smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272647628 353082301 /nfs/dbraw/zinc/08/23/01/353082301.db2.gz JMCMOCRFKOMIKX-QMMMGPOBSA-N -1 3 266.297 0.661 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN2C(=O)OC[C@@H]2C1 ZINC000366152185 357187155 /nfs/dbraw/zinc/18/71/55/357187155.db2.gz QNKYWKLBUBJCCX-QMMMGPOBSA-N -1 3 278.264 0.374 20 10 CCCDHM COc1c([O-])c(CN2CC(CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000297430629 200187501 /nfs/dbraw/zinc/18/75/01/200187501.db2.gz OLQUZNUKPGZNDK-UHFFFAOYSA-N -1 3 295.295 0.616 20 10 CCCDHM CNC(=O)C1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000297483276 200205976 /nfs/dbraw/zinc/20/59/76/200205976.db2.gz UKJMSJYXOVKDIS-UHFFFAOYSA-N -1 3 295.295 0.487 20 10 CCCDHM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000195151920 389117171 /nfs/dbraw/zinc/11/71/71/389117171.db2.gz DHUBYESTRKCNKM-XCBNKYQSSA-N -1 3 264.281 0.352 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@@](O)(C(N)=O)C2)c1[O-] ZINC000276480336 389516849 /nfs/dbraw/zinc/51/68/49/389516849.db2.gz RYAKMECXLSTANJ-AWEZNQCLSA-N -1 3 296.298 0.156 20 10 CCCDHM COC(=O)C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000126504497 260352812 /nfs/dbraw/zinc/35/28/12/260352812.db2.gz CSMYRRNQIUSFHT-SECBINFHSA-N -1 3 295.291 0.502 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@]2(O)CCOC2)c([O-])c1O ZINC000272554986 263006529 /nfs/dbraw/zinc/00/65/29/263006529.db2.gz BJIMGEIACIVRSB-ZDUSSCGKSA-N -1 3 267.281 0.287 20 10 CCCDHM O=C1CO[C@H]2CCN(Cc3cc(F)ccc3[O-])C[C@@H]2N1 ZINC000377223617 268057338 /nfs/dbraw/zinc/05/73/38/268057338.db2.gz KVICDBPLIGNOML-AAEUAGOBSA-N -1 3 280.299 0.621 20 10 CCCDHM COc1c([O-])c(CN2CC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278242787 521870344 /nfs/dbraw/zinc/87/03/44/521870344.db2.gz OBPIFXUXXDATAB-VIFPVBQESA-N -1 3 295.295 0.616 20 10 CCCDHM Cc1cc(Cl)cc(CN2C[C@H](O)[C@@H](O)C2)c1[O-] ZINC000278387048 524864837 /nfs/dbraw/zinc/86/48/37/524864837.db2.gz MLHORJVSLGQSOQ-QWRGUYRKSA-N -1 3 257.717 0.891 20 10 CCCDHM NC(=O)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000126312903 527012293 /nfs/dbraw/zinc/01/22/93/527012293.db2.gz RYRDZPZGOWRBTD-LLVKDONJSA-N -1 3 270.716 0.732 20 10 CCCDHM COC[C@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000778514288 581158459 /nfs/dbraw/zinc/15/84/59/581158459.db2.gz HFZGDURMOZESRK-ZETCQYMHSA-N -1 3 259.283 0.372 20 10 CCCDHM COC(=O)C(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000778314473 581151066 /nfs/dbraw/zinc/15/10/66/581151066.db2.gz HWVNPIRQLLPZEW-RXMQYKEDSA-N -1 3 258.251 0.741 20 10 CCCDHM CCOC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000790772702 581197545 /nfs/dbraw/zinc/19/75/45/581197545.db2.gz HYMKVDNMXAWVCI-NSHDSACASA-N -1 3 295.291 0.502 20 10 CCCDHM C[C@H](CCS(C)(=O)=O)NC(=O)c1cccc(O)c1[O-] ZINC000790895258 581201631 /nfs/dbraw/zinc/20/16/31/581201631.db2.gz IRPSCEONYOGNSF-MRVPVSSYSA-N -1 3 287.337 0.651 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN2C(=O)OCC[C@H]2C1 ZINC000790906018 581202030 /nfs/dbraw/zinc/20/20/30/581202030.db2.gz BKOLHENVJCLARX-VIFPVBQESA-N -1 3 292.291 0.765 20 10 CCCDHM O=C(N[C@H](CO)C1CCOCC1)c1cccc(O)c1[O-] ZINC000790926329 581202249 /nfs/dbraw/zinc/20/22/49/581202249.db2.gz LYNUTYAFHPDJET-LLVKDONJSA-N -1 3 281.308 0.615 20 10 CCCDHM Cc1ccc(C(=O)NC2(C(N)=O)CCCC2)c([O-])c1O ZINC000780938505 581251129 /nfs/dbraw/zinc/25/11/29/581251129.db2.gz MMFDNNIVMPOLHF-UHFFFAOYSA-N -1 3 278.308 0.934 20 10 CCCDHM O=C(N[C@@H](CO)Cc1ccncc1)c1cccc(O)c1[O-] ZINC000793948978 581322750 /nfs/dbraw/zinc/32/27/50/581322750.db2.gz NTKUIZLXWIJZQN-LLVKDONJSA-N -1 3 288.303 0.826 20 10 CCCDHM O=C(NCCN1CCCOCC1)c1cc([O-])cs1 ZINC000783935010 581367861 /nfs/dbraw/zinc/36/78/61/581367861.db2.gz VDDJBBZSRXABGM-UHFFFAOYSA-N -1 3 270.354 0.906 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCN2CCOC[C@@H]2C1 ZINC000758684907 581763911 /nfs/dbraw/zinc/76/39/11/581763911.db2.gz QXPHTVWJHQPOEA-VIFPVBQESA-N -1 3 268.338 0.610 20 10 CCCDHM NC(=O)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731863999 581784357 /nfs/dbraw/zinc/78/43/57/581784357.db2.gz IPFXOFSKOHCVBM-UHFFFAOYSA-N -1 3 254.311 0.791 20 10 CCCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC(N)=O ZINC000731911535 581790409 /nfs/dbraw/zinc/79/04/09/581790409.db2.gz LCJALAHWXIBQPD-BYPYZUCNSA-N -1 3 258.255 0.194 20 10 CCCDHM C[C@@H]1COCCN1CCNC(=O)c1cc([O-])cs1 ZINC000732286267 581817325 /nfs/dbraw/zinc/81/73/25/581817325.db2.gz BMVUAHYYDQFIKM-SECBINFHSA-N -1 3 270.354 0.904 20 10 CCCDHM COC[C@@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000743604755 581818750 /nfs/dbraw/zinc/81/87/50/581818750.db2.gz QJGPZINLPTWURJ-VIFPVBQESA-N -1 3 257.311 0.941 20 10 CCCDHM C[C@H]1C(=O)NCCCN1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000788048602 581847593 /nfs/dbraw/zinc/84/75/93/581847593.db2.gz RSSFHSCLEJCUEQ-ZANVPECISA-N -1 3 292.335 0.528 20 10 CCCDHM COc1cccc(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1O ZINC000761214588 581896564 /nfs/dbraw/zinc/89/65/64/581896564.db2.gz CERMUYLSZPTDNV-JTQLQIEISA-N -1 3 291.307 0.137 20 10 CCCDHM CCNC(=O)N1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000761610076 581915188 /nfs/dbraw/zinc/91/51/88/581915188.db2.gz YSZWLKUVYODBKH-QMMMGPOBSA-N -1 3 283.353 0.987 20 10 CCCDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)C1=CC(=O)CS1 ZINC000737775835 581999476 /nfs/dbraw/zinc/99/94/76/581999476.db2.gz FQNJELAREADEJR-UHFFFAOYSA-N -1 3 277.269 0.101 20 10 CCCDHM CCN(C)C(=O)CNCc1c([O-])cccc1OC ZINC000775367215 582021329 /nfs/dbraw/zinc/02/13/29/582021329.db2.gz ZAOCLLCNFADDCL-UHFFFAOYSA-N -1 3 252.314 0.969 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCN2C(=O)OC[C@H]2C1 ZINC000764348756 582043128 /nfs/dbraw/zinc/04/31/28/582043128.db2.gz WNKNCDIDAQEWOQ-SSDOTTSWSA-N -1 3 268.294 0.730 20 10 CCCDHM CN(Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCNC1=O ZINC000768465454 582107176 /nfs/dbraw/zinc/10/71/76/582107176.db2.gz NCKDJXOOTKRULX-CMPLNLGQSA-N -1 3 278.308 0.138 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC3(CC3)C2)c1 ZINC000926460906 617178231 /nfs/dbraw/zinc/17/82/31/617178231.db2.gz YSOVBPWQEFELPV-UHFFFAOYSA-N -1 3 296.348 1.000 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@@H]3C2)c1 ZINC000862555351 617178598 /nfs/dbraw/zinc/17/85/98/617178598.db2.gz JYHTWPYGMLORLE-DTORHVGOSA-N -1 3 296.348 0.856 20 10 CCCDHM CC(=O)NCCNC(=O)NCc1c([O-])cccc1F ZINC000913872990 613740172 /nfs/dbraw/zinc/74/01/72/613740172.db2.gz ZIGCXTROSLSUMN-UHFFFAOYSA-N -1 3 269.276 0.467 20 10 CCCDHM CN1C(=O)CC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709236 616132420 /nfs/dbraw/zinc/13/24/20/616132420.db2.gz ZSKSVMJHJFTVMY-JTQLQIEISA-N -1 3 266.272 0.768 20 10 CCCDHM COC(=O)COCCNC(=O)c1cccc(O)c1[O-] ZINC000862953622 616616545 /nfs/dbraw/zinc/61/65/45/616616545.db2.gz TYAPHDDFHYXQDY-UHFFFAOYSA-N -1 3 269.253 0.017 20 10 CCCDHM CO[C@H]1COCC[C@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000882369397 617115593 /nfs/dbraw/zinc/11/55/93/617115593.db2.gz OGZDSPRJHLCQKW-PWSUYJOCSA-N -1 3 281.308 0.974 20 10 CCCDHM [O-]c1c(F)cc(F)cc1CN1C[C@H](O)C[C@H](O)C1 ZINC000894085950 631509395 /nfs/dbraw/zinc/50/93/95/631509395.db2.gz RVAATLVXQGXRAM-AOOOYVTPSA-N -1 3 259.252 0.598 20 10 CCCDHM C[C@H]1OC(=O)N[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709062 632547347 /nfs/dbraw/zinc/54/73/47/632547347.db2.gz XAOAASIVUQCLDU-LHLIQPBNSA-N -1 3 268.244 0.644 20 10 CCCDHM O=S(=O)(NCc1c([O-])cccc1F)C1COC1 ZINC000921452218 638185173 /nfs/dbraw/zinc/18/51/73/638185173.db2.gz IAMMYEZJXVJKSJ-UHFFFAOYSA-N -1 3 261.274 