/90/59/13/368905913.db2.gz BJLQHEYLBJKQMD-ZDUSSCGKSA-N -1 3 269.272 1.034 20 10 CDCDHM COc1cc(Cl)cc(CN2CCn3cnnc3C2)c1[O-] ZINC000228663040 370380312 /nfs/dbraw/zinc/38/03/12/370380312.db2.gz CELGESIRCDFHLK-UHFFFAOYSA-N -1 3 294.742 1.662 20 10 CDCDHM [O-]c1ccccc1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000245594533 376106493 /nfs/dbraw/zinc/10/64/93/376106493.db2.gz IAOCGWJPJLYFRL-CABCVRRESA-N -1 3 263.337 1.772 20 10 CDCDHM CCCN(Cc1ncnn1C)Cc1ccccc1[O-] ZINC000177097112 391164625 /nfs/dbraw/zinc/16/46/25/391164625.db2.gz FENIFLNQGUWICM-UHFFFAOYSA-N -1 3 260.341 1.933 20 10 CDCDHM Cc1ccc(C(=O)NCCCC(=O)N(C)C)c([O-])c1O ZINC000182224014 391233142 /nfs/dbraw/zinc/23/31/42/391233142.db2.gz PCIMHGBDQFKXPI-UHFFFAOYSA-N -1 3 280.324 1.004 20 10 CDCDHM Cc1ccc(C(=O)NCC(C)(C)CCO)c([O-])c1O ZINC000182811913 391244669 /nfs/dbraw/zinc/24/46/69/391244669.db2.gz INUFEFARCAFWGA-UHFFFAOYSA-N -1 3 267.325 1.545 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCOC[C@]12CCOC2 ZINC000195016143 391373890 /nfs/dbraw/zinc/37/38/90/391373890.db2.gz FEWRSQHUEKSVGQ-CQSZACIVSA-N -1 3 267.300 1.523 20 10 CDCDHM CC1(C)CCN(Cc2ccccc2[O-])CCS1(=O)=O ZINC000195203219 391379306 /nfs/dbraw/zinc/37/93/06/391379306.db2.gz YLKDHSRFNRUTHK-UHFFFAOYSA-N -1 3 283.393 1.791 20 10 CDCDHM COC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000182886397 397969007 /nfs/dbraw/zinc/96/90/07/397969007.db2.gz VMFHPQMYHWHXKG-NSHDSACASA-N -1 3 265.309 1.561 20 10 CDCDHM C[C@@H](O)C[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000187156521 262387376 /nfs/dbraw/zinc/38/73/76/262387376.db2.gz BQZZUFFZUXAHOL-DTWKUNHWSA-N -1 3 253.298 1.235 20 10 CDCDHM CC[C@H](NCc1nncn1C)c1ccc(F)cc1[O-] ZINC000285703328 288051270 /nfs/dbraw/zinc/05/12/70/288051270.db2.gz PFHDVTCDQLBCAA-NSHDSACASA-N -1 3 264.304 1.901 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2OCCC[C@@H]2C1 ZINC000187197393 329354477 /nfs/dbraw/zinc/35/44/77/329354477.db2.gz RMWAHIGHTICOEZ-ZWNOBZJWSA-N -1 3 277.320 1.739 20 10 CDCDHM CCN(C)C(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274825339 520175319 /nfs/dbraw/zinc/17/53/19/520175319.db2.gz ZPBHYSUPHOSHIO-VIFPVBQESA-N -1 3 281.312 1.429 20 10 CDCDHM COc1c([O-])c(CN2CCC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278200150 521869147 /nfs/dbraw/zinc/86/91/47/521869147.db2.gz IVUZQQRUTOOXLO-SNVBAGLBSA-N -1 3 282.296 1.266 20 10 CDCDHM COc1c([O-])c(CN2CCC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000278138162 521871830 /nfs/dbraw/zinc/87/18/30/521871830.db2.gz ALIDSDHNMOGMLC-SNVBAGLBSA-N -1 3 296.323 1.513 20 10 CDCDHM COCCN(Cc1cc2c(cc1[O-])OCO2)CC(F)F ZINC000101539776 523739465 /nfs/dbraw/zinc/73/94/65/523739465.db2.gz VWDJTERLDHJYGE-UHFFFAOYSA-N -1 3 289.278 1.834 20 10 CDCDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])C(=O)N(C)C ZINC000062745930 525531860 /nfs/dbraw/zinc/53/18/60/525531860.db2.gz HXWFWYVFNGHKTM-IUCAKERBSA-N -1 3 254.305 1.659 20 10 CDCDHM Cc1ccc(C(=O)N2CCCc3n[nH]cc32)c([O-])c1O ZINC000280092187 526108703 /nfs/dbraw/zinc/10/87/03/526108703.db2.gz LOXXQMMWPPUYPK-UHFFFAOYSA-N -1 3 273.292 1.722 20 10 CDCDHM O=C1NC[C@]2(CCCN(Cc3cccc(F)c3[O-])C2)O1 ZINC000364882541 527081171 /nfs/dbraw/zinc/08/11/71/527081171.db2.gz BFGUVBFIWIHRAL-AWEZNQCLSA-N -1 3 280.299 1.606 20 10 CDCDHM O=C([O-])[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccccc1[O-] ZINC001601640375 1174923455 /nfs/dbraw/zinc/92/34/55/1174923455.db2.gz BOCSAICTYWYKEY-NWDGAFQWSA-N -1 3 265.309 1.504 20 10 CDCDHM Cn1cc(NC(=O)c2cc([O-])cs2)ccc1=O ZINC000732274739 575085686 /nfs/dbraw/zinc/08/56/86/575085686.db2.gz NNIZAEIIGVEGIL-UHFFFAOYSA-N -1 3 250.279 1.405 20 10 CDCDHM NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000732277274 575085791 /nfs/dbraw/zinc/08/57/91/575085791.db2.gz JJUVJVMLBPOSOS-NSHDSACASA-N -1 3 290.344 1.280 20 10 CDCDHM [O-]c1cccc(Cl)c1CNCc1nnnn1CC1CC1 ZINC000769937702 575399460 /nfs/dbraw/zinc/39/94/60/575399460.db2.gz ZERNITWUQIBDAJ-UHFFFAOYSA-N -1 3 293.758 1.732 20 10 CDCDHM CCOc1ccc(CN(C)[C@@H]2CCNC2=O)c([O-])c1 ZINC000770384350 575444099 /nfs/dbraw/zinc/44/40/99/575444099.db2.gz XNQAYNGIZQMKGO-GFCCVEGCSA-N -1 3 264.325 1.111 20 10 CDCDHM COC(=O)C[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000772574476 575723621 /nfs/dbraw/zinc/72/36/21/575723621.db2.gz CIVMUYLXWIGNNH-QMMMGPOBSA-N -1 3 269.322 1.621 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCS[C@H]2COCC[C@H]21 ZINC000768374661 576276241 /nfs/dbraw/zinc/27/62/41/576276241.db2.gz KONFBDAYVUUPGJ-KOLCDFICSA-N -1 3 285.390 1.800 20 10 CDCDHM C[C@@H]1[C@H](C)OCCN1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463375 576287213 /nfs/dbraw/zinc/28/72/13/576287213.db2.gz SHOBXWBXPMSRKO-BFVZDQMLSA-N -1 3 279.336 1.427 20 10 CDCDHM Cc1ccc(C(=O)NCCc2ccn(C)n2)c([O-])c1O ZINC000760968942 576530565 /nfs/dbraw/zinc/53/05/65/576530565.db2.gz WCIRMKVMQLMWTM-UHFFFAOYSA-N -1 3 275.308 1.112 20 10 CDCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)CC1(C)OCCO1 ZINC000743487952 576642388 /nfs/dbraw/zinc/64/23/88/576642388.db2.gz LKABASPMTWCEIX-SECBINFHSA-N -1 3 285.365 1.973 20 10 CDCDHM CC(C)NC(=O)CCNC(=O)c1cc([O-])cs1 ZINC000746682000 576789144 /nfs/dbraw/zinc/78/91/44/576789144.db2.gz GLZVVTSCFFJBNR-UHFFFAOYSA-N -1 3 256.327 1.098 20 10 CDCDHM C[C@@H](O)[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000747617031 576876963 /nfs/dbraw/zinc/87/69/63/576876963.db2.gz NYOOQXZDFDWIRM-BDAKNGLRSA-N -1 3 255.339 1.687 20 10 CDCDHM CCN1CCN(C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000754516850 576899623 /nfs/dbraw/zinc/89/96/23/576899623.db2.gz YUCFBXMXBVWAFD-SECBINFHSA-N -1 3 254.355 1.620 20 10 CDCDHM CCN(CC)C(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756458712 576990982 /nfs/dbraw/zinc/99/09/82/576990982.db2.gz UKJZXJBVHGGWCK-JTQLQIEISA-N -1 3 295.339 1.819 20 10 CDCDHM CN(C)c1nccc(CNCc2cc(F)ccc2[O-])n1 ZINC000757868316 577058800 /nfs/dbraw/zinc/05/88/00/577058800.db2.gz ZHSJPNQEAXINGG-UHFFFAOYSA-N -1 3 276.315 1.677 20 10 CDCDHM COc1cccc([O-])c1C[NH+]1CCC(C(=O)[O-])CC1 ZINC000820870873 598119368 /nfs/dbraw/zinc/11/93/68/598119368.db2.gz FYEGJAHEOOSDAR-UHFFFAOYSA-N -1 3 265.309 1.697 20 10 CDCDHM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])N(C)C ZINC000890759428 617321052 /nfs/dbraw/zinc/32/10/52/617321052.db2.gz BIKOWCPAPPXRMK-QMMMGPOBSA-N -1 3 256.733 1.612 20 10 CDCDHM CO[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@H](C(=O)[O-])C1 ZINC000902031164 618528262 /nfs/dbraw/zinc/52/82/62/618528262.db2.gz HWZQPPAGTINHJM-NEPJUHHUSA-N -1 3 265.309 1.456 20 10 CDCDHM CO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H](C(=O)[O-])C1 ZINC000902031164 618528269 /nfs/dbraw/zinc/52/82/69/618528269.db2.gz HWZQPPAGTINHJM-NEPJUHHUSA-N -1 3 265.309 1.456 20 10 CDCDHM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1cc(F)ccc1[O-] ZINC000895119100 619312700 /nfs/dbraw/zinc/31/27/00/619312700.db2.gz VGVMPHMYJRUPAQ-IVZWLZJFSA-N -1 3 266.316 1.629 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ncccn1 ZINC000898966954 621994603 /nfs/dbraw/zinc/99/46/03/621994603.db2.gz KNHACMILTCROSM-NSHDSACASA-N -1 3 285.303 1.865 20 10 CDCDHM C[C@H]([NH2+]C1CCN(C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609777376 1165077165 /nfs/dbraw/zinc/07/71/65/1165077165.db2.gz LDUDSMNEGLTACY-JTQLQIEISA-N -1 3 278.352 1.835 20 10 CDCDHM CN(C)c1ccc(CNc2nnccc2-c2nnn[n-]2)cc1 ZINC001591032211 1173563029 /nfs/dbraw/zinc/56/30/29/1173563029.db2.gz CZPXULLIFKCIKI-UHFFFAOYSA-N -1 3 296.338 1.335 20 10 CDCDHM CN(C)c1ccc(CNc2nnccc2-c2nn[n-]n2)cc1 ZINC001591032211 1173563031 /nfs/dbraw/zinc/56/30/31/1173563031.db2.gz CZPXULLIFKCIKI-UHFFFAOYSA-N -1 3 296.338 1.335 20 10 CDCDHM Cc1ccc(C[NH2+][C@H]2CCO[C@H]2C(=O)[O-])c([O-])c1 ZINC001600417790 1174469399 /nfs/dbraw/zinc/46/93/99/1174469399.db2.gz HSJZSVPYCZIUDD-CMPLNLGQSA-N -1 3 251.282 1.032 20 10 CDCDHM O=C([O-])[C@]12C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]1COCC2 ZINC001602207858 1175165934 /nfs/dbraw/zinc/16/59/34/1175165934.db2.gz VETZFQYXOHCWRC-XHDPSFHLSA-N -1 3 295.310 1.454 20 10 CDCDHM O=C([O-])[C@]12C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]1COCC2 ZINC001602207858 1175165937 /nfs/dbraw/zinc/16/59/37/1175165937.db2.gz VETZFQYXOHCWRC-XHDPSFHLSA-N -1 3 295.310 1.454 20 10 CDCDHM O=C(Nc1ccc(-n2cncn2)cc1)c1cccc(O)c1[O-] ZINC000188126956 1184332773 /nfs/dbraw/zinc/33/27/73/1184332773.db2.gz AHSJFTTUQBOYEY-UHFFFAOYSA-N -1 3 296.286 1.931 20 10 CDCDHM CCCNC(=O)CN[C@H](C)c1c([O-])cccc1F ZINC000886491657 837506943 /nfs/dbraw/zinc/50/69/43/837506943.db2.gz KXZPIJYNKFKZLB-SECBINFHSA-N -1 3 254.305 1.708 20 10 CDCDHM COC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092217151 837810935 /nfs/dbraw/zinc/81/09/35/837810935.db2.gz JCBCIHWBQJXPQS-UHFFFAOYSA-N -1 3 284.743 1.930 20 10 CDCDHM CCCN(CC(N)=O)Cc1cccc(Cl)c1[O-] ZINC000310309899 835825888 /nfs/dbraw/zinc/82/58/88/835825888.db2.gz DNDXAYNNMFJCOI-UHFFFAOYSA-N -1 3 256.733 1.743 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](n2ccnn2)C1 ZINC000819639625 836417991 /nfs/dbraw/zinc/41/79/91/836417991.db2.gz IBGHCEGBJYNAPH-JTQLQIEISA-N -1 3 288.307 1.167 20 10 CDCDHM O=C(N[C@H](CCO)C1CCOCC1)c1cccc(O)c1[O-] ZINC000790932258 838113128 /nfs/dbraw/zinc/11/31/28/838113128.db2.gz XFKIXHMHBMZPRN-GFCCVEGCSA-N -1 3 295.335 1.005 20 10 CDCDHM [O-]c1ccc(F)cc1CN[C@@H](CCO)C(F)(F)F ZINC000820846764 839123855 /nfs/dbraw/zinc/12/38/55/839123855.db2.gz LPFXUPBXNNIWQN-JTQLQIEISA-N -1 3 267.222 1.934 20 10 CDCDHM CCC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000776679035 839210097 /nfs/dbraw/zinc/21/00/97/839210097.db2.gz KEGHZGLEMYPYJZ-VIFPVBQESA-N -1 3 267.281 1.169 20 10 CDCDHM COC[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OC ZINC000789577535 839240192 /nfs/dbraw/zinc/24/01/92/839240192.db2.gz VTBJVFSSYVFLSY-SNVBAGLBSA-N -1 3 273.716 1.323 20 10 CDCDHM CN(Cc1nnc2n1CCC2)Cc1cc(F)ccc1[O-] ZINC000778994773 839323193 /nfs/dbraw/zinc/32/31/93/839323193.db2.gz KTLZAOINPMMEPA-UHFFFAOYSA-N -1 3 276.315 1.701 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CC1)COCCO2 ZINC000882783072 840841617 /nfs/dbraw/zinc/84/16/17/840841617.db2.gz NEKMPTVHGPZHMQ-UHFFFAOYSA-N -1 3 293.319 1.119 20 10 CDCDHM CN(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819164806 840999264 /nfs/dbraw/zinc/99/92/64/840999264.db2.gz VFLMTBQJOKNRAI-CQSZACIVSA-N -1 3 288.351 1.402 20 10 CDCDHM CC(C)(C)N1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC1=O ZINC000193118992 842340272 /nfs/dbraw/zinc/34/02/72/842340272.db2.gz GIRFTRIBQSHLEQ-VIFPVBQESA-N -1 3 292.335 1.227 20 10 CDCDHM CN(C)C[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])CCO1 ZINC001139685811 901333588 /nfs/dbraw/zinc/33/35/88/901333588.db2.gz XYBZYSIXAQXKGU-SNVBAGLBSA-N -1 3 286.322 1.433 20 10 CDCDHM Cc1cccc(CCNC(=O)c2cccc(O)c2[O-])n1 ZINC000689485655 936396204 /nfs/dbraw/zinc/39/62/04/936396204.db2.gz MFSBEGSWNWGOHI-UHFFFAOYSA-N -1 3 272.304 1.774 20 10 CDCDHM CC(=O)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC001140342445 936704039 /nfs/dbraw/zinc/70/40/39/936704039.db2.gz JGFVTAPISTUYII-CYBMUJFWSA-N -1 3 269.728 1.835 20 10 CDCDHM CCOC(=O)c1cc[nH]c1NC(=O)c1cccc(O)c1[O-] ZINC001148212962 932669192 /nfs/dbraw/zinc/66/91/92/932669192.db2.gz ROUJRZXLXCETCQ-UHFFFAOYSA-N -1 3 290.275 1.855 20 10 CDCDHM COc1ccc(C)nc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581876 932750570 /nfs/dbraw/zinc/75/05/70/932750570.db2.gz FCAQFUUIDAAYPE-UHFFFAOYSA-N -1 3 290.275 1.768 20 10 CDCDHM O=C(NC[C@@H]1CCCCO1)c1cc(O)c([O-])c(O)c1 ZINC001148589529 932752501 /nfs/dbraw/zinc/75/25/01/932752501.db2.gz AKBNBMFWWHHYAV-VIFPVBQESA-N -1 3 267.281 1.102 20 10 CDCDHM CC[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)C(F)(F)F ZINC001148590186 932754232 /nfs/dbraw/zinc/75/42/32/932754232.db2.gz DQMFDYGDTVBEAH-MRVPVSSYSA-N -1 3 279.214 1.874 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@H](CO)O[C@@H](C)C2)c1[O-] ZINC000191723166 