0.350 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000922442057 639696780 /nfs/dbraw/zinc/69/67/80/639696780.db2.gz DNQWTIDRKPZLBT-JOYOIKCWSA-N -1 3 290.319 0.839 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](CF)C1 ZINC000839803812 640407874 /nfs/dbraw/zinc/40/78/74/640407874.db2.gz KACZFJIVWMJOON-MRVPVSSYSA-N -1 3 255.245 0.908 20 10 CCCDHM O=C(NCC[C@H]1CNC(=O)C1)c1cccc(O)c1[O-] ZINC000831951914 642417320 /nfs/dbraw/zinc/41/73/20/642417320.db2.gz ZNFIYVAEMOSWMI-MRVPVSSYSA-N -1 3 264.281 0.354 20 10 CCCDHM O=C([O-])c1cnn2c1[nH]c(CN1CC[C@H]3C[C@H]3C1)cc2=O ZINC000851708905 643874127 /nfs/dbraw/zinc/87/41/27/643874127.db2.gz AKLBGASEIAASIX-IUCAKERBSA-N -1 3 288.307 0.975 20 10 CCCDHM O=C([O-])[C@]12COC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000854241294 644181752 /nfs/dbraw/zinc/18/17/52/644181752.db2.gz MARMFJLLJJCGKP-BXUZGUMPSA-N -1 3 263.293 0.925 20 10 CCCDHM O=C([O-])[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000854241294 644181756 /nfs/dbraw/zinc/18/17/56/644181756.db2.gz MARMFJLLJJCGKP-BXUZGUMPSA-N -1 3 263.293 0.925 20 10 CCCDHM Cc1ccc(C(=O)N2CCOCCN2)c([O-])c1O ZINC000854691735 644250797 /nfs/dbraw/zinc/25/07/97/644250797.db2.gz URVKCPAQLPYHOZ-UHFFFAOYSA-N -1 3 252.270 0.383 20 10 CCCDHM [O-]c1cccc(Br)c1CN1C[C@H](O)[C@@H](O)C1 ZINC000862446018 645000221 /nfs/dbraw/zinc/00/02/21/645000221.db2.gz MLTAUNGMURRCQE-QWRGUYRKSA-N -1 3 288.141 0.692 20 10 CCCDHM O=C(CN1CSCC1=O)NCc1c([O-])cccc1F ZINC000928709853 648658843 /nfs/dbraw/zinc/65/88/43/648658843.db2.gz MMOCGPGLDURXBL-UHFFFAOYSA-N -1 3 284.312 0.680 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC001231451404 805806544 /nfs/dbraw/zinc/80/65/44/805806544.db2.gz MIANGVLOAWYSKI-SECBINFHSA-N -1 3 251.282 0.905 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC001231451404 805806550 /nfs/dbraw/zinc/80/65/50/805806550.db2.gz MIANGVLOAWYSKI-SECBINFHSA-N -1 3 251.282 0.905 20 10 CCCDHM CN1C[C@@H](CNC(=O)c2cccc(O)c2[O-])CC1=O ZINC000723389054 791192921 /nfs/dbraw/zinc/19/29/21/791192921.db2.gz SZLZSJWTLXUFQR-MRVPVSSYSA-N -1 3 264.281 0.306 20 10 CCCDHM Cn1cc(C(C)(C)NC(=O)c2cccc(O)c2[O-])nn1 ZINC001162943180 802441913 /nfs/dbraw/zinc/44/19/13/802441913.db2.gz LFXLDZCAWFLEGL-UHFFFAOYSA-N -1 3 276.296 0.891 20 10 CCCDHM O=S(=O)(NCc1c([O-])cccc1F)c1c[nH]cn1 ZINC001213797704 803704766 /nfs/dbraw/zinc/70/47/66/803704766.db2.gz KVJZPXNSWYSFSS-UHFFFAOYSA-N -1 3 271.273 0.733 20 10 CCCDHM NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001269559400 813421106 /nfs/dbraw/zinc/42/11/06/813421106.db2.gz BUQIYSSSGJKFGC-BZBKMWRSSA-N -1 3 290.319 0.681 20 10 CCCDHM O=C(N[C@H](CO)C(F)(F)F)c1cccc(O)c1[O-] ZINC001148224129 840766401 /nfs/dbraw/zinc/76/64/01/840766401.db2.gz CYYCZXFIDLLOOL-SSDOTTSWSA-N -1 3 265.187 0.751 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCc2nccn2CC1 ZINC001148584351 840851748 /nfs/dbraw/zinc/85/17/48/840851748.db2.gz SRVKEWAENYZYCO-UHFFFAOYSA-N -1 3 289.291 0.698 20 10 CCCDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)n(N)c(=O)c1 ZINC001148589572 840857563 /nfs/dbraw/zinc/85/75/63/840857563.db2.gz CHHANAXAHYOVRL-UHFFFAOYSA-N -1 3 291.263 0.240 20 10 CCCDHM CN(C)c1cc(F)c(CN[C@H](CO)C(=O)[O-])cc1F ZINC001119613566 856777826 /nfs/dbraw/zinc/77/78/26/856777826.db2.gz KTKPTDOJBLUKCB-SNVBAGLBSA-N -1 3 274.267 0.566 20 10 CCCDHM C[C@@H](O)C[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC001447512166 930648095 /nfs/dbraw/zinc/64/80/95/930648095.db2.gz YSKXVYYXDXCUDP-ZJUUUORDSA-N -1 3 281.308 0.710 20 10 CCCDHM COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)C(=O)[O-])c1[O-] ZINC001604719614 973919740 /nfs/dbraw/zinc/91/97/40/973919740.db2.gz JEQRDZZGDHCLLI-GFCCVEGCSA-N -1 3 289.715 0.979 20 10 CCCDHM COC[C@@H](O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272940246 353107943 /nfs/dbraw/zinc/10/79/43/353107943.db2.gz HDGVLHCWQKDUOO-VIFPVBQESA-N -1 3 269.297 0.533 20 10 CCCDHM CCN1CCN(Cc2cc3c(cc2[O-])OCO3)CC1=O ZINC000273484671 353112271 /nfs/dbraw/zinc/11/22/71/353112271.db2.gz MABAVSYVJQUVFM-UHFFFAOYSA-N -1 3 278.308 0.785 20 10 CCCDHM COC[C@@](C)(NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000272718568 353088178 /nfs/dbraw/zinc/08/81/78/353088178.db2.gz GRDBXHMRMQYFEZ-CQSZACIVSA-N -1 3 297.307 0.714 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@]2(CCOC2)C1 ZINC000280567215 353369394 /nfs/dbraw/zinc/36/93/94/353369394.db2.gz VLNIHCNRHFSEMO-CQSZACIVSA-N -1 3 279.292 0.729 20 10 CCCDHM CCN(CCOCCO)C(=O)c1ccc(C)c(O)c1[O-] ZINC000282296761 353411433 /nfs/dbraw/zinc/41/14/33/353411433.db2.gz BBWARSDRXPRVSJ-UHFFFAOYSA-N -1 3 283.324 0.877 20 10 CCCDHM C[C@@H]1CCNC(=O)[C@@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000193612777 389074650 /nfs/dbraw/zinc/07/46/50/389074650.db2.gz WSLAGHFRQUHVPF-PRHODGIISA-N -1 3 279.296 0.915 20 10 CCCDHM C[C@H](C(=O)NC(N)=O)N(C)Cc1ccccc1[O-] ZINC000109769600 389099813 /nfs/dbraw/zinc/09/98/13/389099813.db2.gz UMFQLDAMEZMSPV-MRVPVSSYSA-N -1 3 251.286 0.407 20 10 CCCDHM Cc1ccc(C(=O)N(C)CCS(C)(=O)=O)c([O-])c1O ZINC000272848886 263009346 /nfs/dbraw/zinc/00/93/46/263009346.db2.gz SGPMLEPMUOTCOW-UHFFFAOYSA-N -1 3 287.337 0.523 20 10 CCCDHM CCN1CCCN(C(=O)c2cccc(O)c2[O-])CC1=O ZINC000276334286 263036364 /nfs/dbraw/zinc/03/63/64/263036364.db2.gz LLVTXKYBRUYALZ-UHFFFAOYSA-N -1 3 278.308 0.792 20 10 CCCDHM CNC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187085387 327943162 /nfs/dbraw/zinc/94/31/62/327943162.db2.gz PMNYVXSFCXJKHW-SECBINFHSA-N -1 3 278.308 0.696 20 10 CCCDHM O=C(NCCN1CCCOCC1)c1c(F)ccc(O)c1[O-] ZINC000295715064 328286809 /nfs/dbraw/zinc/28/68/09/328286809.db2.gz GLRIHUQQCRCQHS-UHFFFAOYSA-N -1 3 298.314 0.689 20 10 CCCDHM CNC(=O)[C@]1(C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000230902318 333322474 /nfs/dbraw/zinc/32/24/74/333322474.db2.gz KWFOQCAVIDEPLX-CQSZACIVSA-N -1 3 278.308 0.696 20 10 CCCDHM CCN1C(=S)N=NC1CNC(=O)c1cccc(O)c1[O-] ZINC000275059766 523216688 /nfs/dbraw/zinc/21/66/88/523216688.db2.gz YOHQQIFNURNLHY-UHFFFAOYSA-N -1 3 294.336 0.928 20 10 CCCDHM O=C(N[C@@]1(CCO)CCOC1)c1cccc(O)c1[O-] ZINC000277972227 526986528 /nfs/dbraw/zinc/98/65/28/526986528.db2.gz BGLNOAFCSGKKAQ-ZDUSSCGKSA-N -1 3 267.281 0.369 20 10 CCCDHM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000365768508 526987106 /nfs/dbraw/zinc/98/71/06/526987106.db2.gz HJFGIZSMXDTFRE-AUTRQRHGSA-N -1 3 290.319 0.824 20 10 CCCDHM COCCOC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000790785468 581198247 /nfs/dbraw/zinc/19/82/47/581198247.db2.gz LYDWXOBHLJODTD-SECBINFHSA-N -1 3 269.297 0.879 20 10 CCCDHM O=C(CNC(=O)c1cccc(O)c1[O-])NCc1ccco1 ZINC000790483889 581188878 /nfs/dbraw/zinc/18/88/78/581188878.db2.gz NFCVZUCPICBADJ-UHFFFAOYSA-N -1 3 290.275 0.737 20 10 CCCDHM Cn1cc([C@@H](O)CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000790783913 581198277 /nfs/dbraw/zinc/19/82/77/581198277.db2.gz CHIIUWMTBIBVFE-NSHDSACASA-N -1 3 277.280 0.295 20 10 CCCDHM O=C(N[C@H](CCO)C1CC1)c1cccc(O)c1[O-] ZINC000790892756 581201625 /nfs/dbraw/zinc/20/16/25/581201625.db2.gz ZYVSMSVEOAVPSN-SNVBAGLBSA-N -1 3 251.282 0.989 20 10 CCCDHM CCN1CN(C(=O)c2cccc(O)c2[O-])CC1=O ZINC000791988147 581242700 /nfs/dbraw/zinc/24/27/00/581242700.db2.gz SNDVPCSFAGDLPE-UHFFFAOYSA-N -1 3 250.254 0.360 20 10 CCCDHM COC(=O)[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCO1 ZINC000780929563 581250060 /nfs/dbraw/zinc/25/00/60/581250060.db2.gz UWZIKJFVCDEVCV-SNVBAGLBSA-N -1 3 295.291 0.420 20 10 CCCDHM CCOCCNC(=O)COC(=O)c1cc([O-])cs1 ZINC000753456888 581542610 /nfs/dbraw/zinc/54/26/10/581542610.db2.gz VJMXNWLZXYNRHS-UHFFFAOYSA-N -1 3 273.310 0.763 20 10 CCCDHM O=C(COC(=O)c1cc([O-])cs1)NC(=O)NC1CC1 ZINC000732353191 581820213 /nfs/dbraw/zinc/82/02/13/581820213.db2.gz NNORSAHTUDFUIZ-UHFFFAOYSA-N -1 3 284.293 0.599 20 10 CCCDHM NS(=O)(=O)CCCOC(=O)c1cc([O-])cs1 ZINC000745002346 581861647 /nfs/dbraw/zinc/86/16/47/581861647.db2.gz JESBMHHMRXNRKR-UHFFFAOYSA-N -1 3 265.312 0.289 20 10 CCCDHM C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000762506383 581948309 /nfs/dbraw/zinc/94/83/09/581948309.db2.gz FEMOXINMFXJKMB-VIFPVBQESA-N -1 3 299.348 0.747 20 10 CCCDHM CC(=O)c1cc(F)cc(CN[C@@]2(C(N)=O)CCOC2)c1[O-] ZINC000847054305 614249181 /nfs/dbraw/zinc/24/91/81/614249181.db2.gz UUPVNTIBJPAOER-AWEZNQCLSA-N -1 3 296.298 0.468 20 10 CCCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000126270696 615904658 /nfs/dbraw/zinc/90/46/58/615904658.db2.gz WLOOERJLLRMTRA-MRVPVSSYSA-N -1 3 285.321 0.357 20 10 CCCDHM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1cccc(O)c1[O-] ZINC000899837043 616374357 /nfs/dbraw/zinc/37/43/57/616374357.db2.gz DIIIYKQBJGMCPW-ZJUUUORDSA-N -1 3 290.319 0.933 20 10 CCCDHM COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000846483145 616382796 /nfs/dbraw/zinc/38/27/96/616382796.db2.gz KBQRZBYSLMUCOT-KWQFWETISA-N -1 3 295.291 0.500 20 10 CCCDHM COCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048923150 631862326 /nfs/dbraw/zinc/86/23/26/631862326.db2.gz XFYUANCKBKAVGI-UHFFFAOYSA-N -1 3 288.325 0.140 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](O)C(F)(F)C1 ZINC000855445317 644320572 /nfs/dbraw/zinc/32/05/72/644320572.db2.gz MAZGMGBMJVMPQT-VIFPVBQESA-N -1 3 273.235 0.940 20 10 CCCDHM C[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])CS1(=O)=O ZINC000855704581 644353742 /nfs/dbraw/zinc/35/37/42/644353742.db2.gz WYXPSQVMRFCHJB-RKDXNWHRSA-N -1 3 299.348 0.793 20 10 CCCDHM NC(=O)C[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000862535721 645005631 /nfs/dbraw/zinc/00/56/31/645005631.db2.gz XDHAMJBTKIUBNW-LLVKDONJSA-N -1 3 268.288 0.608 20 10 CCCDHM C[C@H]1CO[C@H](CO)CN1C(=O)c1cccc(O)c1[O-] ZINC000126495887 646808154 /nfs/dbraw/zinc/80/81/54/646808154.db2.gz NSRPGLJXLYQKQJ-IUCAKERBSA-N -1 3 267.281 0.320 20 10 CCCDHM C[C@H](CS(C)(=O)=O)C(=O)NCc1c([O-])cccc1F ZINC000928705856 648658267 /nfs/dbraw/zinc/65/82/67/648658267.db2.gz OFDVXOKVAZREGE-MRVPVSSYSA-N -1 3 289.328 0.828 20 10 CCCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC001231564474 805818803 /nfs/dbraw/zinc/81/88/03/805818803.db2.gz RDXCRBQDNCCOHO-SECBINFHSA-N -1 3 251.282 0.905 20 10 CCCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC001231564474 805818811 /nfs/dbraw/zinc/81/88/11/805818811.db2.gz RDXCRBQDNCCOHO-SECBINFHSA-N -1 3 251.282 0.905 20 10 CCCDHM NC(=O)c1[nH]nc2c1CN(Cc1cc(F)ccc1[O-])C2 ZINC001278254577 806792958 /nfs/dbraw/zinc/79/29/58/806792958.db2.gz ADPJBHSHESSHJV-UHFFFAOYSA-N -1 3 276.271 0.869 20 10 CCCDHM COC(=O)/C=C/[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001159782644 801868342 /nfs/dbraw/zinc/86/83/42/801868342.db2.gz HRPSOFSFSMFVPA-HYDMIIDASA-N -1 3 265.265 0.945 20 10 CCCDHM C[C@@H](NCc1nnn(C)n1)c1cc(F)ccc1[O-] ZINC000398058580 811890989 /nfs/dbraw/zinc/89/09/89/811890989.db2.gz FMWLBZSUSWDXIW-SSDOTTSWSA-N -1 3 251.265 0.906 20 10 CCCDHM NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001269560042 813420726 /nfs/dbraw/zinc/42/07/26/813420726.db2.gz LWXSEVDDRCXMFS-WPPNPWJKSA-N -1 3 262.265 0.188 20 10 CCCDHM CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000714248730 814580640 /nfs/dbraw/zinc/58/06/40/814580640.db2.gz POUGVKCNDAWTEA-ZKCHVHJHSA-N -1 3 285.321 0.403 20 10 CCCDHM Cn1cnc(NC(=O)c2cccc(O)c2[O-])c2ncnc1-2 ZINC001148212535 840762066 /nfs/dbraw/zinc/76/20/66/840762066.db2.gz CNQMQCQLEPGJLJ-UHFFFAOYSA-N -1 3 285.263 0.978 20 10 CCCDHM O=C(Nc1[nH]nc2nccnc21)c1cccc(O)c1[O-] ZINC001148212926 840762400 /nfs/dbraw/zinc/76/24/00/840762400.db2.gz OWSQEZOBZFBWJU-UHFFFAOYSA-N -1 3 271.236 0.968 20 10 CCCDHM CCN(CCC(=O)OC)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588132 840852177 /nfs/dbraw/zinc/85/21/77/840852177.db2.gz PDDLOZGZYOICPO-UHFFFAOYSA-N -1 3 283.280 0.829 20 10 CCCDHM O=C(N[C@H]1CCc2n[nH]cc2C1)c1cc(O)c([O-])c(O)c1 ZINC001148589621 840857252 /nfs/dbraw/zinc/85/72/52/840857252.db2.gz FBZXYJWQKJDPDB-VIFPVBQESA-N -1 3 289.291 0.814 20 10 CCCDHM Cc1nnc(CNC(=O)c2cc(O)c([O-])c(O)c2)[nH]1 ZINC001148591090 840857300 /nfs/dbraw/zinc/85/73/00/840857300.db2.gz UGVBETZANYQWDI-UHFFFAOYSA-N -1 3 264.241 0.160 20 10 CCCDHM O=C(NC1=CCOC1=O)c1ccc([O-])c(O)c1Cl ZINC001193247080 846033580 /nfs/dbraw/zinc/03/35/80/846033580.db2.gz KCUDSGOAQRTJNO-UHFFFAOYSA-N -1 3 269.640 0.922 20 10 CCCDHM CN1CCN(C(=O)c2cccc(O)c2[O-])CCC1=O ZINC000688935495 849207409 /nfs/dbraw/zinc/20/74/09/849207409.db2.gz YOCHKSLMZZZLKS-UHFFFAOYSA-N -1 3 264.281 0.402 20 10 CCCDHM CCN1C[C@H](NC(=O)c2cccc(O)c2[O-])CC1=O ZINC000391663866 854069790 /nfs/dbraw/zinc/06/97/90/854069790.db2.gz RDECGRJJCHVUIG-MRVPVSSYSA-N -1 3 264.281 0.448 20 10 CCCDHM COC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000395721262 854340161 /nfs/dbraw/zinc/34/01/61/854340161.db2.gz PFWLGZMNKIJUEM-UHFFFAOYSA-N -1 3 280.280 0.622 20 10 CCCDHM O=C(NCCC1(CO)CC1)c1cccc(O)c1[O-] ZINC000395916920 854351969 /nfs/dbraw/zinc/35/19/69/854351969.db2.gz VLNFXEBDCVUGKP-UHFFFAOYSA-N -1 3 251.282 0.990 20 10 CCCDHM C[C@H](O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC001333186525 918718326 /nfs/dbraw/zinc/71/83/26/918718326.db2.gz JFMUEJHQCVDRNY-JVXZTZIISA-N -1 3 288.294 0.954 20 10 CCCDHM O=C(NC[C@H]1CC[C@H](O)C1)c1cccc(O)c1[O-] ZINC000191214544 351750931 /nfs/dbraw/zinc/75/09/31/351750931.db2.gz RTRFGZCIGZJMRM-IUCAKERBSA-N -1 3 251.282 0.989 20 10 CCCDHM C[C@@H]1CCNC(=O)[C@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000193612807 351836146 /nfs/dbraw/zinc/83/61/46/351836146.db2.gz WSLAGHFRQUHVPF-PELKAZGASA-N -1 3 279.296 0.915 20 10 CCCDHM CN(CCN1CCOCC1)C(=O)c1cccc(O)c1[O-] ZINC000193008420 351807140 /nfs/dbraw/zinc/80/71/40/351807140.db2.gz IHPLZTNJTGSSCP-UHFFFAOYSA-N -1 3 280.324 0.502 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](C)N1CCOCC1 ZINC000193022997 351808430 /nfs/dbraw/zinc/80/84/30/351808430.db2.gz JHNPQTRUQBRWDD-GHMZBOCLSA-N -1 3 294.351 0.937 20 10 CCCDHM COCCOCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000271317765 353033187 /nfs/dbraw/zinc/03/31/87/353033187.db2.gz WTHRCOAGFNJJKL-UHFFFAOYSA-N -1 3 269.297 0.799 20 10 CCCDHM COC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCO1 ZINC000272706699 353086640 /nfs/dbraw/zinc/08/66/40/353086640.db2.gz CRAXXPDHBDVSOX-SNVBAGLBSA-N -1 3 281.308 0.894 20 10 CCCDHM CNC(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000272744655 353090582 /nfs/dbraw/zinc/09/05/82/353090582.db2.gz LZLOTFBTXMIJDR-LBPRGKRZSA-N -1 3 284.743 0.992 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H](O)C2CC2)c([O-])c1O ZINC000272800013 353096080 /nfs/dbraw/zinc/09/60/80/353096080.db2.gz YKUZQQUVYCMSHM-JTQLQIEISA-N -1 3 251.282 0.907 20 10 CCCDHM COc1c([O-])c(CN2CCOC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000294825420 353890452 /nfs/dbraw/zinc/89/04/52/353890452.db2.gz PLCUSYHRRKFAIN-SNVBAGLBSA-N -1 3 298.295 0.502 20 10 CCCDHM C[C@H](NCCS(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595948 299300069 /nfs/dbraw/zinc/30/00/69/299300069.db2.gz QPRPBNGRJVIQDH-QMMMGPOBSA-N -1 3 288.325 0.996 20 10 CCCDHM Cn1ncc(CCCNC(=O)c2cccc(O)c2[O-])n1 ZINC000294156641 388991398 /nfs/dbraw/zinc/99/13/98/388991398.db2.gz YAYIJDODCFAUCJ-UHFFFAOYSA-N -1 3 276.296 0.589 20 10 CCCDHM C[C@@H]1CC(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000373849944 389521809 /nfs/dbraw/zinc/52/18/09/389521809.db2.gz