934577239 /nfs/dbraw/zinc/57/72/39/934577239.db2.gz WYPNGWGCWSTBNT-TVQRCGJNSA-N -1 3 297.326 1.316 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC001231563048 942927341 /nfs/dbraw/zinc/92/73/41/942927341.db2.gz MHOWTECVQAEHIG-TXEJJXNPSA-N -1 3 263.293 1.169 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC001231563048 942927346 /nfs/dbraw/zinc/92/73/46/942927346.db2.gz MHOWTECVQAEHIG-TXEJJXNPSA-N -1 3 263.293 1.169 20 10 CDCDHM COc1cc([O-])c(CN2CCN(C(N)=O)CC2)cc1Cl ZINC001232265447 943193970 /nfs/dbraw/zinc/19/39/70/943193970.db2.gz WNGPZNNSRMUCRO-UHFFFAOYSA-N -1 3 299.758 1.251 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](N2CCOCC2)C1 ZINC001233334734 943547087 /nfs/dbraw/zinc/54/70/87/943547087.db2.gz RIEIHWXDXQYYHR-LLVKDONJSA-N -1 3 298.333 1.577 20 10 CDCDHM CN1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237122570 944661179 /nfs/dbraw/zinc/66/11/79/944661179.db2.gz WEYKDNNVJRQBDI-UHFFFAOYSA-N -1 3 258.724 1.932 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001593967838 956579136 /nfs/dbraw/zinc/57/91/36/956579136.db2.gz XXPLKPMUMRRYBC-OAHLLOKOSA-N -1 3 279.336 1.624 20 10 CDCDHM COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001593967838 956579146 /nfs/dbraw/zinc/57/91/46/956579146.db2.gz XXPLKPMUMRRYBC-OAHLLOKOSA-N -1 3 279.336 1.624 20 10 CDCDHM C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286442 994644951 /nfs/dbraw/zinc/64/49/51/994644951.db2.gz SVHNHXBYNFAEAL-PWSUYJOCSA-N -1 3 278.352 1.835 20 10 CDCDHM C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593352466 994965198 /nfs/dbraw/zinc/96/51/98/994965198.db2.gz AKJPNNCOZRKYEY-UWVGGRQHSA-N -1 3 266.341 1.691 20 10 CDCDHM COc1cc(Cl)cc(CN2CC(=O)N[C@@H](C)C2)c1[O-] ZINC000295109897 199349077 /nfs/dbraw/zinc/34/90/77/199349077.db2.gz VZPHDKMMDIPPFT-QMMMGPOBSA-N -1 3 284.743 1.375 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCN(C2CCC2)CC1 ZINC000279316151 363082140 /nfs/dbraw/zinc/08/21/40/363082140.db2.gz OXLYLLOKWRXOGU-UHFFFAOYSA-N -1 3 276.336 1.408 20 10 CDCDHM CC[C@H](C)[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000185855203 357584775 /nfs/dbraw/zinc/58/47/75/357584775.db2.gz LHPIZKHRAALBJK-GZMMTYOYSA-N -1 3 253.298 1.235 20 10 CDCDHM CCOC[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187163150 357735172 /nfs/dbraw/zinc/73/51/72/357735172.db2.gz HYRHQKOSUWHSCY-JTQLQIEISA-N -1 3 265.309 1.596 20 10 CDCDHM COC[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000093528636 360298729 /nfs/dbraw/zinc/29/87/29/360298729.db2.gz SHTVEFLQYSCSNI-GFCCVEGCSA-N -1 3 271.744 1.893 20 10 CDCDHM CCCCN1CC(=O)N[C@@H]1c1cc(OC)c(OC)cc1[O-] ZINC000271046129 364890485 /nfs/dbraw/zinc/89/04/85/364890485.db2.gz LWMSIKBNQNUCCJ-HNNXBMFYSA-N -1 3 294.351 1.640 20 10 CDCDHM Cc1ccc(C(=O)NCC(=O)OC(C)(C)C)c([O-])c1O ZINC000272718554 365363460 /nfs/dbraw/zinc/36/34/60/365363460.db2.gz GQWQTMUMHNOHPI-UHFFFAOYSA-N -1 3 281.308 1.478 20 10 CDCDHM C[C@@H](NCc1nnc2n1CCC2)c1cc(F)ccc1[O-] ZINC000273303118 365484248 /nfs/dbraw/zinc/48/42/48/365484248.db2.gz CCRRNKKHJYJDQA-SECBINFHSA-N -1 3 276.315 1.920 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@H](n3cccn3)C2)c([O-])c1O ZINC000298271720 372074022 /nfs/dbraw/zinc/07/40/22/372074022.db2.gz NUZOZMLWMKBAAB-NSHDSACASA-N -1 3 287.319 1.690 20 10 CDCDHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000229417035 391117306 /nfs/dbraw/zinc/11/73/06/391117306.db2.gz CFEIRHXPQZJZER-RKDXNWHRSA-N -1 3 251.282 1.395 20 10 CDCDHM COc1cc(Cl)cc(CNCC(F)(F)CO)c1[O-] ZINC000185661071 262065090 /nfs/dbraw/zinc/06/50/90/262065090.db2.gz XUSNWSNDJWARTA-UHFFFAOYSA-N -1 3 281.686 1.771 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377701305 329025812 /nfs/dbraw/zinc/02/58/12/329025812.db2.gz SOLJMDGYRJZDOK-UKRRQHHQSA-N -1 3 281.327 1.911 20 10 CDCDHM C[C@@H](NCc1cc(F)ccc1[O-])c1ncn(C)n1 ZINC000276302666 334798302 /nfs/dbraw/zinc/79/83/02/334798302.db2.gz UYCGNDJOSPNIGK-MRVPVSSYSA-N -1 3 250.277 1.511 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C(N)=O)c1[O-] ZINC000050147461 518282805 /nfs/dbraw/zinc/28/28/05/518282805.db2.gz HDIWCQMFRYFRCB-CYBMUJFWSA-N -1 3 294.326 1.574 20 10 CDCDHM CC(C)(C)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000279450132 518945633 /nfs/dbraw/zinc/94/56/33/518945633.db2.gz VPDAQBVELYEXLU-LBPRGKRZSA-N -1 3 279.336 1.985 20 10 CDCDHM C[C@@H](CO)N(CC1CCC1)C(=O)c1cccc(O)c1[O-] ZINC000280640149 524788374 /nfs/dbraw/zinc/78/83/74/524788374.db2.gz CHJBODYVDKMVCW-JTQLQIEISA-N -1 3 279.336 1.721 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C2CC2)O1 ZINC000280092173 524873253 /nfs/dbraw/zinc/87/32/53/524873253.db2.gz QVGFISPQMCZELC-RNCFNFMXSA-N -1 3 277.320 1.737 20 10 CDCDHM C[C@@H](NCCS(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000062747681 525454940 /nfs/dbraw/zinc/45/49/40/525454940.db2.gz GNPHAHCZGATSET-MRVPVSSYSA-N -1 3 261.318 1.227 20 10 CDCDHM Cc1ccc(C(=O)N(CC(C)(C)O)C2CC2)c([O-])c1O ZINC000275156953 526069040 /nfs/dbraw/zinc/06/90/40/526069040.db2.gz WKGDIFSVSOYHQD-UHFFFAOYSA-N -1 3 279.336 1.782 20 10 CDCDHM Cc1ccc(C(=O)NCCN2CC=CCC2)c([O-])c1O ZINC000280301861 526165072 /nfs/dbraw/zinc/16/50/72/526165072.db2.gz SBUWGOSYALZXNF-UHFFFAOYSA-N -1 3 276.336 1.398 20 10 CDCDHM O=C(CCNC(=O)c1cc([O-])cs1)N1CCCCC1 ZINC000731871379 575067255 /nfs/dbraw/zinc/06/72/55/575067255.db2.gz FIRQYAASJYWRPT-UHFFFAOYSA-N -1 3 282.365 1.586 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000732300930 575086022 /nfs/dbraw/zinc/08/60/22/575086022.db2.gz YEHRIPDMMLSMCQ-JTQLQIEISA-N -1 3 294.376 1.681 20 10 CDCDHM Cn1cc(CCCNC(=O)c2cc([O-])cs2)cn1 ZINC000732282270 575086519 /nfs/dbraw/zinc/08/65/19/575086519.db2.gz DDSVVOLPFVRQQK-UHFFFAOYSA-N -1 3 265.338 1.550 20 10 CDCDHM CC(C)[C@H]1C(=O)NCCN1C(=O)c1cc([O-])cs1 ZINC000732285874 575086872 /nfs/dbraw/zinc/08/68/72/575086872.db2.gz OCRBUUYODPQVPH-JTQLQIEISA-N -1 3 268.338 1.050 20 10 CDCDHM CCc1nc(COC(=O)c2cc([O-])cs2)no1 ZINC000733497065 575127561 /nfs/dbraw/zinc/12/75/61/575127561.db2.gz QRWHSNXBIXTGTQ-UHFFFAOYSA-N -1 3 254.267 1.756 20 10 CDCDHM CC(C)N1CC[C@@H](NC(=O)c2cc([O-])cs2)C1=O ZINC000734176682 575160219 /nfs/dbraw/zinc/16/02/19/575160219.db2.gz HGGJZDJTUDBFPH-SECBINFHSA-N -1 3 268.338 1.193 20 10 CDCDHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000734179180 575160316 /nfs/dbraw/zinc/16/03/16/575160316.db2.gz UWAOSUAOZMPHIA-VHSXEESVSA-N -1 3 296.392 1.831 20 10 CDCDHM CSC[C@H](CCO)NC(=O)c1cc([O-])cs1 ZINC000765257629 576002289 /nfs/dbraw/zinc/00/22/89/576002289.db2.gz OYPXWAGIOJPYEW-ZETCQYMHSA-N -1 3 261.368 1.298 20 10 CDCDHM COc1cccc([O-])c1CN1CCN(C(=O)N(C)C)CC1 ZINC000768299303 576269247 /nfs/dbraw/zinc/26/92/47/576269247.db2.gz KLLGWCVEEKAUNB-UHFFFAOYSA-N -1 3 293.367 1.200 20 10 CDCDHM Cc1ccc(C(=O)NCCC2CC(O)C2)c([O-])c1O ZINC000762719309 576667310 /nfs/dbraw/zinc/66/73/10/576667310.db2.gz VKDBQNDJMFNAJG-UHFFFAOYSA-N -1 3 265.309 1.297 20 10 CDCDHM CCOc1ccc(CN2CC[S@@](=O)C[C@@H](C)C2)c([O-])c1 ZINC000763650790 576745668 /nfs/dbraw/zinc/74/56/68/576745668.db2.gz ZSUFWAZFAXNCCX-FKIZINRSSA-N -1 3 297.420 1.991 20 10 CDCDHM O=C(NC[C@H]1CCC[C@H](O)C1)c1cc([O-])cs1 ZINC000748319638 576905285 /nfs/dbraw/zinc/90/52/85/576905285.db2.gz FLSUFCQWBZZVFW-IUCAKERBSA-N -1 3 255.339 1.735 20 10 CDCDHM C[C@H](CC[S@@](C)=O)NC(=O)c1cc([O-])cs1 ZINC000748373622 576909578 /nfs/dbraw/zinc/90/95/78/576909578.db2.gz YVMYCSMQDCDEIC-VGDKGRGNSA-N -1 3 261.368 1.341 20 10 CDCDHM C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000756770098 577003687 /nfs/dbraw/zinc/00/36/87/577003687.db2.gz QPTSIXPPAJNHEC-HTQZYQBOSA-N -1 3 293.335 1.754 20 10 CDCDHM C[C@@H](NC[C@H](C)S(C)(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000756770099 577003776 /nfs/dbraw/zinc/00/37/76/577003776.db2.gz QPTSIXPPAJNHEC-JGVFFNPUSA-N -1 3 293.335 1.754 20 10 CDCDHM Cc1ccc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)cn1 ZINC000893206325 617460858 /nfs/dbraw/zinc/46/08/58/617460858.db2.gz AMSAFRQXGZQKTA-VOTSOKGWSA-N -1 3 296.330 1.878 20 10 CDCDHM COC(=O)N1CC(C)(NCc2cc(F)cc(F)c2[O-])C1 ZINC000894542065 618951907 /nfs/dbraw/zinc/95/19/07/618951907.db2.gz WUYRZZFQKICXPQ-UHFFFAOYSA-N -1 3 286.278 1.601 20 10 CDCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@@]1(CO)CCOC1 ZINC000895385449 619626457 /nfs/dbraw/zinc/62/64/57/619626457.db2.gz CFBXSTOTTRZDIU-CYBMUJFWSA-N -1 3 273.279 1.254 20 10 CDCDHM CC(C)[C@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959849 1173211228 /nfs/dbraw/zinc/21/12/28/1173211228.db2.gz VZLVIDWYGJQTOW-JOYOIKCWSA-N -1 3 291.355 1.240 20 10 CDCDHM C[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589998330 1173227554 /nfs/dbraw/zinc/22/75/54/1173227554.db2.gz RKGQXFXBNMKENH-ZJUUUORDSA-N -1 3 291.355 1.384 20 10 CDCDHM [O-]c1c(Cl)cccc1CN1CCSC[C@H]1CO ZINC000877780389 1166097858 /nfs/dbraw/zinc/09/78/58/1166097858.db2.gz OWWJUCKLDTWZTE-SNVBAGLBSA-N -1 3 273.785 1.955 20 10 CDCDHM O=C(NC[C@H](O)c1ccccc1F)c1cccc(O)c1[O-] ZINC000187161447 844493797 /nfs/dbraw/zinc/49/37/97/844493797.db2.gz XRFHCFCIOGKFGG-ZDUSSCGKSA-N -1 3 291.278 1.700 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(N)=O)c1[O-] ZINC000050133232 844633430 /nfs/dbraw/zinc/63/34/30/844633430.db2.gz KAJMDIOVRKDAGP-LBPRGKRZSA-N -1 3 280.299 1.184 20 10 CDCDHM CCNC(=O)CN(CC)Cc1cc(F)cc(F)c1[O-] ZINC000708412081 843302575 /nfs/dbraw/zinc/30/25/75/843302575.db2.gz FREIZQNSEKFXLH-UHFFFAOYSA-N -1 3 272.295 1.628 20 10 CDCDHM CC(C)[C@H](C[NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000848640408 844655506 /nfs/dbraw/zinc/65/55/06/844655506.db2.gz RFQFVAWRMNOMFZ-NSHDSACASA-N -1 3 255.289 1.978 20 10 CDCDHM O=C(N[C@H]1CCn2ccnc2C1)c1cccc(O)c1[O-] ZINC000790943833 844668959 /nfs/dbraw/zinc/66/89/59/844668959.db2.gz SJVYFVWVRZUBOJ-VIFPVBQESA-N -1 3 273.292 1.039 20 10 CDCDHM O=S1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000132682665 844829211 /nfs/dbraw/zinc/82/92/11/844829211.db2.gz YBQSHCAJZXGLAC-UHFFFAOYSA-N -1 3 259.758 1.610 20 10 CDCDHM [O-]c1cc(Br)ccc1CN1CCOCC1 ZINC000257870301 844956754 /nfs/dbraw/zinc/95/67/54/844956754.db2.gz AKFVMEPRPUZGJW-UHFFFAOYSA-N -1 3 272.142 1.987 20 10 CDCDHM COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000787499844 845191755 /nfs/dbraw/zinc/19/17/55/845191755.db2.gz AZWUZMMEODKNCX-IUCAKERBSA-N -1 3 279.292 1.121 20 10 CDCDHM O=C(NCc1ccccc1O)c1cccc(O)c1[O-] ZINC000126577970 845414835 /nfs/dbraw/zinc/41/48/35/845414835.db2.gz LEYZVBWPFGWKFF-UHFFFAOYSA-N -1 3 259.261 1.733 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCc2c[nH]nc2C1 ZINC000396858467 845534277 /nfs/dbraw/zinc/53/42/77/845534277.db2.gz UQFNSCYQOAINGX-UHFFFAOYSA-N -1 3 259.265 1.019 20 10 CDCDHM CC(=O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000854732040 845593881 /nfs/dbraw/zinc/59/38/81/845593881.db2.gz PGQRKXHOLZELEB-NSHDSACASA-N -1 3 263.293 1.682 20 10 CDCDHM O=C(NCCc1cn2ccccc2n1)c1cccc(O)c1[O-] ZINC000186840123 845713439 /nfs/dbraw/zinc/71/34/39/845713439.db2.gz XCCPXJSVXYYDDC-UHFFFAOYSA-N -1 3 297.314 1.718 20 10 CDCDHM CN1CN(Cc2ccc3ccccc3c2[O-])CC1=O ZINC000816566517 845862752 /nfs/dbraw/zinc/86/27/52/845862752.db2.gz XYZKQCCYXDIENI-UHFFFAOYSA-N -1 3 256.305 1.777 20 10 CDCDHM Cc1noc(CN(C)Cc2cc(F)ccc2[O-])n1 ZINC000848927698 846562502 /nfs/dbraw/zinc/56/25/02/846562502.db2.gz LKUCMBIPGUULQH-UHFFFAOYSA-N -1 3 251.261 1.855 20 10 CDCDHM CCC1(CC)CNC(=O)[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000886727041 846649647 /nfs/dbraw/zinc/64/96/47/846649647.db2.gz ZIBLSTGAKRPPFF-GFCCVEGCSA-N -1 3 292.335 1.132 20 10 CDCDHM C[C@H]1CN=C(NC(=O)c2cccc(O)c2[O-])S1 ZINC000819782745 846814191 /nfs/dbraw/zinc/81/41/91/846814191.db2.gz QBPAEMAUYGGQGR-LURJTMIESA-N -1 3 252.295 1.319 20 10 CDCDHM CN(C)c1nc(CNC(=O)c2cccc(O)c2[O-])cs1 ZINC000790844773 847269411 /nfs/dbraw/zinc/26/94/11/847269411.db2.gz WJLVPIBCCKZDKL-UHFFFAOYSA-N -1 3 293.348 1.550 20 10 CDCDHM [O-]c1ccc(Cl)cc1CN1CCn2cnnc2C1 ZINC000156045915 847344022 /nfs/dbraw/zinc/34/40/22/847344022.db2.gz