JGDKWMCUFMPBNU-MRVPVSSYSA-N -1 3 264.281 0.448 20 10 CCCDHM COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000179881405 389664115 /nfs/dbraw/zinc/66/41/15/389664115.db2.gz JGEKOZDLCHABIK-LLVKDONJSA-N -1 3 296.298 0.395 20 10 CCCDHM CNC(=O)NC[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000529643514 390848683 /nfs/dbraw/zinc/84/86/83/390848683.db2.gz KKEKRLVXDRTYIQ-LBPRGKRZSA-N -1 3 297.330 0.661 20 10 CCCDHM O=C(NCC1(O)CCOCC1)c1cccc(O)c1[O-] ZINC000126633665 260355238 /nfs/dbraw/zinc/35/52/38/260355238.db2.gz HAEOCDHXKBFJOH-UHFFFAOYSA-N -1 3 267.281 0.369 20 10 CCCDHM O=C(NCCCN1CCCC1=O)c1cccc(O)c1[O-] ZINC000186754150 262109063 /nfs/dbraw/zinc/10/90/63/262109063.db2.gz PYRIWBDNHNGIGX-UHFFFAOYSA-N -1 3 278.308 0.840 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCN(CCO)CC2)c1[O-] ZINC000050132176 518282673 /nfs/dbraw/zinc/28/26/73/518282673.db2.gz GWZHOSSLMNUCEC-UHFFFAOYSA-N -1 3 296.342 0.844 20 10 CCCDHM COC[C@@](C)(CCO)NC(=O)c1cccc(O)c1[O-] ZINC000275231222 522523575 /nfs/dbraw/zinc/52/35/75/522523575.db2.gz DTRJFYNJHUSLDL-CYBMUJFWSA-N -1 3 269.297 0.615 20 10 CCCDHM COC[C@H](CO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000280075164 522684482 /nfs/dbraw/zinc/68/44/82/522684482.db2.gz RTVNQPSEJJOTFU-QMMMGPOBSA-N -1 3 255.270 0.143 20 10 CCCDHM O=C(N[C@@H]1CC[S@@](=O)C1)c1cccc(O)c1[O-] ZINC000790808131 581199334 /nfs/dbraw/zinc/19/93/34/581199334.db2.gz OIFRQCBEYODNOW-IWEMQMMOSA-N -1 3 255.295 0.349 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c([O-])c1O ZINC000780942075 581251148 /nfs/dbraw/zinc/25/11/48/581251148.db2.gz YXQKLALYYMTIFA-VIFPVBQESA-N -1 3 299.348 0.713 20 10 CCCDHM CN(C)S(=O)(=O)CCCOC(=O)c1cc([O-])cs1 ZINC000783607170 581352814 /nfs/dbraw/zinc/35/28/14/581352814.db2.gz DQCDKIYKYMBXRN-UHFFFAOYSA-N -1 3 293.366 0.892 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN2C(=O)N=NC2C1 ZINC000783713794 581356899 /nfs/dbraw/zinc/35/68/99/581356899.db2.gz KCCHXOBYDDDKHT-UHFFFAOYSA-N -1 3 276.252 0.051 20 10 CCCDHM CCOc1ccc(CN2CCN(CC(N)=O)CC2)c([O-])c1 ZINC000768216587 581648550 /nfs/dbraw/zinc/64/85/50/581648550.db2.gz DJUOYUQTFVUGOW-UHFFFAOYSA-N -1 3 293.367 0.394 20 10 CCCDHM CN(CC(=O)NC1CC1)C(=O)c1cc([O-])cs1 ZINC000757713940 581707322 /nfs/dbraw/zinc/70/73/22/581707322.db2.gz VSKATXILMXMPGX-UHFFFAOYSA-N -1 3 254.311 0.804 20 10 CCCDHM Cc1ccc(C(=O)N2CCC3(C2)OCCO3)c([O-])c1O ZINC000770482754 581747145 /nfs/dbraw/zinc/74/71/45/581747145.db2.gz CNVMUTGVFDJDPF-UHFFFAOYSA-N -1 3 279.292 0.995 20 10 CCCDHM COCCN1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732290134 581817681 /nfs/dbraw/zinc/81/76/81/581817681.db2.gz QBIHBOACNPTDLE-SECBINFHSA-N -1 3 270.354 0.904 20 10 CCCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1nnc[n-]1 ZINC000746208217 581900767 /nfs/dbraw/zinc/90/07/67/581900767.db2.gz VNSAQLKINLSARC-UHFFFAOYSA-N -1 3 273.296 0.910 20 10 CCCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc[n-]n1 ZINC000746208217 581900770 /nfs/dbraw/zinc/90/07/70/581900770.db2.gz VNSAQLKINLSARC-UHFFFAOYSA-N -1 3 273.296 0.910 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCN(C2CC2)C(=O)C1 ZINC000748505133 581977992 /nfs/dbraw/zinc/97/79/92/581977992.db2.gz YWMMDJMBNYWALV-UHFFFAOYSA-N -1 3 266.322 0.901 20 10 CCCDHM CC(=O)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126339254 613841799 /nfs/dbraw/zinc/84/17/99/613841799.db2.gz NIQJYINGOZJYPN-UHFFFAOYSA-N -1 3 278.308 0.792 20 10 CCCDHM CCN(OC)C(=O)CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000842767989 615076128 /nfs/dbraw/zinc/07/61/28/615076128.db2.gz FNGQQMRXDQXURU-UHFFFAOYSA-N -1 3 283.284 0.800 20 10 CCCDHM CCOC(=O)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126308991 615266237 /nfs/dbraw/zinc/26/62/37/615266237.db2.gz NAHZRWCNZCHNEF-SSDOTTSWSA-N -1 3 253.254 0.779 20 10 CCCDHM CCN1C[C@@H](CNC(=O)c2cccc(O)c2[O-])CC1=O ZINC000846460610 615347135 /nfs/dbraw/zinc/34/71/35/615347135.db2.gz CNJSMJXZALIGQO-SECBINFHSA-N -1 3 278.308 0.696 20 10 CCCDHM CCO[N-]C(=O)C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000846087582 615374171 /nfs/dbraw/zinc/37/41/71/615374171.db2.gz GHMAKAODDDVYOH-UHFFFAOYSA-N -1 3 268.313 0.948 20 10 CCCDHM CCn1nnc(C)c1CNC(=O)c1cccc(O)c1[O-] ZINC000862082601 615744179 /nfs/dbraw/zinc/74/41/79/615744179.db2.gz LILZQSWSQQVXEO-UHFFFAOYSA-N -1 3 276.296 0.948 20 10 CCCDHM CC[C@](COC)(NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000837256025 615964888 /nfs/dbraw/zinc/96/48/88/615964888.db2.gz KTTKHKCDIBXEFT-CQSZACIVSA-N -1 3 297.307 0.796 20 10 CCCDHM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000855451916 616497318 /nfs/dbraw/zinc/49/73/18/616497318.db2.gz FIYFLNMPUIESTG-GZMMTYOYSA-N -1 3 281.264 0.158 20 10 CCCDHM CNC(=O)C1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928711996 616540697 /nfs/dbraw/zinc/54/06/97/616540697.db2.gz MSNOZELEYPZGHP-UHFFFAOYSA-N -1 3 266.272 0.674 20 10 CCCDHM CO[C@@H]1COC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000838356175 616819892 /nfs/dbraw/zinc/81/98/92/616819892.db2.gz AMXVBJJXCGTYPB-WCBMZHEXSA-N -1 3 253.254 0.241 20 10 CCCDHM CC(C)(CN1CCOCC1)NC(=O)c1cccc(O)c1[O-] ZINC000308694745 624944346 /nfs/dbraw/zinc/94/43/46/624944346.db2.gz IMKONOWHQDUERA-UHFFFAOYSA-N -1 3 294.351 0.938 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC(=O)N2CCC[C@H]21 ZINC000888168848 632974536 /nfs/dbraw/zinc/97/45/36/632974536.db2.gz VMMWFBNZDXDKDD-LLVKDONJSA-N -1 3 276.292 0.892 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(N2CCOCC2)C1 ZINC000911636200 636324795 /nfs/dbraw/zinc/32/47/95/636324795.db2.gz DDJRTCOJBXGGQE-UHFFFAOYSA-N -1 3 278.308 0.254 20 10 CCCDHM O=C(NC[C@H]1CCCNC1=O)c1cccc(O)c1[O-] ZINC000839670183 640351326 /nfs/dbraw/zinc/35/13/26/640351326.db2.gz KOOZIIBYSZNGRY-MRVPVSSYSA-N -1 3 264.281 0.354 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN2C(=O)CC[C@@H]2C1 ZINC000126512357 646811477 /nfs/dbraw/zinc/81/14/77/646811477.db2.gz CMEMPBKKNCAUQY-SECBINFHSA-N -1 3 276.292 0.545 20 10 CCCDHM C[C@H](CC(N)=O)C(=O)NCc1c([O-])cccc1F ZINC000928709050 648659022 /nfs/dbraw/zinc/65/90/22/648659022.db2.gz WUUZRCNFXFXRKJ-SSDOTTSWSA-N -1 3 254.261 0.659 20 10 CCCDHM O=C(NCc1csc(=O)[nH]1)c1cccc(O)c1[O-] ZINC000189512613 649377903 /nfs/dbraw/zinc/37/79/03/649377903.db2.gz ZPJFSCKHQHSUGK-UHFFFAOYSA-N -1 3 266.278 0.778 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](CO)[C@H](O)C1 ZINC001233332562 806042595 /nfs/dbraw/zinc/04/25/95/806042595.db2.gz PEXDNZZGONAWQJ-PRHODGIISA-N -1 3 273.279 0.846 20 10 CCCDHM O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(O)c1[O-] ZINC000724564241 791593544 /nfs/dbraw/zinc/59/35/44/791593544.db2.gz RORZPOXLGRVIFC-LNLATYFQSA-N -1 3 279.292 0.632 20 10 CCCDHM CC1(C)CN(Cc2c([O-])cccc2F)CCN1CC(N)=O ZINC001137839015 799690322 /nfs/dbraw/zinc/69/03/22/799690322.db2.gz OAEKNXVNSMDFLL-UHFFFAOYSA-N -1 3 295.358 0.913 20 10 CCCDHM NC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140466103 799909985 /nfs/dbraw/zinc/90/99/85/799909985.db2.gz XDAJKGGOFYMADV-NSHDSACASA-N -1 3 270.716 0.732 20 10 CCCDHM CS(=O)(=O)CCCCNC(=O)c1cccc(O)c1[O-] ZINC000692803846 811928195 /nfs/dbraw/zinc/92/81/95/811928195.db2.gz QZADOSKQACSECT-UHFFFAOYSA-N -1 3 287.337 0.652 20 10 CCCDHM CN(C)C(=O)[C@H]1CC12CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001269560941 813421909 /nfs/dbraw/zinc/42/19/09/813421909.db2.gz CXESURJQQZNWPM-SNVBAGLBSA-N -1 3 290.319 0.648 20 10 CCCDHM CN(Cc1cn(C)nn1)C(=O)c1cccc(O)c1[O-] ZINC000690280654 817254146 /nfs/dbraw/zinc/25/41/46/817254146.db2.gz ILRQENFOCAOOGH-UHFFFAOYSA-N -1 3 262.269 0.499 20 10 CCCDHM NC(=O)c1nccnc1NC(=O)c1cccc(O)c1[O-] ZINC001148211948 