VNPRHNGUKPYPOS-UHFFFAOYSA-N -1 3 264.716 1.653 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001137832966 936417602 /nfs/dbraw/zinc/41/76/02/936417602.db2.gz OALDMTYMLIJFNS-PSOPSSQASA-N -1 3 281.327 1.503 20 10 CDCDHM [O-]c1cccc(F)c1CN1CCN(c2cnccn2)CC1 ZINC001137832078 936416844 /nfs/dbraw/zinc/41/68/44/936416844.db2.gz ZYTXHBCIJHSEIM-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM [O-]c1cccc(F)c1CN1C[C@@H](F)C[C@H](CO)C1 ZINC001137831558 936416987 /nfs/dbraw/zinc/41/69/87/936416987.db2.gz DYYZMLRMKIOMJV-UWVGGRQHSA-N -1 3 257.280 1.684 20 10 CDCDHM [O-]c1c(F)ccc(F)c1CN1CCc2nccn2CC1 ZINC001139686025 936636034 /nfs/dbraw/zinc/63/60/34/936636034.db2.gz KIOQIVRYWWBKCV-UHFFFAOYSA-N -1 3 279.290 1.925 20 10 CDCDHM C[C@@H]1CNC(=O)CN1Cc1cc(Cl)ccc1[O-] ZINC001203663728 920572783 /nfs/dbraw/zinc/57/27/83/920572783.db2.gz FYYZXXBODJILRC-MRVPVSSYSA-N -1 3 254.717 1.366 20 10 CDCDHM CN(Cc1c([O-])cccc1Br)C1COC1 ZINC001140100796 936678377 /nfs/dbraw/zinc/67/83/77/936678377.db2.gz BXGUPKXVKRBWPU-UHFFFAOYSA-N -1 3 272.142 1.985 20 10 CDCDHM C[C@@]1(CO)CN(Cc2cc(F)c(F)cc2[O-])CC[C@@H]1O ZINC001142508868 937025468 /nfs/dbraw/zinc/02/54/68/937025468.db2.gz OLULNTWXSYMYSA-KBPBESRZSA-N -1 3 287.306 1.236 20 10 CDCDHM Cc1cnc(CCNC(=O)c2cccc(O)c2[O-])nc1 ZINC001148212522 932668043 /nfs/dbraw/zinc/66/80/43/932668043.db2.gz BJVQTHIEVAHRQL-UHFFFAOYSA-N -1 3 273.292 1.169 20 10 CDCDHM O=C(NCc1ccc(O)cc1F)c1cc(O)c([O-])c(O)c1 ZINC001148591333 932755225 /nfs/dbraw/zinc/75/52/25/932755225.db2.gz YCHOLWQXHBNQRA-UHFFFAOYSA-N -1 3 293.250 1.578 20 10 CDCDHM CC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453902 942899463 /nfs/dbraw/zinc/89/94/63/942899463.db2.gz LZKPXOXNVUMGOI-LLVKDONJSA-N -1 3 263.293 1.501 20 10 CDCDHM CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453902 942899470 /nfs/dbraw/zinc/89/94/70/942899470.db2.gz LZKPXOXNVUMGOI-LLVKDONJSA-N -1 3 263.293 1.501 20 10 CDCDHM C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@]1(C)O ZINC001231560378 942925256 /nfs/dbraw/zinc/92/52/56/942925256.db2.gz IGCBURGKCZIRSD-BMIGLBTASA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@]1(C)O ZINC001231560378 942925258 /nfs/dbraw/zinc/92/52/58/942925258.db2.gz IGCBURGKCZIRSD-BMIGLBTASA-N -1 3 279.336 1.683 20 10 CDCDHM COC(=O)[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@@H]1C ZINC001231568818 942931965 /nfs/dbraw/zinc/93/19/65/942931965.db2.gz PMUZLMPESAGZJP-CABZTGNLSA-N -1 3 293.319 1.331 20 10 CDCDHM COC(=O)[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C[C@@H]1C ZINC001231568818 942931970 /nfs/dbraw/zinc/93/19/70/942931970.db2.gz PMUZLMPESAGZJP-CABZTGNLSA-N -1 3 293.319 1.331 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CCN([C@@H]2CCOC2)CC1 ZINC001233331891 943546937 /nfs/dbraw/zinc/54/69/37/943546937.db2.gz OYNQTNYFIGOFDV-LLVKDONJSA-N -1 3 298.333 1.577 20 10 CDCDHM CNC(=O)N[C@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336167 943548589 /nfs/dbraw/zinc/54/85/89/943548589.db2.gz BDFKIAWINCBYLL-VIFPVBQESA-N -1 3 299.321 1.564 20 10 CDCDHM C[C@@H]1CNC(=O)CN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455048 943587617 /nfs/dbraw/zinc/58/76/17/943587617.db2.gz UDTDLOAFTUGCGU-MRVPVSSYSA-N -1 3 288.269 1.731 20 10 CDCDHM COc1cc([O-])c(CN2CC[C@@H](O)[C@H](F)C2)c(Cl)c1 ZINC001236799618 944572645 /nfs/dbraw/zinc/57/26/45/944572645.db2.gz SYWZQFKREPKEQB-VXGBXAGGSA-N -1 3 289.734 1.959 20 10 CDCDHM O=C(NCc1c([O-])cccc1F)c1cnns1 ZINC001303878054 945829272 /nfs/dbraw/zinc/82/92/72/945829272.db2.gz KYUMSRWSYYZRJW-UHFFFAOYSA-N -1 3 253.258 1.313 20 10 CDCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CC(=O)N1C ZINC001308716296 956568998 /nfs/dbraw/zinc/56/89/98/956568998.db2.gz UZEJTFXQKKQHLD-SECBINFHSA-N -1 3 268.744 1.708 20 10 CDCDHM COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001347396694 965507914 /nfs/dbraw/zinc/50/79/14/965507914.db2.gz ZTGHCLMSCIUIDI-CMPLNLGQSA-N -1 3 299.754 1.462 20 10 CDCDHM C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593211220 994262702 /nfs/dbraw/zinc/26/27/02/994262702.db2.gz VWBNJLPXSSEPFJ-APPZFPTMSA-N -1 3 289.278 1.757 20 10 CDCDHM C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353498 994980801 /nfs/dbraw/zinc/98/08/01/994980801.db2.gz YLCONDVUKSDWMS-IUCAKERBSA-N -1 3 267.325 1.900 20 10 CDCDHM COC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001599176994 996867026 /nfs/dbraw/zinc/86/70/26/996867026.db2.gz KBWDJKUFKKZNMP-SECBINFHSA-N -1 3 289.715 1.243 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@@H]2C(=O)NCC[C@H]2C)c1[O-] ZINC000193595835 342565980 /nfs/dbraw/zinc/56/59/80/342565980.db2.gz OHZHRYGKFSEKJS-OQPBUACISA-N -1 3 294.326 1.348 20 10 CDCDHM COC(=O)C1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000267540928 363841592 /nfs/dbraw/zinc/84/15/92/363841592.db2.gz ACDBRPQBEVGAES-UHFFFAOYSA-N -1 3 293.319 1.431 20 10 CDCDHM COCCN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272305363 365180953 /nfs/dbraw/zinc/18/09/53/365180953.db2.gz QOKJULQIXPYHCW-UHFFFAOYSA-N -1 3 268.332 1.295 20 10 CDCDHM O=C(/C=C/c1ccc(O)c(O)c1)[N-]O[C@@H]1CCCCO1 ZINC000272432511 365234739 /nfs/dbraw/zinc/23/47/39/365234739.db2.gz LKTFKAWLWPVKDS-HZRUHFOJSA-N -1 3 279.292 1.685 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCSC2)c([O-])c1O ZINC000272705840 365359137 /nfs/dbraw/zinc/35/91/37/365359137.db2.gz CEVPOKSXGKAMRJ-MRVPVSSYSA-N -1 3 253.323 1.642 20 10 CDCDHM CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272739112 365374705 /nfs/dbraw/zinc/37/47/05/365374705.db2.gz LRUSQWNQMLMNMG-SCZZXKLOSA-N -1 3 285.365 1.248 20 10 CDCDHM [O-]c1ccccc1CN1CCN(c2ncc(F)cn2)CC1 ZINC000273756025 365522269 /nfs/dbraw/zinc/52/22/69/365522269.db2.gz OJWFFMQQLQXQHO-UHFFFAOYSA-N -1 3 288.326 1.644 20 10 CDCDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000193145010 533080015 /nfs/dbraw/zinc/08/00/15/533080015.db2.gz WIJPFBHEXMDXTP-JTQLQIEISA-N -1 3 251.282 1.253 20 10 CDCDHM COC[C@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182236319 391232661 /nfs/dbraw/zinc/23/26/61/391232661.db2.gz NLNVMIYFTKSMPA-MRVPVSSYSA-N -1 3 253.298 1.419 20 10 CDCDHM CCCCCN(CC(N)=O)C(=O)c1ccc(C)c(O)c1[O-] ZINC000183090412 391251572 /nfs/dbraw/zinc/25/15/72/391251572.db2.gz GJRZCUZDXXZDDP-UHFFFAOYSA-N -1 3 294.351 1.524 20 10 CDCDHM COC(=O)CN(C)Cc1cc(Br)ccc1[O-] ZINC000179392625 391203815 /nfs/dbraw/zinc/20/38/15/391203815.db2.gz XDTKGQQEBFHSQD-UHFFFAOYSA-N -1 3 288.141 1.760 20 10 CDCDHM CCC(O)(CC)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179521110 391209695 /nfs/dbraw/zinc/20/96/95/391209695.db2.gz XPFQHXVASXVDPW-UHFFFAOYSA-N -1 3 267.325 1.687 20 10 CDCDHM Cc1ccc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)c([O-])c1O ZINC000182450644 261938491 /nfs/dbraw/zinc/93/84/91/261938491.db2.gz UJMZIJJFJRMYOP-LLVKDONJSA-N -1 3 292.335 1.145 20 10 CDCDHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccccc1[O-] ZINC000360001739 329069821 /nfs/dbraw/zinc/06/98/21/329069821.db2.gz WOPODKIIWWGGTG-STQMWFEESA-N -1 3 279.336 1.545 20 10 CDCDHM CC(=O)c1cc(F)cc(CN(C)CC[C@@H](C)O)c1[O-] ZINC000079464780 330332664 /nfs/dbraw/zinc/33/26/64/330332664.db2.gz FEPGZQIWDOESOB-SECBINFHSA-N -1 3 269.316 1.937 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001142509032 1160689419 /nfs/dbraw/zinc/68/94/19/1160689419.db2.gz URKLVHMUEPGVFN-UFBFGSQYSA-N -1 3 261.243 1.575 20 10 CDCDHM COCC[C@H]1COCCN1Cc1ccccc1[O-] ZINC000291024149 521994372 /nfs/dbraw/zinc/99/43/72/521994372.db2.gz AORWYUINXRRJAH-ZDUSSCGKSA-N -1 3 251.326 1.630 20 10 CDCDHM COC[C@H](CO)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000234786812 522685906 /nfs/dbraw/zinc/68/59/06/522685906.db2.gz ZAJGUJCDLNUTOH-VIFPVBQESA-N -1 3 280.151 1.796 20 10 CDCDHM CO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279110742 523581883 /nfs/dbraw/zinc/58/18/83/523581883.db2.gz WFNZXVASAMRRSM-ZYHUDNBSSA-N -1 3 265.309 1.785 20 10 CDCDHM COc1ccc(N(Cc2nc(=O)[n-][nH]2)[C@@H](C)C2CC2)cc1 ZINC000122194754 524370482 /nfs/dbraw/zinc/37/04/82/524370482.db2.gz CVQZKWOAYSBWSD-JTQLQIEISA-N -1 3 288.351 1.912 20 10 CDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCOC1 ZINC000126569234 525233053 /nfs/dbraw/zinc/23/30/53/525233053.db2.gz LDAJDXXEWZQKKM-IUCAKERBSA-N -1 3 251.282 1.253 20 10 CDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCCO1 ZINC000279753101 525343747 /nfs/dbraw/zinc/34/37/47/525343747.db2.gz CRYOPRWEZOKMKU-SKDRFNHKSA-N -1 3 265.309 1.785 20 10 CDCDHM CN(Cc1cc(Cl)ccc1[O-])[C@@H]1CCNC1=O ZINC000770380068 575442538 /nfs/dbraw/zinc/44/25/38/575442538.db2.gz LIQOKAARCMNUCG-SNVBAGLBSA-N -1 3 254.717 1.366 20 10 CDCDHM O=C([O-])[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccccc1[O-] ZINC001601640377 1174923896 /nfs/dbraw/zinc/92/38/96/1174923896.db2.gz BOCSAICTYWYKEY-VXGBXAGGSA-N -1 3 265.309 1.504 20 10 CDCDHM O=C(NC[C@H](O)c1ccccc1)c1cc([O-])cs1 ZINC000731866102 575066902 /nfs/dbraw/zinc/06/69/02/575066902.db2.gz QPGWGGFDQGLPEI-NSHDSACASA-N -1 3 263.318 1.917 20 10 CDCDHM O=C(NCc1nc(C2CC2)no1)c1cc([O-])cs1 ZINC000731871667 575067080 /nfs/dbraw/zinc/06/70/80/575067080.db2.gz PUPMTYCLPWCVLD-UHFFFAOYSA-N -1 3 265.294 1.644 20 10 CDCDHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000731871231 575067113 /nfs/dbraw/zinc/06/71/13/575067113.db2.gz HEUKJROZJIGEQT-YUMQZZPRSA-N -1 3 270.354 1.487 20 10 CDCDHM CCCNC(=O)CCNC(=O)c1cc([O-])cs1 ZINC000732276186 575085854 /nfs/dbraw/zinc/08/58/54/575085854.db2.gz WDIOSKHLGJKGEH-UHFFFAOYSA-N -1 3 256.327 1.100 20 10 CDCDHM O=C(NCCOC[C@H]1CCOC1)c1cc([O-])cs1 ZINC000732291018 575087294 /nfs/dbraw/zinc/08/72/94/575087294.db2.gz MNZYTXGQIWBRND-VIFPVBQESA-N -1 3 271.338 1.237 20 10 CDCDHM CCc1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000732353107 575088155 /nfs/dbraw/zinc/08/81/55/575088155.db2.gz CUZSZQAYWOXUEZ-UHFFFAOYSA-N -1 3 254.267 1.756 20 10 CDCDHM C[C@@H]1CN(C(=O)COC(=O)c2cc([O-])cs2)C[C@@H](C)O1 ZINC000732355021 575088205 /nfs/dbraw/zinc/08/82/05/575088205.db2.gz ZYXNIXYIDHYXBF-RKDXNWHRSA-N -1 3 299.348 1.246 20 10 CDCDHM CN(Cc1nccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768466415 576287843 /nfs/dbraw/zinc/28/78/43/576287843.db2.gz QAKJSSDJEIRKFZ-GFCCVEGCSA-N -1 3 292.360 1.907 20 10 CDCDHM CCOc1ccc(CN2CCNC(=O)[C@@H]2CC)c([O-])c1 ZINC000769319841 576345398 /nfs/dbraw/zinc/34/53/98/576345398.db2.gz AAZPBWVCFOMRCI-ZDUSSCGKSA-N -1 3 278.352 1.501 20 10 CDCDHM CCOc1ccc(CN2CC[S@](=O)C[C@@H](C)C2)c([O-])c1 ZINC000763650795 576745423 /nfs/dbraw/zinc/74/54/23/576745423.db2.gz ZSUFWAZFAXNCCX-YUNKPMOVSA-N -1 3 297.420 1.991 20 10 CDCDHM CC(=O)NC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000751536299 577048999 /nfs/dbraw/zinc/04/89/99/577048999.db2.gz YFDRTVRNBBCGEX-UHFFFAOYSA-N -1 3 292.335 1.147 20 10 CDCDHM CN(C)c1ccc(CNC(=O)c2ccc(N)cc2[O-])cc1 ZINC000752517562 577111446 /nfs/dbraw/zinc/11/14/46/577111446.db2.gz TYRPZNZHUDUBSE-UHFFFAOYSA-N -1 3 285.347 1.970 20 10 CDCDHM CCN1CCO[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759384 617320870 /nfs/dbraw/zinc/32/08/70/617320870.db2.gz AITVYPGRURSSLT-LBPRGKRZSA-N -1 3 298.770 1.383 20 10 CDCDHM CC[C@@H](CO)[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590472272 1173423981 /nfs/dbraw/zinc/42/39/81/1173423981.db2.gz RFRORQAZZKMDEK-CABZTGNLSA-N -1 3 291.355 1.384 20 10 CDCDHM C[C@H]1C(=O)NCCN1Cc1c([O-])cccc1Br ZINC000862235838 698039150 /nfs/dbraw/zinc/03/91/50/698039150.db2.gz CZCUSGALKWZRDS-QMMMGPOBSA-N -1 3 299.168 1.475 20 10 CDCDHM Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c([O-])c1O ZINC000179383504 698134497 /nfs/dbraw/zinc/13/44/97/698134497.db2.gz GTVLJQJRIMIYIY-UHFFFAOYSA-N -1 3 286.287 1.757 20 10 CDCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](O)[C@H](CO)C1 ZINC000840974912 698300123 /nfs/dbraw/zinc/30/01/23/698300123.db2.gz JKTPWQBGOJVCFM-KWQFWETISA-N -1 3 289.734 1.360 20 10 CDCDHM CCO[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126329602 698578741 /nfs/dbraw/zinc/57/87/41/698578741.db2.gz CEZDTCOTDHADDU-JTQLQIEISA-N -1 3 265.309 1.739 20 10 CDCDHM Cn1cc([C@@H](CO)NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000790980821 698923501 /nfs/dbraw/zinc/92/35/01/698923501.db2.gz PZTXOBKSBDPCGL-LLVKDONJSA-N -1 3 299.733 1.741 20 10 CDCDHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(O)cc1F ZINC000085203941 704886721 /nfs/dbraw/zinc/88/67/21/704886721.db2.gz WQRAMHYGZVWYMR-SECBINFHSA-N -1 3 275.301 1.452 20 10 CDCDHM CCCCOC(=O)C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000848326896 705006429 /nfs/dbraw/zinc/00/64/29/705006429.db2.gz QSCHKOYSAMKYNO-UHFFFAOYSA-N -1 3 295.335 1.950 20 10 CDCDHM C[C@@H]1CCCN1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000830184472 848734340 /nfs/dbraw/zinc/73/43/40/848734340.db2.gz HWDOUOCUMAHEGY-SSDOTTSWSA-N -1 3 292.307 1.811 20 10 CDCDHM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000790759161 849369934 /nfs/dbraw/zinc/36/99/34/849369934.db2.gz GJSFOIJRESQTSE-XPTSAGLGSA-N -1 3 267.325 1.625 20 10 CDCDHM CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cccc(O)c1[O-] ZINC000790944097 849917643 /nfs/dbraw/zinc/91/76/43/849917643.db2.gz WAILKWDJPKLYRW-LLVKDONJSA-N -1 3 292.335 1.181 20 10 CDCDHM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000383285462 850058412 /nfs/dbraw/zinc/05/84/12/850058412.db2.gz LWEPOQXZSKSBRT-UHFFFAOYSA-N -1 3 293.279 1.599 20 10 CDCDHM CO[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000825024137 850062917 /nfs/dbraw/zinc/06/29/17/850062917.db2.gz KLXNFJPLNICHFG-VXGBXAGGSA-N -1 3 275.707 1.376 20 10 CDCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ncc[nH]1 ZINC000126560037 850161119 /nfs/dbraw/zinc/16/11/19/850161119.db2.gz USLFRPSGQRYZAA-SECBINFHSA-N -1 3 261.281 1.702 20 10 CDCDHM N[C@@]1(C(F)(F)F)CCN(Cc2c([O-])cccc2F)C1 ZINC001206222982 913044973 /nfs/dbraw/zinc/04/49/73/913044973.db2.gz RQCGCYTXXAVRQF-NSHDSACASA-N -1 3 278.249 1.997 20 10 CDCDHM C[C@@H](O)CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181357736 917017716 /nfs/dbraw/zinc/01/77/16/917017716.db2.gz RLGDHYROWAGBHO-MRVPVSSYSA-N -1 3 294.738 1.981 20 10 CDCDHM CC(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC001140342446 936704021 /nfs/dbraw/zinc/70/40/21/936704021.db2.gz JGFVTAPISTUYII-ZDUSSCGKSA-N -1 3 269.728 1.835 20 10 CDCDHM CN(C)c1cc(NC(=O)c2cc(O)c([O-])c(Cl)c2)n[nH]1 ZINC001193605960 923835555 /nfs/dbraw/zinc/83/55/55/923835555.db2.gz OSIWCPFMGCQCPP-UHFFFAOYSA-N -1 3 296.714 1.793 20 10 CDCDHM O=C(NC1(c2cccnn2)CC1)c1cccc(O)c1[O-] ZINC001148220072 932671942 /nfs/dbraw/zinc/67/19/42/932671942.db2.gz OIIUCORQALHBSS-UHFFFAOYSA-N -1 3 271.276 1.307 20 10 CDCDHM O=C(Nc1noc2cnccc21)c1cc(O)c([O-])c(O)c1 ZINC001148582153 932750193 /nfs/dbraw/zinc/75/01/93/932750193.db2.gz YVUDASHVAGVYOA-UHFFFAOYSA-N -1 3 287.231 1.592 20 10 CDCDHM CCCN(CCOC)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581777 932751108 /nfs/dbraw/zinc/75/11/08/932751108.db2.gz WBVHZCQNJAGLJL-UHFFFAOYSA-N -1 3 269.297 1.302 20 10 CDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001148583238 932751718 /nfs/dbraw/zinc/75/17/18/932751718.db2.gz VAHSSTALEICIJN-CIUDSAMLSA-N -1 3 267.256 1.233 20 10 CDCDHM COC(=O)CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203657128 939699933 /nfs/dbraw/zinc/69/99/33/939699933.db2.gz FPKNWGJNLPPKCH-UHFFFAOYSA-N -1 3 298.770 1.336 20 10 CDCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C[C@H]2CCCN12 ZINC001203664029 939700592 /nfs/dbraw/zinc/70/05/92/939700592.db2.gz MKWWLUURYVHRAE-GFCCVEGCSA-N -1 3 280.755 1.852 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CCCC[C@@](O)(CF)C2)c([O-])c1 ZINC001231447443 942894037 /nfs/dbraw/zinc/89/40/37/942894037.db2.gz UEMLLPGOANQABI-OAHLLOKOSA-N -1 3 297.326 1.777 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c([O-])c1 ZINC001231447443 942894039 /nfs/dbraw/zinc/89/40/39/942894039.db2.gz UEMLLPGOANQABI-OAHLLOKOSA-N -1 3 297.326 1.777 20 10 CDCDHM COC(=O)CC[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453223 942896663 /nfs/dbraw/zinc/89/66/63/942896663.db2.gz DSWDAFBSRZVBEB-UHFFFAOYSA-N -1 3 267.281 1.085 20 10 CDCDHM COC(=O)CC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453223 942896665 /nfs/dbraw/zinc/89/66/65/942896665.db2.gz DSWDAFBSRZVBEB-UHFFFAOYSA-N -1 3 267.281 1.085 20 10 CDCDHM CN1CCC[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231454284 942898342 /nfs/dbraw/zinc/89/83/42/942898342.db2.gz PKKYFEHSPRLIAD-JSGCOSHPSA-N -1 3 290.363 1.616 20 10 CDCDHM CN1CCC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231454284 942898344 /nfs/dbraw/zinc/89/83/44/942898344.db2.gz PKKYFEHSPRLIAD-JSGCOSHPSA-N -1 3 290.363 1.616 20 10 CDCDHM C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])[C@@H]1CO ZINC001231560457 942925352 /nfs/dbraw/zinc/92/53/52/942925352.db2.gz IPOICYROPMSHQF-GXFFZTMASA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])[C@@H]1CO ZINC001231560457 942925356 /nfs/dbraw/zinc/92/53/56/942925356.db2.gz IPOICYROPMSHQF-GXFFZTMASA-N -1 3 279.336 1.683 20 10 CDCDHM CN1CCCN(Cc2cc(Cl)c([O-])cc2O)CC1=O ZINC001232264462 943195193 /nfs/dbraw/zinc/19/51/93/943195193.db2.gz CEMFQFJLUXRCBD-UHFFFAOYSA-N -1 3 284.743 1.415 20 10 CDCDHM [O-]c1c(CN2CC(N3CCCC3)C2)ccc(F)c1F ZINC001233077151 943486402 /nfs/dbraw/zinc/48/64/02/943486402.db2.gz GZOCPPIGDAWGNW-UHFFFAOYSA-N -1 3 268.307 1.950 20 10 CDCDHM O=C1COC2(C1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233332210 943545398 /nfs/dbraw/zinc/54/53/98/943545398.db2.gz CIPMKSLSQJDMGM-UHFFFAOYSA-N -1 3 297.301 1.994 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](F)[C@H](O)C1 ZINC001233331988 943546203 /nfs/dbraw/zinc/54/62/03/943546203.db2.gz SMBJMBOQJSXNKX-LDYMZIIASA-N -1 3 261.243 1.575 20 10 CDCDHM CC(=O)NC1CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233454065 943588558 /nfs/dbraw/zinc/58/85/58/943588558.db2.gz FNTSEVPFIZDXSL-UHFFFAOYSA-N -1 3 288.269 1.731 20 10 CDCDHM COc1cc([O-])c(CN2CC(N(C)C(C)=O)C2)c(Cl)c1 ZINC001236803574 944573159 /nfs/dbraw/zinc/57/31/59/944573159.db2.gz PAHRDDJBXXFNQN-UHFFFAOYSA-N -1 3 298.770 1.717 20 10 CDCDHM CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2[O-])C1 ZINC000703748430 977185769 /nfs/dbraw/zinc/18/57/69/977185769.db2.gz IDRMIMSSPMQJJL-ZDUSSCGKSA-N -1 3 251.282 1.068 20 10 CDCDHM CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000703748430 977185771 /nfs/dbraw/zinc/18/57/71/977185771.db2.gz IDRMIMSSPMQJJL-ZDUSSCGKSA-N -1 3 251.282 1.068 20 10 CDCDHM C[C@H](CCO)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592529936 978392036 /nfs/dbraw/zinc/39/20/36/978392036.db2.gz JDAPIYNAGOXPJI-ZJUUUORDSA-N -1 3 267.325 1.760 20 10 CDCDHM C[C@@H]([NH2+]CC1(C)COC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247568 994465114 /nfs/dbraw/zinc/46/51/14/994465114.db2.gz GLKLVCRGUAPJHD-SECBINFHSA-N -1 3 265.309 1.778 20 10 CDCDHM COCCOC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599248924 998194922 /nfs/dbraw/zinc/19/49/22/998194922.db2.gz ACNPNDIFBDOXKR-WDEREUQCSA-N -1 3 297.351 1.793 20 10 CDCDHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(F)ccc1[O-] ZINC000180159622 357248201 /nfs/dbraw/zinc/24/82/01/357248201.db2.gz MLJJAFRGQNYEMK-ZJUUUORDSA-N -1 3 289.372 1.785 20 10 CDCDHM COC(=O)[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](C)O1 ZINC000180277111 357257636 /nfs/dbraw/zinc/25/76/36/357257636.db2.gz UTEGJFHBUDNJAU-NOZJJQNGSA-N -1 3 283.299 1.294 20 10 CDCDHM Cc1ccc(C(=O)N[C@H]2C[C@H](O)C2(C)C)c([O-])c1O ZINC000190590303 358083020 /nfs/dbraw/zinc/08/30/20/358083020.db2.gz IXEQGFHEWLUUFR-UWVGGRQHSA-N -1 3 265.309 1.295 20 10 CDCDHM COc1c([O-])c(CN2CCCOCC2)ccc1[N+](=O)[O-] ZINC000365496883 359500758 /nfs/dbraw/zinc/50/07/58/359500758.db2.gz WDCNJBLGCWQDEW-UHFFFAOYSA-N -1 3 282.296 1.531 20 10 CDCDHM C[C@H]1c2nncn2CCN1Cc1cc2c(cc1[O-])OCO2 ZINC000276784466 291330514 /nfs/dbraw/zinc/33/05/14/291330514.db2.gz KBACXPLECZMUBW-VIFPVBQESA-N -1 3 288.307 1.289 20 10 CDCDHM Cc1ccc(C(=O)N[C@H](C)c2nncn2C)c([O-])c1O ZINC000271286458 364980014 /nfs/dbraw/zinc/98/00/14/364980014.db2.gz PEMDBLIIKOWTNV-MRVPVSSYSA-N -1 3 276.296 1.026 20 10 CDCDHM Cc1ccc(C(=O)NCC2(C)CCOCC2)c([O-])c1O ZINC000272767975 365388103 /nfs/dbraw/zinc/38/81/03/365388103.db2.gz ROLXBCIBJBNMLY-UHFFFAOYSA-N -1 3 279.336 1.953 20 10 CDCDHM Cc1ccc(C(=O)NCC2([S@](C)=O)CCC2)c([O-])c1O ZINC000281716605 367677863 /nfs/dbraw/zinc/67/78/63/367677863.db2.gz DVHWARAODHTTDT-FQEVSTJZSA-N -1 3 297.376 1.437 20 10 CDCDHM CC1(O)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126494201 375003740 /nfs/dbraw/zinc/00/37/40/375003740.db2.gz VBIASTZYJXNIGY-UHFFFAOYSA-N -1 3 251.282 1.085 20 10 CDCDHM Cc1nnc([C@@H](C)NC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000286279418 377879439 /nfs/dbraw/zinc/87/94/39/377879439.db2.gz GTNRUNBVRHURQX-ZCFIWIBFSA-N -1 3 262.269 1.015 20 10 CDCDHM CC(C)N(CC(N)=O)Cc1cccc(Cl)c1[O-] ZINC000124514760 390915175 /nfs/dbraw/zinc/91/51/75/390915175.db2.gz NZCOGHHNTXMTHS-UHFFFAOYSA-N -1 3 256.733 1.741 20 10 CDCDHM CC1(NC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000126553725 390921166 /nfs/dbraw/zinc/92/11/66/390921166.db2.gz PTOZAILEYYWGCW-UHFFFAOYSA-N -1 3 251.282 1.397 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000376231964 391218851 /nfs/dbraw/zinc/21/88/51/391218851.db2.gz UBXSTVABHHRFMW-DGCLKSJQSA-N -1 3 293.319 1.118 20 10 CDCDHM CCCCCN1CC(=O)N[C@H]1c1cc2c(cc1[O-])OCO2 ZINC000182333806 391233941 /nfs/dbraw/zinc/23/39/41/391233941.db2.gz BPQUQFAUWULELZ-OAHLLOKOSA-N -1 3 292.335 1.742 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCNC(=O)C2)c1[O-] ZINC000179561880 391210811 /nfs/dbraw/zinc/21/08/11/391210811.db2.gz FSDJJRZLQVCZOW-UHFFFAOYSA-N -1 3 254.717 1.286 20 10 CDCDHM CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276145051 285575537 /nfs/dbraw/zinc/57/55/37/285575537.db2.gz CXVJVJNPRVKORC-YUMQZZPRSA-N -1 3 272.295 1.846 20 10 CDCDHM O=C(N[C@H]1CCCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000126382122 260349708 /nfs/dbraw/zinc/34/97/08/260349708.db2.gz YNZQVYNKTDSVIN-UWVGGRQHSA-N -1 3 251.282 1.131 20 10 CDCDHM C[C@@H](CCCO)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589821884 1173187470 /nfs/dbraw/zinc/18/74/70/1173187470.db2.gz YTRZJMQZHGQANS-UWVGGRQHSA-N -1 3 291.355 1.384 20 10 CDCDHM COc1cc(Cl)cc(CN2CCNC(=O)C2(C)C)c1[O-] ZINC000184688688 262026129 /nfs/dbraw/zinc/02/61/29/262026129.db2.gz HSSWCOJKODALND-UHFFFAOYSA-N -1 3 298.770 1.765 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000363926644 262036419 /nfs/dbraw/zinc/03/64/19/262036419.db2.gz KHIGWCBZEZBHBZ-QWHCGFSZSA-N -1 3 293.319 1.118 20 10 CDCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000126260656 264202198 /nfs/dbraw/zinc/20/21/98/264202198.db2.gz LVZBTXILYDPCIW-VIFPVBQESA-N -1 3 251.282 1.349 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@H]2CO)c1[O-] ZINC000189698624 264322729 /nfs/dbraw/zinc/32/27/29/264322729.db2.gz ZUWQIEYDXDXMCR-LKFCYVNXSA-N -1 3 281.327 1.937 20 10 CDCDHM CN1C(=O)COCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001272637012 1161169544 /nfs/dbraw/zinc/16/95/44/1161169544.db2.gz JIAUAAWDZMOVOT-UHFFFAOYSA-N -1 3 296.754 1.089 20 10 CDCDHM CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](C)CC ZINC000279361973 521079461 /nfs/dbraw/zinc/07/94/61/521079461.db2.gz SUOVJPCQXYYWPI-SKDRFNHKSA-N -1 3 295.335 1.805 20 10 CDCDHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])C1CC1 ZINC000276408567 523633362 /nfs/dbraw/zinc/63/33/62/523633362.db2.gz FCCOFYAVJXQRDN-LBPRGKRZSA-N -1 3 253.273 1.573 20 10 CDCDHM CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(F)cc1[O-] ZINC000290045367 524009907 /nfs/dbraw/zinc/00/99/07/524009907.db2.gz DTFGUXGWQDZLED-WLTAIBSBSA-N -1 3 255.289 1.596 20 10 CDCDHM CNC(=O)[C@H](C)N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000291959452 524100025 /nfs/dbraw/zinc/10/00/25/524100025.db2.gz RRJAHYDJCUDXTN-SFYZADRCSA-N -1 3 256.733 1.831 