840762277 /nfs/dbraw/zinc/76/22/77/840762277.db2.gz DSAQVQWNBUBGCO-UHFFFAOYSA-N -1 3 274.236 0.239 20 10 CCCDHM C=CC(=O)NCCNC(=O)c1cccc(O)c1[O-] ZINC001148220153 840765572 /nfs/dbraw/zinc/76/55/72/840765572.db2.gz UBNPGFQGRSAGHM-UHFFFAOYSA-N -1 3 250.254 0.130 20 10 CCCDHM O=C(N[C@H]1CCC[C@H]1CO)c1cc(O)c([O-])c(O)c1 ZINC001148591231 840857359 /nfs/dbraw/zinc/85/73/59/840857359.db2.gz VPFVCYASISCXAD-CBAPKCEASA-N -1 3 267.281 0.694 20 10 CCCDHM C[C@H](NC(N)=O)C(=O)NCc1c([O-])cccc1F ZINC001178413041 842842438 /nfs/dbraw/zinc/84/24/38/842842438.db2.gz LJKCBBVOQQQTLY-LURJTMIESA-N -1 3 255.249 0.204 20 10 CCCDHM CCOC[C@@H](O)CNCC(=O)c1ccc([O-])c(O)c1 ZINC001252048596 847712834 /nfs/dbraw/zinc/71/28/34/847712834.db2.gz WHDKQFIVFWUMPR-JTQLQIEISA-N -1 3 269.297 0.268 20 10 CCCDHM O=C(CO[C@@H]1CCOC1)NCc1c([O-])cccc1F ZINC001334373753 919532909 /nfs/dbraw/zinc/53/29/09/919532909.db2.gz HRUBFODREDETJF-SECBINFHSA-N -1 3 269.272 0.953 20 10 CCCDHM CCNC(=O)CNC(=O)NCc1c([O-])cccc1F ZINC001341415879 922474147 /nfs/dbraw/zinc/47/41/47/922474147.db2.gz TZCVTZJZAPBANR-UHFFFAOYSA-N -1 3 269.276 0.467 20 10 CCCDHM CCCNC(=O)CNC(=O)NCc1c([O-])cccc1F ZINC001356381699 926377070 /nfs/dbraw/zinc/37/70/70/926377070.db2.gz GRBPEBHBBAORBT-UHFFFAOYSA-N -1 3 283.303 0.857 20 10 CCCDHM COc1cccc([O-])c1C[NH2+]C[C@](C)(O)C(=O)[O-] ZINC001611066643 970875229 /nfs/dbraw/zinc/87/52/29/970875229.db2.gz LFITVGFKWJPXKT-LBPRGKRZSA-N -1 3 255.270 0.326 20 10 CCCDHM C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCC(=O)[O-] ZINC001593198299 994170566 /nfs/dbraw/zinc/17/05/66/994170566.db2.gz PXLYZIFHSUBISG-QWRGUYRKSA-N -1 3 293.367 0.993 20 10 CCCDHM COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc2c(cc1[O-])OCO2 ZINC000211921567 351929567 /nfs/dbraw/zinc/92/95/67/351929567.db2.gz YBZXFNBQGQHGQD-NXEZZACHSA-N -1 3 295.291 0.229 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)[C@H](O)C2)c1[O-] ZINC000232594976 352146439 /nfs/dbraw/zinc/14/64/39/352146439.db2.gz PKLNPDNEOXEHEC-VXGBXAGGSA-N -1 3 269.272 0.271 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CCN(C(N)=O)C2)c([O-])c1O ZINC000271304188 353033125 /nfs/dbraw/zinc/03/31/25/353033125.db2.gz TXAWWIFTOMFQGX-QMMMGPOBSA-N -1 3 279.296 0.289 20 10 CCCDHM CCNC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272647625 353082200 /nfs/dbraw/zinc/08/22/00/353082200.db2.gz JMCMOCRFKOMIKX-MRVPVSSYSA-N -1 3 266.297 0.661 20 10 CCCDHM Cc1ccc(C(=O)N(C)[C@@H]2COC[C@H]2O)c([O-])c1O ZINC000287414404 353645110 /nfs/dbraw/zinc/64/51/10/353645110.db2.gz SYUYNSPSSHYBBT-NXEZZACHSA-N -1 3 267.281 0.238 20 10 CCCDHM CCOC(=O)COCCNC(=O)c1cccc(O)c1[O-] ZINC000295827843 353920885 /nfs/dbraw/zinc/92/08/85/353920885.db2.gz YTFMBHUWQRNBLH-UHFFFAOYSA-N -1 3 283.280 0.407 20 10 CCCDHM C[C@H]1OCC[C@@]1(O)CNC(=O)c1cccc(O)c1[O-] ZINC000228706109 389154795 /nfs/dbraw/zinc/15/47/95/389154795.db2.gz ARHLIJSERUTZIK-AMIZOPFISA-N -1 3 267.281 0.368 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](C(N)=O)C2)c1[O-] ZINC000175613419 389544828 /nfs/dbraw/zinc/54/48/28/389544828.db2.gz XJRDPRKTATUDNH-LBPRGKRZSA-N -1 3 296.298 0.420 20 10 CCCDHM COc1c([O-])c(CN[C@@H](C)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278329770 294904492 /nfs/dbraw/zinc/90/44/92/294904492.db2.gz HCHSBAOWAPMEAC-QMMMGPOBSA-N -1 3 297.311 0.875 20 10 CCCDHM COC(=O)C1(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000275109237 522852993 /nfs/dbraw/zinc/85/29/93/522852993.db2.gz JZKIILYVPNEIRV-UHFFFAOYSA-N -1 3 251.238 0.533 20 10 CCCDHM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000275565292 523810966 /nfs/dbraw/zinc/81/09/66/523810966.db2.gz NABCQJTXKCQPCT-KOLCDFICSA-N -1 3 295.291 0.236 20 10 CCCDHM Cc1ccc(C(=O)N2CCNC(=O)C[C@@H]2C)c([O-])c1O ZINC000365015886 526117312 /nfs/dbraw/zinc/11/73/12/526117312.db2.gz RSPVGSYNFSNLKD-VIFPVBQESA-N -1 3 278.308 0.757 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](CO)C1 ZINC000126265871 526771865 /nfs/dbraw/zinc/77/18/65/526771865.db2.gz OPBSFIFJDWNYKR-SECBINFHSA-N -1 3 251.282 0.942 20 10 CCCDHM O=C(CNC(=O)c1cccc(O)c1[O-])OCC1CC1 ZINC000275010927 526862311 /nfs/dbraw/zinc/86/23/11/526862311.db2.gz WYZDCHMMDKAGRY-UHFFFAOYSA-N -1 3 265.265 0.781 20 10 CCCDHM Cc1cc(O)c(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1C ZINC000779433393 581185087 /nfs/dbraw/zinc/18/50/87/581185087.db2.gz YJPVLLIXUCXASB-LBPRGKRZSA-N -1 3 289.335 0.745 20 10 CCCDHM CC(C)N1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC1=O ZINC000790626731 581191904 /nfs/dbraw/zinc/19/19/04/581191904.db2.gz ACFCBAJIHOURIK-VIFPVBQESA-N -1 3 278.308 0.837 20 10 CCCDHM NC(=O)C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790840676 581200324 /nfs/dbraw/zinc/20/03/24/581200324.db2.gz UMTHYLOZTKRGNT-VIFPVBQESA-N -1 3 278.308 0.825 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN(C2CC2)C(=O)C1 ZINC000790858875 581200932 /nfs/dbraw/zinc/20/09/32/581200932.db2.gz JMRFFSTUBSCAFT-UHFFFAOYSA-N -1 3 276.292 0.545 20 10 CCCDHM O=C(NC[C@@]1(CCO)CCOC1)c1cccc(O)c1[O-] ZINC000790897612 581201580 /nfs/dbraw/zinc/20/15/80/581201580.db2.gz YHUAPEGWQXXBCO-CQSZACIVSA-N -1 3 281.308 0.617 20 10 CCCDHM COCCN1CCCN(C(=O)c2cc([O-])cs2)CC1=O ZINC000788013424 581308626 /nfs/dbraw/zinc/30/86/26/581308626.db2.gz SCMIWEGDEIREOS-UHFFFAOYSA-N -1 3 298.364 0.775 20 10 CCCDHM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cccc(O)c1[O-] ZINC000794215959 581356061 /nfs/dbraw/zinc/35/60/61/581356061.db2.gz YRKZTJKKFUKRFQ-CBAPKCEASA-N -1 3 283.255 0.823 20 10 CCCDHM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)N1CCC1 ZINC000795349270 581404713 /nfs/dbraw/zinc/40/47/13/581404713.db2.gz YIMIXDAXMXJCMV-UHFFFAOYSA-N -1 3 286.309 0.541 20 10 CCCDHM NS(=O)(=O)[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000785983969 581426054 /nfs/dbraw/zinc/42/60/54/581426054.db2.gz AHDVRYCLKTZGMT-SNVBAGLBSA-N -1 3 274.317 0.394 20 10 CCCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](CO)O1 ZINC000788007838 581484773 /nfs/dbraw/zinc/48/47/73/581484773.db2.gz IJPAPGJRSHZQST-IONNQARKSA-N -1 3 257.311 0.676 20 10 CCCDHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N(C)C ZINC000766047952 581548115 /nfs/dbraw/zinc/54/81/15/581548115.db2.gz OHUXFAVVQXRPJT-UHFFFAOYSA-N -1 3 258.299 0.813 20 10 CCCDHM CCOc1ccc(CN2CCO[C@@H](CO)C2)c([O-])c1 ZINC000769395510 581686980 /nfs/dbraw/zinc/68/69/80/581686980.db2.gz IKGZFKIWBLVABN-CYBMUJFWSA-N -1 3 267.325 0.984 20 10 CCCDHM COc1cccc([O-])c1CN(C)[C@H]1CCNC1=O ZINC000770379185 581741020 /nfs/dbraw/zinc/74/10/20/581741020.db2.gz IZAYLFMYDBLCLY-JTQLQIEISA-N -1 3 250.298 0.721 20 10 CCCDHM COCCCNC(=O)CN(C)C(=O)c1cc([O-])cs1 ZINC000731870971 581785625 /nfs/dbraw/zinc/78/56/25/581785625.db2.gz ARXYDHBODASWBI-UHFFFAOYSA-N -1 3 286.353 0.678 20 10 CCCDHM COC[C@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000743604754 581818745 /nfs/dbraw/zinc/81/87/45/581818745.db2.gz QJGPZINLPTWURJ-SECBINFHSA-N -1 3 257.311 0.941 20 10 CCCDHM Cc1ccc(O)c(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000761216029 581897331 /nfs/dbraw/zinc/89/73/31/581897331.db2.gz KTHRGQHHYAVOCA-LLVKDONJSA-N -1 3 275.308 0.437 20 10 CCCDHM CC(C)N1C(=O)C[C@H](NC(=O)c2cc([O-])cs2)C1=O ZINC000751394290 582078633 /nfs/dbraw/zinc/07/86/33/582078633.db2.gz CQDVFODCWLTIOL-QMMMGPOBSA-N -1 3 282.321 0.719 20 10 CCCDHM CN(Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCN(C)C1=O ZINC000768445889 582106670 /nfs/dbraw/zinc/10/66/70/582106670.db2.gz KDDYSUSTFKRWQX-DGCLKSJQSA-N -1 3 292.335 0.481 20 10 CCCDHM COC[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768448649 582106776 /nfs/dbraw/zinc/10/67/76/582106776.db2.gz