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000126192222 524872838 /nfs/dbraw/zinc/87/28/38/524872838.db2.gz RATKMQFSSPCLFE-DTORHVGOSA-N -1 3 251.282 1.347 20 10 CDCDHM CS(=O)(=O)C1(CNCc2cccc(Cl)c2[O-])CC1 ZINC000279871482 525099893 /nfs/dbraw/zinc/09/98/93/525099893.db2.gz TYQJJHUVJGGONP-UHFFFAOYSA-N -1 3 289.784 1.712 20 10 CDCDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000279390598 525696428 /nfs/dbraw/zinc/69/64/28/525696428.db2.gz VUSKIZBCAPQFRC-MGOSUKFUSA-N -1 3 283.349 1.079 20 10 CDCDHM CCOC(=O)CN(CCOC)Cc1ccccc1[O-] ZINC000770508702 575455529 /nfs/dbraw/zinc/45/55/29/575455529.db2.gz FISBHHNNOKMZMJ-UHFFFAOYSA-N -1 3 267.325 1.404 20 10 CDCDHM C[C@@H]1CN(CCCNC(=O)c2cc([O-])cs2)C[C@H](C)O1 ZINC000731867710 575068643 /nfs/dbraw/zinc/06/86/43/575068643.db2.gz QPFHIVFOMXEXCM-PHIMTYICSA-N -1 3 298.408 1.683 20 10 CDCDHM Cc1cc(NC(=O)COC(=O)c2cc([O-])cs2)n(C)n1 ZINC000731909122 575069918 /nfs/dbraw/zinc/06/99/18/575069918.db2.gz ALNURKDKGNVDDD-UHFFFAOYSA-N -1 3 295.320 1.291 20 10 CDCDHM NC(=O)COc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732265897 575084727 /nfs/dbraw/zinc/08/47/27/575084727.db2.gz LFFJTBFMLJKQAX-UHFFFAOYSA-N -1 3 292.316 1.570 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCCC[C@H]1C1OCCO1 ZINC000732281716 575086665 /nfs/dbraw/zinc/08/66/65/575086665.db2.gz AJCBCTUSCOAKKO-JTQLQIEISA-N -1 3 283.349 1.821 20 10 CDCDHM CCC[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1OC ZINC000769516939 575355073 /nfs/dbraw/zinc/35/50/73/575355073.db2.gz VRSQYRVWCRHPBV-GFCCVEGCSA-N -1 3 278.352 1.501 20 10 CDCDHM COC(=O)C[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000770506455 575457609 /nfs/dbraw/zinc/45/76/09/575457609.db2.gz SHCPCBBYQIIELE-LLVKDONJSA-N -1 3 293.319 1.478 20 10 CDCDHM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc([O-])cs1 ZINC000765864013 576061445 /nfs/dbraw/zinc/06/14/45/576061445.db2.gz GBVAHWJVIATHIE-LURJTMIESA-N -1 3 297.254 1.678 20 10 CDCDHM CC(C)[C@H]1CN(C)CCN1C(=O)c1cc([O-])cs1 ZINC000738554720 576088067 /nfs/dbraw/zinc/08/80/67/576088067.db2.gz IRERVCSBCJNJOQ-LLVKDONJSA-N -1 3 268.382 1.866 20 10 CDCDHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc([O-])cs1 ZINC000760141749 576460668 /nfs/dbraw/zinc/46/06/68/576460668.db2.gz XOUGSXGMPZIUIQ-BDAKNGLRSA-N -1 3 255.339 1.999 20 10 CDCDHM C[C@](O)(CNC(=O)c1cc([O-])cs1)C(F)(F)F ZINC000761061493 576539831 /nfs/dbraw/zinc/53/98/31/576539831.db2.gz CZLUYWQUEPSZNI-QMMMGPOBSA-N -1 3 269.244 1.497 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000754474010 576897899 /nfs/dbraw/zinc/89/78/99/576897899.db2.gz XUFRMUHWMNBTMF-UHFFFAOYSA-N -1 3 294.254 1.258 20 10 CDCDHM COCCO[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894529975 618943602 /nfs/dbraw/zinc/94/36/02/618943602.db2.gz BHCYEOKUXHVFGT-GFCCVEGCSA-N -1 3 287.306 1.908 20 10 CDCDHM CON(C)C(=O)CNCc1c([O-])ccc(Cl)c1F ZINC000895042648 619219672 /nfs/dbraw/zinc/21/96/72/619219672.db2.gz IXYAIFXVBQCQEQ-UHFFFAOYSA-N -1 3 276.695 1.294 20 10 CDCDHM COCC[N@H+](CCC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000904269313 626235318 /nfs/dbraw/zinc/23/53/18/626235318.db2.gz AWXWFVXRBDEWCJ-UHFFFAOYSA-N -1 3 271.288 1.454 20 10 CDCDHM COCC[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000904269313 626235321 /nfs/dbraw/zinc/23/53/21/626235321.db2.gz AWXWFVXRBDEWCJ-UHFFFAOYSA-N -1 3 271.288 1.454 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC(=O)CC12CCC2 ZINC000911998586 629712203 /nfs/dbraw/zinc/71/22/03/629712203.db2.gz IWYMJDWJIFXWQU-UHFFFAOYSA-N -1 3 275.304 1.826 20 10 CDCDHM Nc1cccc2c1CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000126684973 1175486490 /nfs/dbraw/zinc/48/64/90/1175486490.db2.gz ZPWWNTLVVFEYES-UHFFFAOYSA-N -1 3 284.315 1.879 20 10 CDCDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CS1 ZINC000397873548 705358411 /nfs/dbraw/zinc/35/84/11/705358411.db2.gz UKEXBTLRYIJHGN-HTQZYQBOSA-N -1 3 253.323 1.722 20 10 CDCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](CO)C1 ZINC000775668947 706156721 /nfs/dbraw/zinc/15/67/21/706156721.db2.gz AWYXBAQKUHUCKP-QMMMGPOBSA-N -1 3 259.708 1.999 20 10 CDCDHM CN1CN(Cc2ccc(Br)cc2[O-])CC1=O ZINC000825476109 709893207 /nfs/dbraw/zinc/89/32/07/709893207.db2.gz YPAXZJKPGYVXTM-UHFFFAOYSA-N -1 3 285.141 1.386 20 10 CDCDHM Cc1cccn2cc(CNC(=O)c3cccc(O)c3[O-])nc12 ZINC000187080120 710269545 /nfs/dbraw/zinc/26/95/45/710269545.db2.gz SWSPSWQTZUDCML-UHFFFAOYSA-N -1 3 297.314 1.984 20 10 CDCDHM COCC(COC)NCc1c([O-])ccc(Cl)c1F ZINC000824921062 710377639 /nfs/dbraw/zinc/37/76/39/710377639.db2.gz DAEZOCQWPNBPQF-UHFFFAOYSA-N -1 3 277.723 1.936 20 10 CDCDHM CO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000713144742 710410741 /nfs/dbraw/zinc/41/07/41/710410741.db2.gz KZQHHHVZBRBCAH-VXGBXAGGSA-N -1 3 277.320 1.785 20 10 CDCDHM COC(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000846059849 710434030 /nfs/dbraw/zinc/43/40/30/710434030.db2.gz LBLIWEINSMWRCQ-ZANVPECISA-N -1 3 299.754 1.808 20 10 CDCDHM COCCN(CCOC)Cc1cc(F)cc(F)c1[O-] ZINC000708415395 710544312 /nfs/dbraw/zinc/54/43/12/710544312.db2.gz XJYNIABBYMKPRB-UHFFFAOYSA-N -1 3 275.295 1.765 20 10 CDCDHM Cc1ccccc1[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000790915445 710773283 /nfs/dbraw/zinc/77/32/83/710773283.db2.gz APCJYEWBLJQEOV-CYBMUJFWSA-N -1 3 287.315 1.870 20 10 CDCDHM CCC1(CNC(=O)c2cccc(O)c2[O-])COC1 ZINC000836990923 711392336 /nfs/dbraw/zinc/39/23/36/711392336.db2.gz FXRQTNXHPMVPKF-UHFFFAOYSA-N -1 3 251.282 1.254 20 10 CDCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](CO)O1 ZINC000787418488 711457683 /nfs/dbraw/zinc/45/76/83/711457683.db2.gz WQRMNMXXDLRWFN-UWVGGRQHSA-N -1 3 271.744 1.627 20 10 CDCDHM CC1(C)CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846245586 711501845 /nfs/dbraw/zinc/50/18/45/711501845.db2.gz XLTUORZCPPUOFE-UHFFFAOYSA-N -1 3 290.323 1.365 20 10 CDCDHM O=C(NCCc1ccc(CO)cc1)c1cccc(O)c1[O-] ZINC000790917226 711642008 /nfs/dbraw/zinc/64/20/08/711642008.db2.gz ZHDLXJGOBGMRDM-UHFFFAOYSA-N -1 3 287.315 1.563 20 10 CDCDHM O=C(NCc1ccccc1O)c1cccc2n[n-]nc21 ZINC000783676739 711683206 /nfs/dbraw/zinc/68/32/06/711683206.db2.gz MQDNJECHMGPUCX-UHFFFAOYSA-N -1 3 268.276 1.594 20 10 CDCDHM O=C(N[C@@H]1CCn2cncc2C1)c1cccc(O)c1[O-] ZINC000857947134 711697113 /nfs/dbraw/zinc/69/71/13/711697113.db2.gz LETRIXSJHMLLTB-SECBINFHSA-N -1 3 273.292 1.039 20 10 CDCDHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000790917018 711785556 /nfs/dbraw/zinc/78/55/56/711785556.db2.gz YDTKAILBLKZMKF-AQUOVQTQSA-N -1 3 279.336 1.887 20 10 CDCDHM Cc1cc(O)c(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1C ZINC001607700317 1164274864 /nfs/dbraw/zinc/27/48/64/1164274864.db2.gz VPSLZVJRULIJHL-TZMCWYRMSA-N -1 3 279.336 1.419 20 10 CDCDHM CCNC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1F ZINC001137841738 936420587 /nfs/dbraw/zinc/42/05/87/936420587.db2.gz SDMKAPMCEXSORV-LBPRGKRZSA-N -1 3 266.316 1.632 20 10 CDCDHM Cc1oncc1S(=O)(=O)[N-][C@@H](C)c1ccccc1O ZINC001187395224 920545385 /nfs/dbraw/zinc/54/53/85/920545385.db2.gz QYXIQRPSBUTAOW-QMMMGPOBSA-N -1 3 282.321 1.728 20 10 CDCDHM COC(=O)CCN(C)Cc1c([O-])cc(F)cc1F ZINC001140584490 936727689 /nfs/dbraw/zinc/72/76/89/936727689.db2.gz TWLGROOZOGBLHF-UHFFFAOYSA-N -1 3 259.252 1.665 20 10 CDCDHM O=S(=O)(Cc1ccccn1)Nc1ccc([O-])c(F)c1 ZINC001197825202 925248415 /nfs/dbraw/zinc/24/84/15/925248415.db2.gz QMMNUFBYIMEVPY-UHFFFAOYSA-N -1 3 282.296 1.868 20 10 CDCDHM CN1C[C@@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])[C@@H]2C1 ZINC001276009006 932232121 /nfs/dbraw/zinc/23/21/21/932232121.db2.gz DMJCNQHSQPOQAK-WCQYABFASA-N -1 3 276.336 1.226 20 10 CDCDHM CN1C[C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])[C@@H]2C1 ZINC001276009006 932232128 /nfs/dbraw/zinc/23/21/28/932232128.db2.gz DMJCNQHSQPOQAK-WCQYABFASA-N -1 3 276.336 1.226 20 10 CDCDHM O=C(N[C@H]1NC(=O)c2ccccc21)c1cccc(O)c1[O-] ZINC001148224534 932672010 /nfs/dbraw/zinc/67/20/10/932672010.db2.gz ONWLPJOQMRZDPY-CYBMUJFWSA-N -1 3 284.271 1.270 20 10 CDCDHM C[C@@]1(F)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1F ZINC001148583241 932750234 /nfs/dbraw/zinc/75/02/34/932750234.db2.gz VCPLBSHYELJKCK-GXFFZTMASA-N -1 3 287.262 1.716 20 10 CDCDHM Cn1cccc1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586359 932752901 /nfs/dbraw/zinc/75/29/01/932752901.db2.gz LMQNAUPRJPGTAY-UHFFFAOYSA-N -1 3 262.265 1.072 20 10 CDCDHM O=C(NC1(CCO)CCCCC1)c1cccc(O)c1[O-] ZINC000687326365 934277813 /nfs/dbraw/zinc/27/78/13/934277813.db2.gz MCASAMNZVXQWHU-UHFFFAOYSA-N -1 3 279.336 1.913 20 10 CDCDHM C[C@]1(O)CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231560364 942925728 /nfs/dbraw/zinc/92/57/28/942925728.db2.gz HYSXCYKLGDBLCU-HNNXBMFYSA-N -1 3 279.336 1.827 20 10 CDCDHM C[C@]1(O)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231560364 942925732 /nfs/dbraw/zinc/92/57/32/942925732.db2.gz HYSXCYKLGDBLCU-HNNXBMFYSA-N -1 3 279.336 1.827 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001231568576 942932217 /nfs/dbraw/zinc/93/22/17/942932217.db2.gz NJCJUZFNFJHZPM-AAEUAGOBSA-N -1 3 289.331 1.891 20 10 CDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001231568576 942932221 /nfs/dbraw/zinc/93/22/21/942932221.db2.gz NJCJUZFNFJHZPM-AAEUAGOBSA-N -1 3 289.331 1.891 20 10 CDCDHM CN1CCC2(CN(Cc3cccc(Cl)c3[O-])C2)C1=O ZINC001231913480 943050212 /nfs/dbraw/zinc/05/02/12/943050212.db2.gz KIDNPYBWQKCFSN-UHFFFAOYSA-N -1 3 280.755 1.710 20 10 CDCDHM COc1cc([O-])c(CN2CCOCC2)cc1Cl ZINC001232264996 943194086 /nfs/dbraw/zinc/19/40/86/943194086.db2.gz MWYRMPCOWJKOKF-UHFFFAOYSA-N -1 3 257.717 1.886 20 10 CDCDHM [O-]c1cc(O)c(CN2C[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001232260944 943192764 /nfs/dbraw/zinc/19/27/64/943192764.db2.gz UAMDVRHPJLHCQX-GZMMTYOYSA-N -1 3 261.680 1.266 20 10 CDCDHM NC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232267568 943196889 /nfs/dbraw/zinc/19/68/89/943196889.db2.gz JQTNVUUPSJRBIV-JTQLQIEISA-N -1 3 284.743 1.591 20 10 CDCDHM C[C@@]1(CO)CN(Cc2c([O-])ccc(F)c2F)CC[C@@H]1O ZINC001233332803 943546886 /nfs/dbraw/zinc/54/68/86/943546886.db2.gz YACCPBARVLAEHE-JSGCOSHPSA-N -1 3 287.306 1.236 20 10 CDCDHM COC(=O)[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332456 943547298 /nfs/dbraw/zinc/54/72/98/943547298.db2.gz LUKIBFUWWCLQID-MRVPVSSYSA-N -1 3 271.263 1.665 20 10 CDCDHM C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CC(=O)N1 ZINC001233452183 943588498 /nfs/dbraw/zinc/58/84/98/943588498.db2.gz NCCZWIHQDGVPQO-MRVPVSSYSA-N -1 3 288.269 1.731 20 10 CDCDHM Cn1cnc(/C=C\C(=O)NCc2c([O-])cccc2F)c1 ZINC001303876398 956126484 /nfs/dbraw/zinc/12/64/84/956126484.db2.gz ZRRGKESUQJJHRF-WAYWQWQTSA-N -1 3 275.283 1.594 20 10 CDCDHM CN(Cc1nnc[nH]1)Cc1cc(F)c(F)cc1[O-] ZINC001308724365 956568979 /nfs/dbraw/zinc/56/89/79/956568979.db2.gz TVMCOVQUXWEVDV-UHFFFAOYSA-N -1 3 254.240 1.421 20 10 CDCDHM Cc1ccc(O)c(CNCc2cc(C(=O)[O-])nn2C)c1 ZINC001594373376 958564011 /nfs/dbraw/zinc/56/40/11/958564011.db2.gz WIJUFSHIERNDGV-UHFFFAOYSA-N -1 3 275.308 1.422 20 10 CDCDHM Cn1cc(C(=O)[N-]c2c3nonc3ccc2Cl)nn1 ZINC001323484245 960761175 /nfs/dbraw/zinc/76/11/75/960761175.db2.gz ULJSIXKWPXICFT-UHFFFAOYSA-N -1 3 278.659 1.257 20 10 CDCDHM O=C([O-])C1CC2(C1)CC[C@H](C[NH2+]Cc1ccccc1[O-])O2 ZINC001605987548 973038505 /nfs/dbraw/zinc/03/85/05/973038505.db2.gz KKUJHWUKWPMMBE-MFOWVQHXSA-N -1 3 291.347 1.894 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC001604871578 974121627 /nfs/dbraw/zinc/12/16/27/974121627.db2.gz XJQGVFPGFCXALJ-CQSZACIVSA-N -1 3 265.309 1.697 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC001604871578 974121631 /nfs/dbraw/zinc/12/16/31/974121631.db2.gz XJQGVFPGFCXALJ-CQSZACIVSA-N -1 3 265.309 1.697 20 10 CDCDHM COCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605080201 1163445592 /nfs/dbraw/zinc/44/55/92/1163445592.db2.gz WSYWFGLONDFYSQ-UWVGGRQHSA-N -1 3 291.355 1.648 20 10 CDCDHM C[C@@H](O)C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126643728 260355215 /nfs/dbraw/zinc/35/52/15/260355215.db2.gz LIXMVTLWSSZPFX-NXEZZACHSA-N -1 3 265.309 1.473 20 10 CDCDHM CN1CCN(C(=O)/C=C\c2cncc([O-])c2)c2cccnc21 ZINC000492517491 366169492 /nfs/dbraw/zinc/16/94/92/366169492.db2.gz FEANYDYXDGAZGY-PLNGDYQASA-N -1 3 296.330 1.678 20 10 CDCDHM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000193147291 358270046 /nfs/dbraw/zinc/27/00/46/358270046.db2.gz NMYXQZXWPOHPKM-CYBMUJFWSA-N -1 3 281.352 1.871 20 10 CDCDHM O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cccc(O)c1[O-] ZINC000366150687 361038167 /nfs/dbraw/zinc/03/81/67/361038167.db2.gz FFEUFDUUNZQUHU-BONVTDFDSA-N -1 3 293.319 1.166 20 10 CDCDHM C[C@@H](N[C@@H](C)C(=O)NCCF)c1ccc(F)cc1[O-] ZINC000282654676 367976745 /nfs/dbraw/zinc/97/67/45/367976745.db2.gz IFXDALHFIBMKPR-BDAKNGLRSA-N -1 3 272.295 1.656 20 10 CDCDHM CCN1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000286555372 368882976 /nfs/dbraw/zinc/88/29/76/368882976.db2.gz ACTIPNHJMUBEJI-JTQLQIEISA-N -1 3 264.325 1.264 20 10 CDCDHM CN(C)C(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000096971012 390915522 /nfs/dbraw/zinc/91/55/22/390915522.db2.gz ARIMWMSSWBEFMN-CQSZACIVSA-N -1 3 292.379 1.461 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCS1 ZINC000126558795 390921105 /nfs/dbraw/zinc/92/11/05/390921105.db2.gz LVCJJAYMMFGYPK-MRVPVSSYSA-N -1 3 253.323 1.675 20 10 CDCDHM CCN(CC)C(=O)CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177664418 391173876 /nfs/dbraw/zinc/17/38/76/391173876.db2.gz NMHSMVXLVMTHFE-UHFFFAOYSA-N -1 3 294.351 1.347 20 10 CDCDHM CC(C)N(CCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000179581205 391213183 /nfs/dbraw/zinc/21/31/83/391213183.db2.gz QIGRJUARXDYCAG-UHFFFAOYSA-N -1 3 271.382 1.647 20 10 CDCDHM COCC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000293813324 392439077 /nfs/dbraw/zinc/43/90/77/392439077.db2.gz ULNADDVJLMIBOW-UHFFFAOYSA-N -1 3 253.298 1.500 20 10 CDCDHM C[C@@H]1CSCCN1C(=O)c1cccc(O)c1[O-] ZINC000126428497 297182506 /nfs/dbraw/zinc/18/25/06/297182506.db2.gz IZRISSNFYDAIJX-MRVPVSSYSA-N -1 3 253.323 1.675 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000126348753 260350950 /nfs/dbraw/zinc/35/09/50/260350950.db2.gz MJTRGACPORYLIW-CMPLNLGQSA-N -1 3 263.293 1.491 20 10 CDCDHM C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126644274 260355267 /nfs/dbraw/zinc/35/52/67/260355267.db2.gz FBUNEXTZTWHNLG-MNOVXSKESA-N -1 3 279.336 1.863 20 10 CDCDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])CCCC[C@H]1O ZINC000185794743 262071647 /nfs/dbraw/zinc/07/16/47/262071647.db2.gz XDYACQMHRYIXNN-IUODEOHRSA-N -1 3 279.336 1.769 20 10 CDCDHM CN(Cc1ccccc1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000272287935 263003283 /nfs/dbraw/zinc/00/32/83/263003283.db2.gz NTHOJQWQJMMZKZ-LLVKDONJSA-N -1 3 269.366 1.259 20 10 CDCDHM CCC[C@@]1(CO)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000290482539 263117149 /nfs/dbraw/zinc/11/71/49/263117149.db2.gz DFJWAWRSNUWHPM-OAHLLOKOSA-N -1 3 279.336 1.723 20 10 CDCDHM Cc1nsc(NCc2ccccc2O)c1-c1nnn[n-]1 ZINC001592493314 1173904820 /nfs/dbraw/zinc/90/48/20/1173904820.db2.gz YTAZCPTUWBUOTE-UHFFFAOYSA-N -1 3 288.336 1.949 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CCC(CO)CC2)c1[O-] ZINC000050131902 518283452 /nfs/dbraw/zinc/28/34/52/518283452.db2.gz PPSLLOQHVKZRFS-UHFFFAOYSA-N -1 3 281.327 1.938 20 10 CDCDHM CN1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276501438 523775397 /nfs/dbraw/zinc/77/53/97/523775397.db2.gz HWTGBBVOMKULTJ-UHFFFAOYSA-N -1 3 268.288 1.061 20 10 CDCDHM O=C(NC[C@@H]1COC2(CCCC2)O1)c1cccc(O)c1[O-] ZINC000280034099 526554566 /nfs/dbraw/zinc/55/45/66/526554566.db2.gz YLYZCFZCPRBLMM-SNVBAGLBSA-N -1 3 293.319 1.513 20 10 CDCDHM CC[C@H](C)NC(=O)CCNC(=O)c1cc([O-])cs1 ZINC000731870837 575067301 /nfs/dbraw/zinc/06/73/01/575067301.db2.gz ZGORTDMLFPGWGY-QMMMGPOBSA-N -1 3 270.354 1.488 20 10 CDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)[C@@H](C)N1CCOCC1 ZINC000732288367 575087067 /nfs/dbraw/zinc/08/70/67/575087067.db2.gz QYVOEBKCQHQGBE-NXEZZACHSA-N -1 3 284.381 1.293 20 10 CDCDHM Cc1cnc(COC(=O)c2cc([O-])cs2)cn1 ZINC000732353491 575088195 /nfs/dbraw/zinc/08/81/95/575088195.db2.gz RFEMRSSCQBOAKV-UHFFFAOYSA-N -1 3 250.279 1.909 20 10 CDCDHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000766249286 576088778 /nfs/dbraw/zinc/08/87/78/576088778.db2.gz IJFIRSCJCONUPE-IUCAKERBSA-N -1 3 268.338 1.098 20 10 CDCDHM CCNC(=O)CN(CC)Cc1ccc(OCC)cc1[O-] ZINC000768193322 576263959 /nfs/dbraw/zinc/26/39/59/576263959.db2.gz KGAYRAZWEWQZFD-UHFFFAOYSA-N -1 3 280.368 1.749 20 10 CDCDHM [O-]c1cc2c(cc1CN1CCOC3(CCC3)C1)[C@@H](O)CO2 ZINC000768464587 576286932 /nfs/dbraw/zinc/28/69/32/576286932.db2.gz CKZPGDNGPXDDQG-AWEZNQCLSA-N -1 3 291.347 1.573 20 10 CDCDHM C[C@H](C[C@H]1CCOC1)NC(=O)c1cc([O-])cs1 ZINC000760141755 576460572 /nfs/dbraw/zinc/46/05/72/576460572.db2.gz XOUGSXGMPZIUIQ-RKDXNWHRSA-N -1 3 255.339 1.999 20 10 CDCDHM Cc1nc2n(n1)CCN(C(=O)c1cc([O-])cs1)C2 ZINC000748420580 576911913 /nfs/dbraw/zinc/91/19/13/576911913.db2.gz XJBWZUHGWAFRLG-UHFFFAOYSA-N -1 3 264.310 1.010 20 10 CDCDHM CCS(=O)(=O)CCN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756532510 576993965 /nfs/dbraw/zinc/99/39/65/576993965.db2.gz COVLZOKVZCCSGC-MRVPVSSYSA-N -1 3 293.335 1.756 20 10 CDCDHM Cn1ccnc1[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000756809831 577005932 /nfs/dbraw/zinc/00/59/32/577005932.db2.gz RVQYJXLJIJSZRP-SECBINFHSA-N -1 3 277.349 1.817 20 10 CDCDHM Cc1ccc(C(=O)NCc2cn3ccccc3n2)c([O-])c1O ZINC000751537683 577049424 /nfs/dbraw/zinc/04/94/24/577049424.db2.gz GZPWUPZCBXCREJ-UHFFFAOYSA-N -1 3 297.314 1.984 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000759099216 577152252 /nfs/dbraw/zinc/15/22/52/577152252.db2.gz KHTJHBLDOGKBOC-VHSXEESVSA-N -1 3 280.349 1.337 20 10 CDCDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccccc2O)n1 ZINC000826277075 608376555 /nfs/dbraw/zinc/37/65/55/608376555.db2.gz INSSIJKMIPSWHZ-UHFFFAOYSA-N -1 3 282.307 1.888 20 10 CDCDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccccc2O)n1 ZINC000826277075 608376557 /nfs/dbraw/zinc/37/65/57/608376557.db2.gz INSSIJKMIPSWHZ-UHFFFAOYSA-N -1 3 282.307 1.888 20 10 CDCDHM C[C@@]1(CO)C[C@H](O)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000895326472 619564564 /nfs/dbraw/zinc/56/45/64/619564564.db2.gz YCMHYRHZKKQUQL-ZANVPECISA-N -1 3 289.734 1.502 20 10 CDCDHM C[C@H](NCc1nnn(C)n1)c1cc(Cl)ccc1[O-] ZINC000787042643 621316538 /nfs/dbraw/zinc/31/65/38/621316538.db2.gz PACHTZQQDRHKNW-ZETCQYMHSA-N -1 3 267.720 1.420 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2CC=CCN2)c1[O-] ZINC000903487509 626009942 /nfs/dbraw/zinc/00/99/42/626009942.db2.gz DSROYKBFRJWJHF-UHFFFAOYSA-N -1 3 250.273 1.610 20 10 CDCDHM C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326887 1163152112 /nfs/dbraw/zinc/15/21/12/1163152112.db2.gz UMGCTJSCLGGMHL-RNCFNFMXSA-N -1 3 279.336 1.902 20 10 CDCDHM CCOC(=O)C[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000790911194 1162176842 /nfs/dbraw/zinc/17/68/42/1162176842.db2.gz ORWPKCFWKOZVPO-VIFPVBQESA-N -1 3 281.308 1.417 20 10 CDCDHM Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC001607667620 1164262885 /nfs/dbraw/zinc/26/28/85/1164262885.db2.gz MJQILMCFFDMZCN-KBPBESRZSA-N -1 3 278.352 1.081 20 10 CDCDHM CO[C@@H](C)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591467722 1173655995 /nfs/dbraw/zinc/65/59/95/1173655995.db2.gz VVPOUVHJXLLDCS-IUCAKERBSA-N -1 3 277.328 1.258 20 10 CDCDHM CC[C@@H]([NH2+]CCF)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054957 1175736011 /nfs/dbraw/zinc/73/60/11/1175736011.db2.gz JWGXJAZJVPLGGA-SNVBAGLBSA-N -1 3 265.292 1.583 20 10 CDCDHM COC(=O)[C@@H]1COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824790604 711971068 /nfs/dbraw/zinc/97/10/68/711971068.db2.gz ZQITYFZSNMRLKX-LBPRGKRZSA-N -1 3 299.754 1.728 20 10 CDCDHM Cc1nnc(CN(C)C(=O)c2cccc(O)c2[O-])s1 ZINC000704486402 712051843 /nfs/dbraw/zinc/05/18/43/712051843.db2.gz QHGFWIJACWMDCV-UHFFFAOYSA-N -1 3 279.321 1.530 20 10 CDCDHM O=C(Nc1ccc2[nH]nnc2c1)c1c(F)ccc(O)c1[O-] ZINC000790071287 712085167 /nfs/dbraw/zinc/08/51/67/712085167.db2.gz UMXNFGCTYLZZMA-UHFFFAOYSA-N -1 3 288.238 1.761 20 10 CDCDHM CC(=O)NC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839101269 712399077 /nfs/dbraw/zinc/39/90/77/712399077.db2.gz HRDLJVGVFDPMQM-UHFFFAOYSA-N -1 3 254.717 1.366 20 10 CDCDHM NC(=O)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000186893131 712503641 /nfs/dbraw/zinc/50/36/41/712503641.db2.gz GEYCNIVFOHOONJ-UHFFFAOYSA-N -1 3 286.287 1.127 20 10 CDCDHM CCOC(=O)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000791116869 712730732 /nfs/dbraw/zinc/73/07/32/712730732.db2.gz DPWFMDDRRCPBMW-QMMMGPOBSA-N -1 3 267.281 1.169 20 10 CDCDHM Cc1ccc([C@@H](C)[NH2+]CCn2cc(C(=O)[O-])nn2)c([O-])c1 ZINC001610490818 1165328230 /nfs/dbraw/zinc/32/82/30/1165328230.db2.gz MYEMOZGGIUASAX-SNVBAGLBSA-N -1 3 290.323 1.341 20 10 CDCDHM O=C(NCc1cccc(CO)c1)c1cccc(O)c1[O-] ZINC000126621021 1166068929 /nfs/dbraw/zinc/06/89/29/1166068929.db2.gz HONPHGBUYPIENA-UHFFFAOYSA-N -1 3 273.288 1.520 20 10 CDCDHM O=C([O-])[C@@H]1CSCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001601856164 1167806959 /nfs/dbraw/zinc/80/69/59/1167806959.db2.gz IFHOTLSUOAMYCE-JTQLQIEISA-N -1 3 285.340 1.781 20 10 CDCDHM O=C([O-])[C@@H]1CSCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001601856164 1167806967 /nfs/dbraw/zinc/80/69/67/1167806967.db2.gz IFHOTLSUOAMYCE-JTQLQIEISA-N -1 3 285.340 1.781 20 10 CDCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CCN(C)C1=O ZINC000708398528 897541702 /nfs/dbraw/zinc/54/17/02/897541702.db2.gz GFWGXZXUHGWAPQ-LLVKDONJSA-N -1 3 270.279 1.333 20 10 CDCDHM O=C1COC2(C1)CCN(Cc1c([O-])cccc1F)CC2 ZINC001137833018 936417776 /nfs/dbraw/zinc/41/77/76/936417776.db2.gz PVSJZAGTLJORIU-UHFFFAOYSA-N -1 3 279.311 1.855 20 10 CDCDHM CC(=O)N1CCN(Cc2cccc(F)c2[O-])C[C@@H]1C ZINC001138129671 936475666 /nfs/dbraw/zinc/47/56/66/936475666.db2.gz QFYHKRLKDVUASR-JTQLQIEISA-N -1 3 266.316 1.584 20 10 CDCDHM NC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(Cl)ccc1[O-] ZINC001203657099 920443024 /nfs/dbraw/zinc/44/30/24/920443024.db2.gz DQMTZNZKQASFOR-UWVGGRQHSA-N -1 3 272.707 1.443 20 10 CDCDHM N#CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140102362 936678890 /nfs/dbraw/zinc/67/88/90/936678890.db2.gz NUKPQVMEIPBICT-UHFFFAOYSA-N -1 3 296.168 1.753 20 10 CDCDHM CC[C@@H](O)CCCNC(=O)c1cccc(O)c1[O-] ZINC000398514153 936711476 /nfs/dbraw/zinc/71/14/76/936711476.db2.gz SHNIXUXNMFNJFG-SECBINFHSA-N -1 3 253.298 1.379 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@H](F)[C@@H](O)CC1 ZINC001140582981 936727171 /nfs/dbraw/zinc/72/71/71/936727171.db2.gz RQUMPGIDFWNAEL-PWSUYJOCSA-N -1 3 275.270 1.965 20 10 CDCDHM [O-]c1cc(F)cc(F)c1CN1CCN2CC[C@H]2C1 ZINC001140585327 936728259 /nfs/dbraw/zinc/72/82/59/936728259.db2.gz FOXKHWQADWMBPD-JTQLQIEISA-N -1 3 254.280 1.560 20 10 CDCDHM Cc1ccc([C@@H](O)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000186929024 922067516 /nfs/dbraw/zinc/06/75/16/922067516.db2.gz APXFAGVLJAITLD-AWEZNQCLSA-N -1 3 287.315 1.870 20 10 CDCDHM CC[C@@H]1OCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000838297988 936872861 /nfs/dbraw/zinc/87/28/61/936872861.db2.gz FTSKUXMFHLTLOT-KOLCDFICSA-N -1 3 251.282 1.395 20 10 CDCDHM O=S(=O)([N-]Cc1ccccc1O)c1ccc(Cl)cn1 ZINC001196255483 924851195 /nfs/dbraw/zinc/85/11/95/924851195.db2.gz UGAWXPDZVSOGDY-UHFFFAOYSA-N -1 3 298.751 1.919 20 10 CDCDHM C[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1Br ZINC000862235837 929391121 /nfs/dbraw/zinc/39/11/21/929391121.db2.gz CZCUSGALKWZRDS-MRVPVSSYSA-N -1 3 299.168 1.475 20 10 CDCDHM CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000886727042 930946890 /nfs/dbraw/zinc/94/68/90/930946890.db2.gz ZIBLSTGAKRPPFF-LBPRGKRZSA-N -1 3 292.335 1.132 