VSLCCAMCOSHKDZ-RISCZKNCSA-N -1 3 295.335 0.665 20 10 CCCDHM C[C@H](C(=O)[O-])[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000819889050 598097529 /nfs/dbraw/zinc/09/75/29/598097529.db2.gz JTSZOETZAHVEQY-RDDDGLTNSA-N -1 3 267.281 0.723 20 10 CCCDHM C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000819889050 598097530 /nfs/dbraw/zinc/09/75/30/598097530.db2.gz JTSZOETZAHVEQY-RDDDGLTNSA-N -1 3 267.281 0.723 20 10 CCCDHM CC(=O)N1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000846169594 613453719 /nfs/dbraw/zinc/45/37/19/613453719.db2.gz IFRWJONJLCEPLC-JTQLQIEISA-N -1 3 278.308 0.696 20 10 CCCDHM CC(=O)NCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)[O-] ZINC000819780982 613737864 /nfs/dbraw/zinc/73/78/64/613737864.db2.gz ONOGWBCXMGCEOP-SNVBAGLBSA-N -1 3 280.324 0.803 20 10 CCCDHM CC(=O)NCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)[O-] ZINC000819780982 613737866 /nfs/dbraw/zinc/73/78/66/613737866.db2.gz ONOGWBCXMGCEOP-SNVBAGLBSA-N -1 3 280.324 0.803 20 10 CCCDHM CCN1CCO[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705637 615183358 /nfs/dbraw/zinc/18/33/58/615183358.db2.gz MKQOJIPYOVGIGN-ZDUSSCGKSA-N -1 3 282.315 0.868 20 10 CCCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CCNC1=O ZINC000894094713 616165045 /nfs/dbraw/zinc/16/50/45/616165045.db2.gz LWTXZBYLCYSMHX-SNVBAGLBSA-N -1 3 256.252 0.991 20 10 CCCDHM CN1CCO[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928706511 616259334 /nfs/dbraw/zinc/25/93/34/616259334.db2.gz VJHXWUWSTHXZBV-LBPRGKRZSA-N -1 3 268.288 0.478 20 10 CCCDHM CN1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928712718 616275225 /nfs/dbraw/zinc/27/52/25/616275225.db2.gz XLBHIZLXNMXCTR-QMMMGPOBSA-N -1 3 266.272 0.626 20 10 CCCDHM COC(=O)[C@@H]1CCN1C(=O)c1cccc(O)c1[O-] ZINC000888064676 616317681 /nfs/dbraw/zinc/31/76/81/616317681.db2.gz PASMLKYTEUBAAD-QMMMGPOBSA-N -1 3 251.238 0.485 20 10 CCCDHM CO[C@@H]1CCCN(NC(=O)c2cccc(O)c2[O-])C1 ZINC000928418784 616620552 /nfs/dbraw/zinc/62/05/52/616620552.db2.gz NBKLGOOZTXSHEW-SECBINFHSA-N -1 3 266.297 0.853 20 10 CCCDHM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000882369395 616796561 /nfs/dbraw/zinc/79/65/61/616796561.db2.gz OGZDSPRJHLCQKW-CMPLNLGQSA-N -1 3 281.308 0.974 20 10 CCCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)S(C)(=O)=O ZINC000928712641 632549707 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NC(=O)[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000846437474 643404449 /nfs/dbraw/zinc/40/44/49/643404449.db2.gz GRLMPTWZGOFPQP-KNVOCYPGSA-N -1 3 250.254 0.092 20 10 CCCDHM Cc1ccc(C(=O)NN2CCOC2=O)c([O-])c1O ZINC000862701810 645026026 /nfs/dbraw/zinc/02/60/26/645026026.db2.gz LUGPDADJKQMIBL-UHFFFAOYSA-N -1 3 252.226 0.503 20 10 CCCDHM [O-]c1c(CN2CC[C@H](O)[C@H](CO)C2)ccc(F)c1F ZINC000877592670 646826473 /nfs/dbraw/zinc/82/64/73/646826473.db2.gz RPARWFSQUMAPCX-ONGXEEELSA-N -1 3 273.279 0.846 20 10 CCCDHM NC(=O)C1=NO[C@H](CNCc2cc(F)cc(F)c2[O-])C1 ZINC000883104872 647489230 /nfs/dbraw/zinc/48/92/30/647489230.db2.gz PHNOUWJMFJDBHN-QMMMGPOBSA-N -1 3 285.250 0.390 20 10 CCCDHM CN1C(=O)C(=Cc2ccc([O-])c(F)c2)C(=O)N(C)C1=O ZINC000158623731 649308195 /nfs/dbraw/zinc/30/81/95/649308195.db2.gz GHZNUOPDOKCCSZ-UHFFFAOYSA-N -1 3 278.239 0.965 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001231447290 805804557 /nfs/dbraw/zinc/80/45/57/805804557.db2.gz RDETYGHYSFXMGF-RYUDHWBXSA-N -1 3 281.308 0.266 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001231447290 805804565 /nfs/dbraw/zinc/80/45/65/805804565.db2.gz RDETYGHYSFXMGF-RYUDHWBXSA-N -1 3 281.308 0.266 20 10 CCCDHM O=C1CN(Cc2cc(F)ccc2[O-])CC(=O)N1C1CC1 ZINC001140057606 799877448 /nfs/dbraw/zinc/87/74/48/799877448.db2.gz HSACPFAGUJXOHZ-UHFFFAOYSA-N -1 3 278.283 0.865 20 10 CCCDHM COCCCO[N-]C(=O)Cc1ccc(O)c(O)c1 ZINC001140172113 799885630 /nfs/dbraw/zinc/88/56/30/799885630.db2.gz FANQFZWICZBJBH-UHFFFAOYSA-N -1 3 255.270 0.725 20 10 CCCDHM CNC(=O)N[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001154805098 800849727 /nfs/dbraw/zinc/84/97/27/800849727.db2.gz YEWOIPATWJTCLS-VIFPVBQESA-N -1 3 293.323 0.631 20 10 CCCDHM C[C@@H]1C[C@H](O)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000401572434 803791097 /nfs/dbraw/zinc/79/10/97/803791097.db2.gz FXFJJOUOGKKVHJ-BDAKNGLRSA-N -1 3 251.282 0.941 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1CCOC[C@@H](O)C1 ZINC001142509128 815068772 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COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148589671 840856551 /nfs/dbraw/zinc/85/65/51/840856551.db2.gz GODOJSWRVYDJTD-APPZFPTMSA-N -1 3 295.291 0.875 20 10 CCCDHM COCC[C@H](COC)NC(=O)c1cccc(O)c1[O-] ZINC000382021143 850444911 /nfs/dbraw/zinc/44/49/11/850444911.db2.gz PIFZZILQANYQFF-SECBINFHSA-N -1 3 269.297 0.879 20 10 CCCDHM Cc1ccc(C(=O)Nc2nn(C)cc2C(N)=O)c([O-])c1O ZINC001320793724 910872230 /nfs/dbraw/zinc/87/22/30/910872230.db2.gz WLHFZIBKIOGPSC-UHFFFAOYSA-N -1 3 290.279 0.491 20 10 CCCDHM CN(C)c1cc(F)c(CNCC[C@H](O)C(=O)[O-])cc1F ZINC001353953602 925972921 /nfs/dbraw/zinc/97/29/21/925972921.db2.gz FBFGWEJYPSIZJP-LBPRGKRZSA-N -1 3 288.294 0.956 20 10 CCCDHM C[C@@H](N)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001599837918 988773854 /nfs/dbraw/zinc/77/38/54/988773854.db2.gz SNPMGJSMNCFKFK-SSDOTTSWSA-N -1 3 286.715 0.806 20 10 CCCDHM CN(CC1(CO)CC1)C(=O)c1cccc(O)c1[O-] ZINC000275890146 522597008 /nfs/dbraw/zinc/59/70/08/522597008.db2.gz QRLHFFXWBKWCJS-UHFFFAOYSA-N -1 3 251.282 0.942 20 10 CCCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]1CO ZINC000189444408 351680641 /nfs/dbraw/zinc/68/06/41/351680641.db2.gz YOQULAIYBMRLEZ-PSASIEDQSA-N -1 3 251.282 0.941 20 10 CCCDHM CC(C)(C(N)=O)N1CCN(Cc2ccccc2[O-])CC1 ZINC000271469584 353033200 /nfs/dbraw/zinc/03/32/00/353033200.db2.gz YTXNEELDFMGCHF-UHFFFAOYSA-N -1 3 277.368 0.774 20 10 CCCDHM CNC(=O)NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109770884 283351549 /nfs/dbraw/zinc/35/15/49/283351549.db2.gz VTBOPNRXFCQWLV-UHFFFAOYSA-N -1 3 251.286 0.280 20 10 CCCDHM CN(C)c1nc(N)nc(CN(C)Cc2ccccc2[O-])n1 ZINC000109773055 389099973 /nfs/dbraw/zinc/09/99/73/389099973.db2.gz SUTNHSNANZHFEU-UHFFFAOYSA-N -1 3 288.355 0.857 20 10 CCCDHM CNS(=O)(=O)CCNCc1c([O-])cccc1Cl ZINC000221005214 389140115 /nfs/dbraw/zinc/14/01/15/389140115.db2.gz UOPLVVUJQKSBBU-UHFFFAOYSA-N -1 3 278.761 0.684 20 10 CCCDHM CCOCCNC(=O)CN(C)Cc1ccccc1[O-] ZINC000175966392 389550566 /nfs/dbraw/zinc/55/05/66/389550566.db2.gz ZMLGYRIHEKEJIW-UHFFFAOYSA-N -1 3 266.341 0.977 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C[C@]1(CO)C[C@@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895323734 632055853 /nfs/dbraw/zinc/05/58/53/632055853.db2.gz GTZSDCJVIVOTOO-ZWNOBZJWSA-N -1 3 273.279 0.988 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)C1(O)CCOCC1 ZINC000928707781 632547525 /nfs/dbraw/zinc/54/75/25/632547525.db2.gz HYUXVXFCBANDED-UHFFFAOYSA-N -1 3 269.272 0.689 20 10 CCCDHM O=S(=O)(NCc1c([O-])cccc1F)[C@@H]1CCOC1 ZINC000921452155 638185068 /nfs/dbraw/zinc/18/50/68/638185068.db2.gz FYCVYPHDTMAOIZ-MRVPVSSYSA-N -1 3 275.301 0.740 20 10 CCCDHM CO[C@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@](C)(CO)C1 ZINC000870525895 646005935 /nfs/dbraw/zinc/00/59/35/646005935.db2.gz LSYWYCJZEHMYNZ-YMTOWFKASA-N -1 3 281.308 0.710 20 10 CCCDHM Cn1cc(CCC(=O)NCc2c([O-])cccc2F)nn1 ZINC000928711722 648659662 /nfs/dbraw/zinc/65/96/62/648659662.db2.gz OMWVQJDPGUDGBS-UHFFFAOYSA-N -1 3 278.287 0.909 20 10 CCCDHM Cc1ccc(C(=O)NOCC(C)(C)O)c([O-])c1O ZINC000834621774 799901088 /nfs/dbraw/zinc/90/10/88/799901088.db2.gz KUTJWRUEODPQPB-UHFFFAOYSA-N -1 3 255.270 0.839 20 10 CCCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C(N)=O)C1 ZINC001154942800 800876471 /nfs/dbraw/zinc/87/64/71/800876471.db2.gz PMSAQJVLPWRKDW-WCBMZHEXSA-N -1 3 278.308 0.824 20 10 CCCDHM CN(C)C(=O)[C@@H]1CC12CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001269560940 813422327 /nfs/dbraw/zinc/42/23/27/813422327.db2.gz CXESURJQQZNWPM-JTQLQIEISA-N -1 3 290.319 0.648 20 10 CCCDHM COC(=O)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1C ZINC001148218975 840767258 /nfs/dbraw/zinc/76/72/58/840767258.db2.gz PVHFXXYWLAYATF-SNVBAGLBSA-N -1 3 294.307 0.027 20 10 CCCDHM Cn1cnc(NC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148580473 840849044 /nfs/dbraw/zinc/84/90/44/840849044.db2.gz GLDGJAKORQYDJI-UHFFFAOYSA-N -1 3 250.214 0.184 20 10 CCCDHM O=C(Nc1noc2nccnc12)c1cc(O)c([O-])c(O)c1 ZINC001148581245 840850546 /nfs/dbraw/zinc/85/05/46/840850546.db2.gz PLTBOITYLKHVCR-UHFFFAOYSA-N -1 3 288.219 0.987 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001148583781 840851708 /nfs/dbraw/zinc/85/17/08/840851708.db2.gz AZVIZOFROYPEOV-DTORHVGOSA-N -1 3 293.275 0.376 20 10 CCCDHM C[C@H]1CC(=O)CCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583905 840851797 /nfs/dbraw/zinc/85/17/97/840851797.db2.gz GPZUJXGYDFDYSO-ZETCQYMHSA-N -1 3 265.265 0.997 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCc2[nH]cnc2C1 ZINC001148583304 840851851 /nfs/dbraw/zinc/85/18/51/840851851.db2.gz XGWZPTVXJQSHFI-UHFFFAOYSA-N -1 3 275.264 0.725 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCN(CCF)CC1 ZINC001148583789 840854152 /nfs/dbraw/zinc/85/41/52/840854152.db2.gz BINGLPSLVPRUBP-UHFFFAOYSA-N -1 3 284.287 0.531 20 10 CCCDHM COC(=O)[C@@H]1C[C@H]1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148591070 840855587 /nfs/dbraw/zinc/85/55/87/840855587.db2.gz SQXODNFCZVVSLR-JGVFFNPUSA-N -1 3 281.264 0.342 20 10 CCCDHM CC1(C)C(=O)NC[C@H]1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590171 840857102 /nfs/dbraw/zinc/85/71/02/840857102.db2.gz DCGYETISSRXCIY-SECBINFHSA-N -1 3 280.280 0.058 20 10 CCCDHM O=C(NC[C@@H]1CCOC1)c1cc(O)c([O-])c(O)c1 ZINC001148589613 840857229 /nfs/dbraw/zinc/85/72/29/840857229.db2.gz DRYONXBJCRMSGW-ZETCQYMHSA-N -1 3 253.254 0.570 20 10 CCCDHM C[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)N1CCCC1 ZINC001180583479 843217172 /nfs/dbraw/zinc/21/71/72/843217172.db2.gz ZNCBGZIEBVEFCR-JTQLQIEISA-N -1 3 292.335 0.881 20 10 CCCDHM O=C(NCc1nc[nH]n1)c1ccc(O)c([O-])c1Cl ZINC001193236683 846030375 /nfs/dbraw/zinc/03/03/75/846030375.db2.gz MVNHTMACCSWUBI-UHFFFAOYSA-N -1 3 268.660 0.799 20 10 CCCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])S(C)(=O)=O ZINC000697587806 855621101 /nfs/dbraw/zinc/62/11/01/855621101.db2.gz KRSUKUYXRGMZHJ-ZETCQYMHSA-N -1 3 273.310 0.261 20 10 CCCDHM NC(=O)COC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001320991042 910992968 /nfs/dbraw/zinc/99/29/68/910992968.db2.gz UCHWKUNTXMLESK-UHFFFAOYSA-N -1 3 294.307 0.204 20 10 CCCDHM NC(=O)N1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001334409666 919559705 /nfs/dbraw/zinc/55/97/05/919559705.db2.gz RXBHJDLPHRDZLV-MRVPVSSYSA-N -1 3 279.296 0.228 20 10 CCCDHM COc1cc([O-])c([C@@H]2NC(=O)CN2C)cc1OC 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COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000275565285 389511544 /nfs/dbraw/zinc/51/15/44/389511544.db2.gz NABCQJTXKCQPCT-GXSJLCMTSA-N -1 3 295.291 0.236 20 10 CCCDHM CS(=O)(=O)CC1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000279432284 389575814 /nfs/dbraw/zinc/57/58/14/389575814.db2.gz ZIXZKMVFHDCXTM-UHFFFAOYSA-N -1 3 299.348 0.652 20 10 CCCDHM O=C1N[C@@H](c2cc3c(cc2[O-])OCO3)N2CCSC[C@H]12 ZINC000270832357 304681119 /nfs/dbraw/zinc/68/11/19/304681119.db2.gz UMLVCHPWJSFBLA-PRHODGIISA-N -1 3 294.332 0.667 20 10 CCCDHM COC[C@@H](CO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000280073908 522304704 /nfs/dbraw/zinc/30/47/04/522304704.db2.gz RTVNQPSEJJOTFU-MRVPVSSYSA-N -1 3 255.270 0.143 20 10 CCCDHM CNC(=O)CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278873843 524074762 /nfs/dbraw/zinc/07/47/62/524074762.db2.gz NGBZPYFBCCEVLP-UHFFFAOYSA-N -1 3 269.257 0.145 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CC2)c1 ZINC000048923522 525220773 /nfs/dbraw/zinc/22/07/73/525220773.db2.gz UYXZURCSPWVPIM-UHFFFAOYSA-N -1 3 270.310 0.656 20 10 CCCDHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000790923643 581202335 /nfs/dbraw/zinc/20/23/35/581202335.db2.gz WLSRSUKFINKRON-MRVPVSSYSA-N -1 3 269.253 0.016 20 10 CCCDHM CCOC(=O)[C@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000790932375 581202784 /nfs/dbraw/zinc/20/27/84/581202784.db2.gz CWVAFKCSXLCQKR-CYBMUJFWSA-N -1 3 283.280 0.142 20 10 CCCDHM COC[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000780957596 581252571 /nfs/dbraw/zinc/25/25/71/581252571.db2.gz XKXFWQMANXQLDD-CYBMUJFWSA-N -1 3 269.297 0.533 20 10 CCCDHM Cc1ccc(C(=O)NC[C@]2(CCO)CCOC2)c([O-])c1O ZINC000780983881 581254184 /nfs/dbraw/zinc/25/41/84/581254184.db2.gz NRWJYBTXWBBFFT-HNNXBMFYSA-N -1 3 295.335 0.925 20 10 CCCDHM COCC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C(N)=O ZINC000781018593 581256496 /nfs/dbraw/zinc/25/64/96/581256496.db2.gz YVFFHTOFIQDHAB-VIFPVBQESA-N -1 3 282.296 0.026 20 10 CCCDHM CS(=O)(=O)C1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000795526857 581410702 /nfs/dbraw/zinc/41/07/02/581410702.db2.gz HECRCUREFYPJPY-UHFFFAOYSA-N -1 3 275.351 0.761 20 10 CCCDHM C[C@@]1(C(N)=O)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000796328097 581437043 /nfs/dbraw/zinc/43/70/43/581437043.db2.gz VSWOUIPCOUSOPC-LLVKDONJSA-N -1 3 254.311 0.791 20 10 CCCDHM C[C@H](NCC(=O)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000756490178 581668431 /nfs/dbraw/zinc/66/84/31/581668431.db2.gz MBBAVQIQYZOYGK-NSHDSACASA-N -1 3 295.358 0.956 20 10 CCCDHM NC(=O)c1cc(CNC(=O)c2cc([O-])cs2)on1 ZINC000769198237 581676574 /nfs/dbraw/zinc/67/65/74/581676574.db2.gz VUUOAQYCNUKVCA-UHFFFAOYSA-N -1 3 267.266 0.471 20 10 CCCDHM COc1cccc([O-])c1CN1CCN(C)C(=O)C1 ZINC000769445692 581689783 /nfs/dbraw/zinc/68/97/83/581689783.db2.gz IBNLKLRRFFLUMV-UHFFFAOYSA-N -1 3 250.298 0.675 20 10 CCCDHM Cn1cc([C@H](O)CNC(=O)c2cc([O-])cs2)cn1 ZINC000743643886 581820317 /nfs/dbraw/zinc/82/03/17/581820317.db2.gz BSVDJYWHQQIONC-SECBINFHSA-N -1 3 267.310 0.651 20 10 CCCDHM COc1c([O-])c(CN[C@H](C)C(N)=O)ccc1[N+](=O)[O-] ZINC000775200493 582013781 /nfs/dbraw/zinc/01/37/81/582013781.db2.gz QAVNMATYTWINJC-ZCFIWIBFSA-N -1 3 269.257 0.272 20 10 CCCDHM [O-]c1cc2c(cc1CN1CCOCC1)[C@@H](O)CO2 ZINC000768439048 582106612 /nfs/dbraw/zinc/10/66/12/582106612.db2.gz YVFYVUXEDZDMJV-LBPRGKRZSA-N -1 3 251.282 0.650 20 10 CCCDHM COC(=O)[C@@](C)(CO)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000852158168 616533856 /nfs/dbraw/zinc/53/38/56/616533856.db2.gz SFWLUITUEKHGJD-CQSZACIVSA-N -1 3 299.298 0.748 20 10 CCCDHM Cn1nncc1CNC(=O)NCc1c([O-])cccc1F ZINC000922495648 639709182 /nfs/dbraw/zinc/70/91/82/639709182.db2.gz BKWINEPXHUZTIN-UHFFFAOYSA-N -1 3 279.275 0.659 20 10 CCCDHM NC(=O)N1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000807813056 640836685 /nfs/dbraw/zinc/83/66/85/640836685.db2.gz CGZCAWHUBTWSEO-VIFPVBQESA-N -1 3 293.323 0.618 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN(C(=O)C2CC2)C1 ZINC000817672474 641268884 /nfs/dbraw/zinc/26/88/84/641268884.db2.gz SNWWHYOSMHSKGV-UHFFFAOYSA-N -1 3 276.292 0.750 20 10 CCCDHM C[C@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846241346 643392500 /nfs/dbraw/zinc/39/25/00/643392500.db2.gz HEQFUACBXIUNIK-QMMMGPOBSA-N -1 3 276.296 0.975 20 10 CCCDHM