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOc2ncccc2C1 ZINC001153740442 937465122 /nfs/dbraw/zinc/46/51/22/937465122.db2.gz MBVHQACZKDGPOV-UHFFFAOYSA-N -1 3 286.287 1.528 20 10 CDCDHM C[C@]1(NC(=O)c2cccc(O)c2[O-])CCO[C@@H]1C1CC1 ZINC001154079682 937501275 /nfs/dbraw/zinc/50/12/75/937501275.db2.gz SHJACGBXMUALEA-HIFRSBDPSA-N -1 3 277.320 1.785 20 10 CDCDHM CC[C@@H](C)C[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000844032637 931529781 /nfs/dbraw/zinc/52/97/81/931529781.db2.gz GKPXRDSBCBHGSF-ZJUUUORDSA-N -1 3 267.325 1.625 20 10 CDCDHM O=C(Nc1ccnn1Br)c1cccc(O)c1[O-] ZINC001148211969 932667125 /nfs/dbraw/zinc/66/71/25/932667125.db2.gz FQHAWUQDTHWANR-UHFFFAOYSA-N -1 3 298.096 1.705 20 10 CDCDHM COC(=O)[C@H](CCSC)NC(=O)c1cccc(O)c1[O-] ZINC001148220096 932672191 /nfs/dbraw/zinc/67/21/91/932672191.db2.gz QCGGDHRHQYURKJ-VIFPVBQESA-N -1 3 299.348 1.122 20 10 CDCDHM O=C(NCc1cnc(Cl)cn1)c1cccc(O)c1[O-] ZINC001148225517 932674253 /nfs/dbraw/zinc/67/42/53/932674253.db2.gz NDGBQJDWZISJHS-UHFFFAOYSA-N -1 3 279.683 1.471 20 10 CDCDHM Cc1nc(Cl)ncc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582146 932750279 /nfs/dbraw/zinc/75/02/79/932750279.db2.gz YQFVISKXHBSQBN-UHFFFAOYSA-N -1 3 295.682 1.808 20 10 CDCDHM COCCN(C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001148583881 932751251 /nfs/dbraw/zinc/75/12/51/932751251.db2.gz FKRWAMBMBDICQZ-UHFFFAOYSA-N -1 3 269.297 1.300 20 10 CDCDHM O=C(/C=C\c1ccc(O)c(O)c1)[N-]OCC(F)(F)F ZINC000779534434 934600233 /nfs/dbraw/zinc/60/02/33/934600233.db2.gz QKWANKBIUJGWLI-RQOWECAXSA-N -1 3 277.198 1.721 20 10 CDCDHM CCOC(=O)c1ncc(NC(=O)Cc2ccc(N)cc2)[n-]1 ZINC001218764503 941267864 /nfs/dbraw/zinc/26/78/64/941267864.db2.gz MALZZTOPIOGGGY-UHFFFAOYSA-N -1 3 288.307 1.350 20 10 CDCDHM CCOC(=O)c1nc(NC(=O)Cc2ccc(N)cc2)c[n-]1 ZINC001218764503 941267867 /nfs/dbraw/zinc/26/78/67/941267867.db2.gz MALZZTOPIOGGGY-UHFFFAOYSA-N -1 3 288.307 1.350 20 10 CDCDHM O=C([O-])c1ccc(C[NH+]2CC3(C2)CCOCC3)c([O-])c1 ZINC001231451531 942897060 /nfs/dbraw/zinc/89/70/60/942897060.db2.gz NOSGFFXPPSBRGT-UHFFFAOYSA-N -1 3 277.320 1.703 20 10 CDCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1 ZINC001231455947 942899684 /nfs/dbraw/zinc/89/96/84/942899684.db2.gz YUHXGRKKPJZBFT-OCCSQVGLSA-N -1 3 277.320 1.701 20 10 CDCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1 ZINC001231455947 942899686 /nfs/dbraw/zinc/89/96/86/942899686.db2.gz YUHXGRKKPJZBFT-OCCSQVGLSA-N -1 3 277.320 1.701 20 10 CDCDHM C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@]1(C)O ZINC001231560380 942925265 /nfs/dbraw/zinc/92/52/65/942925265.db2.gz IGCBURGKCZIRSD-MEBBXXQBSA-N -1 3 279.336 1.683 20 10 CDCDHM C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC[C@@]1(C)O ZINC001231560380 942925267 /nfs/dbraw/zinc/92/52/67/942925267.db2.gz IGCBURGKCZIRSD-MEBBXXQBSA-N -1 3 279.336 1.683 20 10 CDCDHM [O-]c1cc(O)c(CN2C[C@H]3C[C@@H](C2)O3)cc1Cl ZINC001232262396 943195255 /nfs/dbraw/zinc/19/52/55/943195255.db2.gz FXNFKVQFFPVEOA-DTORHVGOSA-N -1 3 255.701 1.724 20 10 CDCDHM COc1ccc(CN2CCN(C)CC2)c([O-])c1Cl ZINC001236806368 944573959 /nfs/dbraw/zinc/57/39/59/944573959.db2.gz VQALDHATCIWWDY-UHFFFAOYSA-N -1 3 270.760 1.802 20 10 CDCDHM CC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC001337049176 960888499 /nfs/dbraw/zinc/88/84/99/960888499.db2.gz AMXCJESENKKCDT-UHFFFAOYSA-N -1 3 284.337 1.046 20 10 CDCDHM CCOC(=O)CCN(C(=O)c1cccc(O)c1[O-])C(C)C ZINC000848350014 969027169 /nfs/dbraw/zinc/02/71/69/969027169.db2.gz NFJBZLYJODLING-UHFFFAOYSA-N -1 3 295.335 1.902 20 10 CDCDHM C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246816 994458853 /nfs/dbraw/zinc/45/88/53/994458853.db2.gz CRXAFZKHPHUGRL-BJOHPYRUSA-N -1 3 292.335 1.410 20 10 CDCDHM C[C@H]([NH2+]CC1(CCO)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248748 994473755 /nfs/dbraw/zinc/47/37/55/994473755.db2.gz LQFDXNDZOOQZGI-JTQLQIEISA-N -1 3 279.336 1.904 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001599680125 994965954 /nfs/dbraw/zinc/96/59/54/994965954.db2.gz AYLKZJBEMRVTPJ-NXEZZACHSA-N -1 3 265.309 1.553 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001599680125 994965962 /nfs/dbraw/zinc/96/59/62/994965962.db2.gz AYLKZJBEMRVTPJ-NXEZZACHSA-N -1 3 265.309 1.553 20 10 CDCDHM O=C(/C=C\c1cncc([O-])c1)N1CCc2ccncc21 ZINC000492975587 366187409 /nfs/dbraw/zinc/18/74/09/366187409.db2.gz VILBJSICZSZFKS-UPHRSURJSA-N -1 3 267.288 1.785 20 10 CDCDHM COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(F)ccc1[O-] ZINC000188787863 357937274 /nfs/dbraw/zinc/93/72/74/357937274.db2.gz YPGUNYQQPGBQBA-CHWSQXEVSA-N -1 3 283.299 1.030 20 10 CDCDHM CCCOc1ccc(CN2CCO[C@H](CO)C2)c([O-])c1 ZINC000271193047 364970225 /nfs/dbraw/zinc/97/02/25/364970225.db2.gz QMEJNKVGJIWAJR-AWEZNQCLSA-N -1 3 281.352 1.374 20 10 CDCDHM Cc1cc(Cl)cc(CN2CCn3cnnc3C2)c1[O-] ZINC000271748896 364995790 /nfs/dbraw/zinc/99/57/90/364995790.db2.gz UMYURRKXMHMUKN-UHFFFAOYSA-N -1 3 278.743 1.961 20 10 CDCDHM O=C(NCC[C@@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000193157986 367409110 /nfs/dbraw/zinc/40/91/10/367409110.db2.gz YEWBPSCWARKJCB-JTQLQIEISA-N -1 3 265.309 1.787 20 10 CDCDHM Cc1ccc(C(=O)NCC[C@H](C)CCO)c([O-])c1O ZINC000295905276 378701684 /nfs/dbraw/zinc/70/16/84/378701684.db2.gz IDYBFEYFCFUPMP-VIFPVBQESA-N -1 3 267.325 1.545 20 10 CDCDHM [O-]c1ccccc1CN(CC1OCCO1)C[C@@H]1CCCO1 ZINC000182650990 391238414 /nfs/dbraw/zinc/23/84/14/391238414.db2.gz MDNKJYHSIXNSIB-AWEZNQCLSA-N -1 3 293.363 1.746 20 10 CDCDHM Cc1ccc(C(=O)NCc2nncn2C(C)C)c([O-])c1O ZINC000179482170 391207725 /nfs/dbraw/zinc/20/77/25/391207725.db2.gz KESROCMDUTWBBB-UHFFFAOYSA-N -1 3 290.323 1.509 20 10 CDCDHM COc1c([O-])c(CN(C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000291063861 391632592 /nfs/dbraw/zinc/63/25/92/391632592.db2.gz KILQZGAMMVDRHQ-MRVPVSSYSA-N -1 3 270.285 1.122 20 10 CDCDHM CC[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000184688341 262026294 /nfs/dbraw/zinc/02/62/94/262026294.db2.gz PXUDJYHNEDQOIJ-NSHDSACASA-N -1 3 298.770 1.765 20 10 CDCDHM Cc1ccc(C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c([O-])c1O ZINC000368084683 267145401 /nfs/dbraw/zinc/14/54/01/267145401.db2.gz HMFNBTGAPHZEDT-NEPJUHHUSA-N -1 3 291.347 1.905 20 10 CDCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)C[C@H]2CO)c1[O-] ZINC000186522430 329344927 /nfs/dbraw/zinc/34/49/27/329344927.db2.gz IIFKKOIMKRCMHG-RYUDHWBXSA-N -1 3 299.754 1.176 20 10 CDCDHM COc1cc(Cl)cc(CN(C)[C@@H]2COC[C@H]2O)c1[O-] ZINC000289904436 522538715 /nfs/dbraw/zinc/53/87/15/522538715.db2.gz WXILSUXGKKRPIU-GHMZBOCLSA-N -1 3 287.743 1.246 20 10 CDCDHM O=C(Nc1ccn(CC(F)F)n1)c1cccc(O)c1[O-] ZINC000790861755 1162175768 /nfs/dbraw/zinc/17/57/68/1162175768.db2.gz PPYVDFVMXKXHSD-UHFFFAOYSA-N -1 3 283.234 1.812 20 10 CDCDHM CC[C@H](C[C@@H](C)CO)NC(=O)c1cccc(O)c1[O-] ZINC000790911652 1162176402 /nfs/dbraw/zinc/17/64/02/1162176402.db2.gz TUNKHNYHXJUCET-NXEZZACHSA-N -1 3 267.325 1.625 20 10 CDCDHM COC(=O)[C@H](C)CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079435400 523863603 /nfs/dbraw/zinc/86/36/03/523863603.db2.gz FRDUIYJTAOJREI-SECBINFHSA-N -1 3 297.326 1.975 20 10 CDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000280241840 524987065 /nfs/dbraw/zinc/98/70/65/524987065.db2.gz KOHNFGLNHMOOSU-ABAIWWIYSA-N -1 3 281.327 1.911 20 10 CDCDHM C[C@H](NCCS(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000062747680 525360866 /nfs/dbraw/zinc/36/08/66/525360866.db2.gz GNPHAHCZGATSET-QMMMGPOBSA-N -1 3 261.318 1.227 20 10 CDCDHM O=C(N[C@@H]1CCC[C@H]1CCO)c1cccc(O)c1[O-] ZINC000280422232 526908893 /nfs/dbraw/zinc/90/88/93/526908893.db2.gz ITFAAFQHQRBXIZ-GXSJLCMTSA-N -1 3 265.309 1.379 20 10 CDCDHM C[C@@H]1C[C@H](C)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000737745667 574435947 /nfs/dbraw/zinc/43/59/47/574435947.db2.gz WYRWYGDKWJZCRJ-BDAKNGLRSA-N -1 3 290.323 1.363 20 10 CDCDHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000731871228 575067311 /nfs/dbraw/zinc/06/73/11/575067311.db2.gz HEUKJROZJIGEQT-HTQZYQBOSA-N -1 3 270.354 1.487 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC(N2CCNC2=O)CC1 ZINC000732273992 575085680 /nfs/dbraw/zinc/08/56/80/575085680.db2.gz NBLLFHSMGXTMOV-UHFFFAOYSA-N -1 3 295.364 1.084 20 10 CDCDHM CN(Cc1cscn1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442852 576283654 /nfs/dbraw/zinc/28/36/54/576283654.db2.gz OLYRYEIZIHDGBX-CYBMUJFWSA-N -1 3 292.360 1.907 20 10 CDCDHM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc([O-])cs1 ZINC000755329580 576940334 /nfs/dbraw/zinc/94/03/34/576940334.db2.gz VOECQLRRGIPSKY-WCBMZHEXSA-N -1 3 255.339 1.687 20 10 CDCDHM C[C@H](NCc1ccc(C(N)=O)nc1)c1ccc(F)cc1[O-] ZINC000756639769 576998208 /nfs/dbraw/zinc/99/82/08/576998208.db2.gz CXVJOCMNTIEPJB-VIFPVBQESA-N -1 3 289.310 1.876 20 10 CDCDHM CC(=O)c1cc(F)cc(CN2C[C@H](CO)OC[C@H]2C)c1[O-] ZINC000129270600 617560520 /nfs/dbraw/zinc/56/05/20/617560520.db2.gz ZIQSRVGNASVLMZ-NOZJJQNGSA-N -1 3 297.326 1.316 20 10 CDCDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])C[C@H]1O ZINC000894597082 618987033 /nfs/dbraw/zinc/98/70/33/618987033.db2.gz URKOWIAIBOXOMF-LLVKDONJSA-N -1 3 257.280 1.873 20 10 CDCDHM Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000910068761 628858629 /nfs/dbraw/zinc/85/86/29/628858629.db2.gz JHOUEGNREJGEEW-ZETCQYMHSA-N -1 3 275.308 1.929 20 10 CDCDHM Cc1ccc(C(=O)N2CCO[C@@H]2C(F)(F)F)c([O-])c1O ZINC000912088571 629767279 /nfs/dbraw/zinc/76/72/79/629767279.db2.gz QGGJRUSROJFUEF-LLVKDONJSA-N -1 3 291.225 1.767 20 10 CDCDHM C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339335 1163157822 /nfs/dbraw/zinc/15/78/22/1163157822.db2.gz XIHYBTBTSXPLTF-UWVGGRQHSA-N -1 3 265.309 1.778 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1CC[C@](OC)(C(=O)[O-])C1 ZINC001607326850 1164142675 /nfs/dbraw/zinc/14/26/75/1164142675.db2.gz UHDFXZFVBXXEGV-CQSZACIVSA-N -1 3 281.308 1.076 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1CC[C@](OC)(C(=O)[O-])C1 ZINC001607326850 1164142678 /nfs/dbraw/zinc/14/26/78/1164142678.db2.gz UHDFXZFVBXXEGV-CQSZACIVSA-N -1 3 281.308 1.076 20 10 CDCDHM CC(=O)N1CCN(Cc2c([O-])cccc2F)C[C@H]1C ZINC001137840322 1167031186 /nfs/dbraw/zinc/03/11/86/1167031186.db2.gz XIJPZDDTROXFJK-SNVBAGLBSA-N -1 3 266.316 1.584 20 10 CDCDHM Cc1ccc(O)c(CN2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC001600465242 1174484251 /nfs/dbraw/zinc/48/42/51/1174484251.db2.gz UPAPLIINFHFYJN-ZDUSSCGKSA-N -1 3 253.273 1.699 20 10 CDCDHM Cc1nnc(CN[C@@H](C)c2ccc(F)cc2[O-])n1C ZINC000393157185 1187285316 /nfs/dbraw/zinc/28/53/16/1187285316.db2.gz RQUDNSBAOAPALL-QMMMGPOBSA-N -1 3 264.304 1.819 20 10 CDCDHM COc1ccc(C[NH2+]Cc2c[nH]c(C(=O)[O-])c2)c([O-])c1 ZINC001607259901 1164137948 /nfs/dbraw/zinc/13/79/48/1164137948.db2.gz DHUSLCSKPOKBIH-UHFFFAOYSA-N -1 3 276.292 1.717 20 10 CDCDHM Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001175048398 913442027 /nfs/dbraw/zinc/44/20/27/913442027.db2.gz VWDDYJZDCZKFSZ-UHFFFAOYSA-N -1 3 282.296 1.914 20 10 CDCDHM CN1CCN(Cc2cc(Cl)ccc2[O-])CCC1=O ZINC000827358655 936589059 /nfs/dbraw/zinc/58/90/59/936589059.db2.gz DDDYRNOHHSQGDV-UHFFFAOYSA-N -1 3 268.744 1.710 20 10 CDCDHM [O-]c1cc(Cl)ccc1CN1CCN([C@H]2CCOC2)CC1 ZINC001140461188 936712078 /nfs/dbraw/zinc/71/20/78/936712078.db2.gz GOZOAAYDFKCCOD-AWEZNQCLSA-N -1 3 296.798 1.952 20 10 CDCDHM C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)cc1[O-] ZINC001140467253 936713048 /nfs/dbraw/zinc/71/30/48/936713048.db2.gz RZRAZFHQSVLBHV-MRVPVSSYSA-N -1 3 254.717 1.366 20 10 CDCDHM CN(C)c1ccc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000776329550 926665964 /nfs/dbraw/zinc/66/59/64/926665964.db2.gz BAAYBBHHNWQLHM-UHFFFAOYSA-N -1 3 287.319 1.489 20 10 CDCDHM O=C(N[C@H]1Cc2ccccc2NC1=O)c1cccc(O)c1[O-] ZINC001151147648 937271905 /nfs/dbraw/zinc/27/19/05/937271905.db2.gz KUQBGQNXLWNABL-LBPRGKRZSA-N -1 3 298.298 1.391 20 10 CDCDHM CSc1nnc(CNC(=O)c2cccc(O)c2[O-])s1 ZINC000783877334 937285431 /nfs/dbraw/zinc/28/54/31/937285431.db2.gz WMOZPUDAVDBIRP-UHFFFAOYSA-N -1 3 297.361 1.601 20 10 CDCDHM CC(=O)N[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817415404 930528914 /nfs/dbraw/zinc/52/89/14/930528914.db2.gz SELLJZVLICLBHD-SNVBAGLBSA-N -1 3 286.734 1.895 20 10 CDCDHM CCN=c1ccc(N)cn1C(=O)c1cccc(O)c1[O-] ZINC001148212008 932667984 /nfs/dbraw/zinc/66/79/84/932667984.db2.gz HTFITIYFOVKJCR-UHFFFAOYSA-N -1 3 273.292 1.091 20 10 CDCDHM O=C(Nc1ccn2cnnc2c1)c1cccc(O)c1[O-] ZINC001148211988 932668897 /nfs/dbraw/zinc/66/88/97/932668897.db2.gz GRYCPQNMIYPYDS-UHFFFAOYSA-N -1 3 270.248 1.393 20 10 CDCDHM Cc1cc(C[C@@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)on1 ZINC001148582188 932751366 /nfs/dbraw/zinc/75/13/66/932751366.db2.gz ZOJOKCKBGSBSGP-SSDOTTSWSA-N -1 3 292.291 1.461 20 10 CDCDHM CS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000800533687 935909828 /nfs/dbraw/zinc/90/98/28/935909828.db2.gz CTOSZGVCPLRXMF-LLVKDONJSA-N -1 3 289.784 1.665 20 10 CDCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCCOC1 ZINC000401325732 937874656 /nfs/dbraw/zinc/87/46/56/937874656.db2.gz AMWGGWFAEHLVBD-VIFPVBQESA-N -1 3 251.282 1.349 20 10 CDCDHM CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452495 942896768 /nfs/dbraw/zinc/89/67/68/942896768.db2.gz PZFVDAOGYCLVRU-GFCCVEGCSA-N -1 3 293.319 1.475 20 10 CDCDHM CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452495 942896769 /nfs/dbraw/zinc/89/67/69/942896769.db2.gz PZFVDAOGYCLVRU-GFCCVEGCSA-N -1 3 293.319 1.475 20 10 CDCDHM C[C@@]1(O)CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231560365 942925435 /nfs/dbraw/zinc/92/54/35/942925435.db2.gz HYSXCYKLGDBLCU-OAHLLOKOSA-N -1 3 279.336 1.827 20 10 CDCDHM C[C@@]1(O)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231560365 942925438 /nfs/dbraw/zinc/92/54/38/942925438.db2.gz HYSXCYKLGDBLCU-OAHLLOKOSA-N -1 3 279.336 1.827 20 10 CDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](F)[C@@H](O)C1 ZINC001233331987 943546143 /nfs/dbraw/zinc/54/61/43/943546143.db2.gz SMBJMBOQJSXNKX-KWQFWETISA-N -1 3 261.243 1.575 20 10 CDCDHM O=C1CCN(Cc2c([O-])ccc(F)c2F)C[C@@H]2CCCN12 ZINC001233336310 943547748 /nfs/dbraw/zinc/54/77/48/943547748.db2.gz HLTCFXFLNPQRMY-JTQLQIEISA-N -1 3 296.317 1.867 20 10 CDCDHM CC1(C)OC[C@H](/C=C/C(=O)NCc2c([O-])cccc2F)O1 ZINC001303876327 945823932 /nfs/dbraw/zinc/82/39/32/945823932.db2.gz YOQQAVIRVULHCF-FGEFZZPRSA-N -1 3 295.310 1.855 20 10 CDCDHM O=C(CNC[C@@H](O)c1ccccc1)c1ccc([O-])c(O)c1 ZINC001252013769 951049569 /nfs/dbraw/zinc/04/95/69/951049569.db2.gz YXDYCASSEMUQCE-OAHLLOKOSA-N -1 3 287.315 1.604 20 10 CDCDHM C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000235638478 960470976 /nfs/dbraw/zinc/47/09/76/960470976.db2.gz LHXRMUYDOFDPCQ-GZMMTYOYSA-N -1 3 253.273 1.826 20 10 CDCDHM C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000235638478 960470984 /nfs/dbraw/zinc/47/09/84/960470984.db2.gz LHXRMUYDOFDPCQ-GZMMTYOYSA-N -1 3 253.273 1.826 20 10 CDCDHM COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])[C@@H](C)O ZINC001350337365 966637724 /nfs/dbraw/zinc/63/77/24/966637724.db2.gz AYYOWTYSTTZOEV-PELKAZGASA-N -1 3 287.743 1.366 20 10 CDCDHM CC(C)CNC(=O)CN[C@@H](C)c1c([O-])cccc1F ZINC001353352654 967918771 /nfs/dbraw/zinc/91/87/71/967918771.db2.gz ARWAALNWTHPOBK-JTQLQIEISA-N -1 3 268.332 1.954 20 10 CDCDHM C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257893 994538249 /nfs/dbraw/zinc/53/82/49/994538249.db2.gz VERBYJHCMCAQRX-GXSJLCMTSA-N -1 3 281.308 1.156 20 10 CDCDHM CS[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000294197246 361789176 /nfs/dbraw/zinc/78/91/76/361789176.db2.gz GTTPWNKETFHAAH-QMMMGPOBSA-N -1 3 253.323 1.675 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1C1CC1 ZINC000187211819 357742878 /nfs/dbraw/zinc/74/28/78/357742878.db2.gz AIHKYLUOSZKWDP-LLVKDONJSA-N -1 3 263.293 1.349 20 10 CDCDHM CCCNC(=O)CN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191186165 283371157 /nfs/dbraw/zinc/37/11/57/283371157.db2.gz DOWKDIXBSBBSAN-QMMMGPOBSA-N -1 3 272.295 1.847 20 10 CDCDHM CC1(CNCc2c([O-])cccc2Cl)OCCO1 ZINC000271086329 364915522 /nfs/dbraw/zinc/91/55/22/364915522.db2.gz ZKSLRSPZSJXSAB-UHFFFAOYSA-N -1 3 257.717 1.898 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CCCCO2)c([O-])c1O ZINC000271265756 364979128 /nfs/dbraw/zinc/97/91/28/364979128.db2.gz KNYBJGNWRAPDQF-SNVBAGLBSA-N -1 3 265.309 1.705 20 10 CDCDHM Cc1ccc(C(=O)NC[C@H]2CCO[C@H](C)C2)c([O-])c1O ZINC000272982286 365462550 /nfs/dbraw/zinc/46/25/50/365462550.db2.gz MBZABLULVOOWGP-MNOVXSKESA-N -1 3 279.336 1.951 20 10 CDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCC2(C)OCCO2)c1 ZINC000273548808 365506853 /nfs/dbraw/zinc/50/68/53/365506853.db2.gz ZXOVUZCXYZDHHP-JTQLQIEISA-N -1 3 295.335 1.592 20 10 CDCDHM CO[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000294771664 371089362 /nfs/dbraw/zinc/08/93/62/371089362.db2.gz ZUDMLNPYHSGXND-LLVKDONJSA-N -1 3 265.309 1.561 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ncc[nH]1 ZINC000365695501 391125951 /nfs/dbraw/zinc/12/59/51/391125951.db2.gz OSNXVWZTPPJPPS-JTQLQIEISA-N -1 3 273.292 1.798 20 10 CDCDHM CC(C)NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191187766 391325374 /nfs/dbraw/zinc/32/53/74/391325374.db2.gz PWWPRRPSCDNCTF-QMMMGPOBSA-N -1 3 272.295 1.846 20 10 CDCDHM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126644786 260355367 /nfs/dbraw/zinc/35/53/67/260355367.db2.gz FBUNEXTZTWHNLG-GHMZBOCLSA-N -1 3 279.336 1.863 20 10 CDCDHM CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590439964 1173412144 /nfs/dbraw/zinc/41/21/44/1173412144.db2.gz VCCGFEISZXWQIZ-UWVGGRQHSA-N -1 3 291.355 1.384 20 10 CDCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2ncn(C)n2)c1[O-] ZINC000275664321 328215730 /nfs/dbraw/zinc/21/57/30/328215730.db2.gz YKIGDRGPSYOEJG-MRVPVSSYSA-N -1 3 292.314 1.713 20 10 CDCDHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccccc1[O-] ZINC000360001737 329069750 /nfs/dbraw/zinc/06/97/50/329069750.db2.gz WOPODKIIWWGGTG-OLZOCXBDSA-N -1 3 279.336 1.545 20 10 CDCDHM C[C@@]1(O)CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000230355899 333316867 /nfs/dbraw/zinc/31/68/67/333316867.db2.gz UPBCUCPMFQVVER-CQSZACIVSA-N -1 3 265.309 1.475 20 10 CDCDHM CCOCCN(CC)C(=O)c1cccc(O)c1[O-] ZINC000126417887 519908441 /nfs/dbraw/zinc/90/84/41/519908441.db2.gz IZYXCWBLNKPVRD-UHFFFAOYSA-N -1 3 253.298 1.596 20 10 CDCDHM CC(C)(C)OC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000279076891 518789921 /nfs/dbraw/zinc/78/99/21/518789921.db2.gz DQIQDQBWEQEGTC-UHFFFAOYSA-N -1 3 281.308 1.559 20 10 CDCDHM Cc1noc([C@H](C)NC(=O)c2cccc(O)c2[O-])n1 ZINC000790597823 1162161969 /nfs/dbraw/zinc/16/19/69/1162161969.db2.gz GKWLTQACISQCKR-LURJTMIESA-N -1 3 263.253 1.280 20 10 CDCDHM CC(=O)C[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000274796358 519437616 /nfs/dbraw/zinc/43/76/16/519437616.db2.gz NVXFKLSCZKPKRL-NSHDSACASA-N -1 3 293.319 1.226 20 10 CDCDHM CN(Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000096477925 523387842 /nfs/dbraw/zinc/38/78/42/523387842.db2.gz BOYUOORTZYJMBG-NSHDSACASA-N -1 3 255.339 1.011 20 10 CDCDHM COC(=O)[C@@H](C)CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079435398 523502356 /nfs/dbraw/zinc/50/23/56/523502356.db2.gz FRDUIYJTAOJREI-VIFPVBQESA-N -1 3 297.326 1.975 20 10 CDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCCO1 ZINC000126394261 524872167 /nfs/dbraw/zinc/87/21/67/524872167.db2.gz IFPRMUNHUNKBRP-SECBINFHSA-N -1 3 251.282 1.349 20 10 CDCDHM C[C@@H]1C[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000049249460 525486244 /nfs/dbraw/zinc/48/62/44/525486244.db2.gz PWTMHOWATNMLRC-BDAKNGLRSA-N -1 3 298.364 1.150 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](n2cccn2)C1 ZINC000291145729 526772482 /nfs/dbraw/zinc/77/24/82/526772482.db2.gz IBQWFXQJPKUNNP-JTQLQIEISA-N -1 3 273.292 1.382 20 10 CDCDHM [O-]c1ccc(F)cc1CN1CCC[C@@](F)(CO)C1 ZINC000289901016 527626005 /nfs/dbraw/zinc/62/60/05/527626005.db2.gz UJVYQTTZHIXOKM-ZDUSSCGKSA-N -1 3 257.280 1.828 20 10 CDCDHM CC(C)(C)C[C@@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000192878199 527696655 /nfs/dbraw/zinc/69/66/55/527696655.db2.gz YYBQOCKYGSUBMG-SECBINFHSA-N -1 3 267.325 1.625 20 10 CDCDHM O=C(c1cc([O-])cs1)N1CCC2(CC1)OCCO2 ZINC000731868822 575068615 /nfs/dbraw/zinc/06/86/15/575068615.db2.gz YIXFQWGWEBUPDJ-UHFFFAOYSA-N -1 3 269.322 1.433 20 10 CDCDHM COC(=O)[C@@H](NC(=O)c1cc([O-])cs1)C(C)C ZINC000735518590 575482372 /nfs/dbraw/zinc/48/23/72/575482372.db2.gz VLAWUTWXQBJKGP-VIFPVBQESA-N -1 3 257.311 1.381 20 10 CDCDHM CCNC(=O)C(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000746301848 576770165 /nfs/dbraw/zinc/77/01/65/576770165.db2.gz UGOGAKXSXBPMNR-UHFFFAOYSA-N -1 3 270.354 1.346 20 10 CDCDHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CN1C1CC1 ZINC000754025046 576874129 /nfs/dbraw/zinc/87/41/29/576874129.db2.gz NSXFHHDXFVVJHM-RKDXNWHRSA-N -1 3 266.366 1.809 20 10 CDCDHM CC(C)COC[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000748403853 576910886 /nfs/dbraw/zinc/91/08/86/576910886.db2.gz BHKCONDSGVIDHB-JTQLQIEISA-N -1 3 273.354 1.217 20 10 CDCDHM O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000236433073 598211761 /nfs/dbraw/zinc/21/17/61/598211761.db2.gz UJUSWQDONROWQL-NSHDSACASA-N -1 3 253.273 1.970 20 10 CDCDHM O=C([O-])[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000236433073 598211762 /nfs/dbraw/zinc/21/17/62/598211762.db2.gz UJUSWQDONROWQL-NSHDSACASA-N -1 3 253.273 1.970 20 10 CDCDHM Cc1cncc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC000893212500 617466612 /nfs/dbraw/zinc/46/66/12/617466612.db2.gz GKTXWAVSQUDUPA-PLNGDYQASA-N -1 3 296.330 1.878 20 10 CDCDHM COc1ccc(N(C)CCN(C)c2cc(=O)[n-]cn2)cc1 ZINC000894388874 618844252 /nfs/dbraw/zinc/84/42/52/618844252.db2.gz JZAGYSCKCWPXEW-UHFFFAOYSA-N -1 3 288.351 1.763 20 10 CDCDHM COc1cccc([O-])c1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000904429555 626291044 /nfs/dbraw/zinc/29/10/44/626291044.db2.gz KOYACHZQKXXERU-NWDGAFQWSA-N -1 3 291.347 1.943 20 10 CDCDHM COc1cccc([O-])c1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000904429555 626291045 /nfs/dbraw/zinc/29/10/45/626291045.db2.gz KOYACHZQKXXERU-NWDGAFQWSA-N -1 3 291.347 1.943 20 10 CDCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)c([O-])c1O ZINC000792811981 1162367311 /nfs/dbraw/zinc/36/73/11/1162367311.db2.gz IIQXKSSGUNAAIP-UHFFFAOYSA-N -1 3 298.298 1.902 20 10 CDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001142509029 1160688998 /nfs/dbraw/zinc/68/89/98/1160688998.db2.gz URKLVHMUEPGVFN-PELKAZGASA-N -1 3 261.243 1.575 20 10 CDCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](O)Cc2ccccc21 ZINC000790157249 1162130587 /nfs/dbraw/zinc/13/05/87/1162130587.db2.gz RMUPRRMFRMLYMQ-LLVKDONJSA-N -1 3 285.299 1.662 20 10 CDCDHM O=C(NCc1cccc(F)n1)c1cccc(O)c1[O-] ZINC000790902582 1162176733 /nfs/dbraw/zinc/17/67/33/1162176733.db2.gz XYSDHWRFURXGJC-UHFFFAOYSA-N -1 3 262.240 1.562 20 10 CDCDHM CC(C)(C)N1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000843939924 1164243826 /nfs/dbraw/zinc/24/38/26/1164243826.db2.gz PPUKGWULYJTPQQ-SNVBAGLBSA-N -1 3 292.335 1.227 20 10 CDCDHM O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001608696623 1164609258 /nfs/dbraw/zinc/60/92/58/1164609258.db2.gz LEPHTNZKDQYIMY-MFKMUULPSA-N -1 3 293.319 1.257 20 10 CDCDHM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001608696623 1164609263 /nfs/dbraw/zinc/60/92/63/1164609263.db2.gz LEPHTNZKDQYIMY-MFKMUULPSA-N -1 3 293.319 1.257 20 10 CDCDHM C[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)NCCF ZINC000883112527 1166485835 /nfs/dbraw/zinc/48/58/35/1166485835.db2.gz OYTOTLFXZJSUSE-ZETCQYMHSA-N -1 3 276.258 1.234 20 10 CDCDHM Oc1cccc(F)c1CNc1ncncc1-c1nnn[n-]1 ZINC001593539688 1174112139 /nfs/dbraw/zinc/11/21/39/1174112139.db2.gz COMIEQGLBNGBRA-UHFFFAOYSA-N -1 3 287.258 1.114 20 10 CDCDHM