O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(O)c1[O-] ZINC000848365262 643628339 /nfs/dbraw/zinc/62/83/39/643628339.db2.gz WNZUNELQYMDQPW-SECBINFHSA-N -1 3 292.291 0.811 20 10 CCCDHM [O-]c1cccc(Br)c1CN1C[C@@H](O)[C@@H](O)C1 ZINC000862246660 644989233 /nfs/dbraw/zinc/98/92/33/644989233.db2.gz MLTAUNGMURRCQE-PHIMTYICSA-N -1 3 288.141 0.692 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(N2CCCC2=O)C1 ZINC000888754793 646887627 /nfs/dbraw/zinc/88/76/27/646887627.db2.gz UNSUHWLHKCLKQH-UHFFFAOYSA-N -1 3 276.292 0.545 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCC(=O)NC1 ZINC000928712324 648659595 /nfs/dbraw/zinc/65/95/95/648659595.db2.gz RGAHZJRACKBICU-MRVPVSSYSA-N -1 3 266.272 0.674 20 10 CCCDHM NC(=O)[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231449112 805803143 /nfs/dbraw/zinc/80/31/43/805803143.db2.gz VIPBOPIZXWDJCS-JTQLQIEISA-N -1 3 264.281 0.540 20 10 CCCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1 ZINC001231560372 805815745 /nfs/dbraw/zinc/81/57/45/805815745.db2.gz IELBBJPVLUHIIS-HNNXBMFYSA-N -1 3 290.319 0.802 20 10 CCCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c1 ZINC001231560372 805815754 /nfs/dbraw/zinc/81/57/54/805815754.db2.gz IELBBJPVLUHIIS-HNNXBMFYSA-N -1 3 290.319 0.802 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](CO)[C@@H](O)C1 ZINC001233332561 806042808 /nfs/dbraw/zinc/04/28/08/806042808.db2.gz PEXDNZZGONAWQJ-PELKAZGASA-N -1 3 273.279 0.846 20 10 CCCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H](O)[C@@H](CO)C1 ZINC001139685658 799829785 /nfs/dbraw/zinc/82/97/85/799829785.db2.gz RWNRXBSUSLOKKM-PELKAZGASA-N -1 3 273.279 0.846 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)C1=C2CCCN=C2NN1 ZINC001156178050 801121577 /nfs/dbraw/zinc/12/15/77/801121577.db2.gz UAVQGCMMCSNPTG-UHFFFAOYSA-N -1 3 290.298 0.702 20 10 CCCDHM CN(C)C(=O)C12CC(NC(=O)c3cccc(O)c3[O-])(C1)C2 ZINC001269561827 813420989 /nfs/dbraw/zinc/42/09/89/813420989.db2.gz WCTLNWSEZNIPID-UHFFFAOYSA-N -1 3 290.319 0.839 20 10 CCCDHM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581799 840850137 /nfs/dbraw/zinc/85/01/37/840850137.db2.gz AWUNVPZBZFHCBW-DTWKUNHWSA-N -1 3 280.324 0.968 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCCC12COC2 ZINC001148584347 840854435 /nfs/dbraw/zinc/85/44/35/840854435.db2.gz SQBPRSCELQRBIV-UHFFFAOYSA-N -1 3 265.265 0.808 20 10 CCCDHM C[C@](O)(CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000386702991 853948472 /nfs/dbraw/zinc/94/84/72/853948472.db2.gz QZLIGLTXGMYFNV-ZDUSSCGKSA-N -1 3 251.282 0.989 20 10 CCCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])S(C)(=O)=O ZINC000697587804 855620842 /nfs/dbraw/zinc/62/08/42/855620842.db2.gz KRSUKUYXRGMZHJ-SSDOTTSWSA-N -1 3 273.310 0.261 20 10 CCCDHM C[C@@H](O)C[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC001447512155 930647226 /nfs/dbraw/zinc/64/72/26/930647226.db2.gz YSKXVYYXDXCUDP-NXEZZACHSA-N -1 3 281.308 0.710 20 10 CCCDHM COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(F)ccc1[O-] ZINC000188611355 351611352 /nfs/dbraw/zinc/61/13/52/351611352.db2.gz HZWJSEMRARRVPL-QWRGUYRKSA-N -1 3 269.272 0.640 20 10 CCCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])N1CCOCC1 ZINC000192869173 351802351 /nfs/dbraw/zinc/80/23/51/351802351.db2.gz CMUPLDWKUDMMCD-UHFFFAOYSA-N -1 3 294.351 0.938 20 10 CCCDHM CNC(=O)[C@H](C)CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272720884 353088423 /nfs/dbraw/zinc/08/84/23/353088423.db2.gz HEDZZFVCSLOILP-SECBINFHSA-N -1 3 280.324 0.860 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H](O)c2cnn(C)c2)c([O-])c1O ZINC000272764992 353092105 /nfs/dbraw/zinc/09/21/05/353092105.db2.gz QXFXQTWEXFVJRU-NSHDSACASA-N -1 3 291.307 0.603 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H](O)c2cnn(C)c2)c([O-])c1O ZINC000272764991 353092265 /nfs/dbraw/zinc/09/22/65/353092265.db2.gz QXFXQTWEXFVJRU-LLVKDONJSA-N -1 3 291.307 0.603 20 10 CCCDHM CC[C@@H](CO)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000185874758 388816337 /nfs/dbraw/zinc/81/63/37/388816337.db2.gz HUSXFNNHTPHTSI-NSHDSACASA-N -1 3 294.351 0.627 20 10 CCCDHM CS(=O)(=O)N[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000180176146 389667544 /nfs/dbraw/zinc/66/75/44/389667544.db2.gz ZXRMWUZBUZTETI-NSHDSACASA-N -1 3 288.344 0.655 20 10 CCCDHM COCCN(Cc1cccc(F)c1[O-])[C@H](C)C(N)=O ZINC000272277450 328199327 /nfs/dbraw/zinc/19/93/27/328199327.db2.gz MFUHFCPRRAUKCN-SECBINFHSA-N -1 3 270.304 0.854 20 10 CCCDHM COC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280863208 522686646 /nfs/dbraw/zinc/68/66/46/522686646.db2.gz CKBRJQFFKOOTFR-IUCAKERBSA-N -1 3 270.285 0.958 20 10 CCCDHM NC(=O)C1=NO[C@@H](CNCc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000276525357 526854191 /nfs/dbraw/zinc/85/41/91/526854191.db2.gz VWUWLHTVPZNLLZ-SECBINFHSA-N -1 3 294.267 0.020 20 10 CCCDHM CSC[C@H](CCO)NC(=O)c1cccc(O)c1[O-] ZINC000790905967 581201969 /nfs/dbraw/zinc/20/19/69/581201969.db2.gz RMRUSNIEEJATLB-QMMMGPOBSA-N -1 3 271.338 0.942 20 10 CCCDHM CCN1OC[C@H](N(C)Cc2ccccc2[O-])C1=O ZINC000788494310 581113883 /nfs/dbraw/zinc/11/38/83/581113883.db2.gz MXSUPULMYWNEDR-NSHDSACASA-N -1 3 250.298 0.986 20 10 CCCDHM CN(C)C(=O)COC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790860047 581200958 /nfs/dbraw/zinc/20/09/58/581200958.db2.gz KSWNDWDTSNPJHF-UHFFFAOYSA-N -1 3 294.307 0.027 20 10 CCCDHM Cc1ccc(C(=O)NCC[S@@](C)=O)c([O-])c1O ZINC000780933569 581250535 /nfs/dbraw/zinc/25/05/35/581250535.db2.gz OGOWJSZXWABZME-QGZVFWFLSA-N -1 3 257.311 0.515 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](CO)O1 ZINC000788007841 581484757 /nfs/dbraw/zinc/48/47/57/581484757.db2.gz IJPAPGJRSHZQST-VXNVDRBHSA-N -1 3 257.311 0.676 20 10 CCCDHM COCCN(Cc1c([O-])cccc1OC)[C@@H](C)C(N)=O ZINC000769336770 581684930 /nfs/dbraw/zinc/68/49/30/581684930.db2.gz AQSHVIHRWNERNR-JTQLQIEISA-N -1 3 282.340 0.723 20 10 CCCDHM CCN1CCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1=O ZINC000758276077 581733684 /nfs/dbraw/zinc/73/36/84/581733684.db2.gz JWEZWFGBQFEZIZ-ZDUSSCGKSA-N -1 3 292.335 0.482 20 10 CCCDHM O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc([O-])cs1 ZINC000731868010 581787408 /nfs/dbraw/zinc/78/74/08/581787408.db2.gz HUENGRNNTCXHFE-ZCFIWIBFSA-N -1 3 261.324 0.371 20 10 CCCDHM CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000731912016 581790370 /nfs/dbraw/zinc/79/03/70/581790370.db2.gz PMHCQSYPHQFSHR-ZCFIWIBFSA-N -1 3 286.309 0.845 20 10 CCCDHM CN1CCN(C)[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732302604 581815704 /nfs/dbraw/zinc/81/57/04/581815704.db2.gz RQTRRGYOTNFQBG-VIFPVBQESA-N -1 3 269.370 0.429 20 10 CCCDHM COc1cccc(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1O ZINC000761214596 581896583 /nfs/dbraw/zinc/89/65/83/581896583.db2.gz CERMUYLSZPTDNV-SNVBAGLBSA-N -1 3 291.307 0.137 20 10 CCCDHM C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc([O-])cs1 ZINC000764716407 582064162 /nfs/dbraw/zinc/06/41/62/582064162.db2.gz WPTKWIXSGMWXSN-APPZFPTMSA-N -1 3 257.311 0.676 20 10 CCCDHM COC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000768448651 582106751 /nfs/dbraw/zinc/10/67/51/582106751.db2.gz VSLCCAMCOSHKDZ-SMDDNHRTSA-N -1 3 295.335 0.665 20 10 CCCDHM CC(C)(C(=O)NCc1c([O-])cccc1F)S(C)(=O)=O ZINC000928705572 614298724 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ZINC000920462536 638139578 /nfs/dbraw/zinc/13/95/78/638139578.db2.gz CXEKGLPSZUIZFR-QMMMGPOBSA-N -1 3 284.337 0.998 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000922442055 639696115 /nfs/dbraw/zinc/69/61/15/639696115.db2.gz DNQWTIDRKPZLBT-CABZTGNLSA-N -1 3 290.319 0.839 20 10 CCCDHM O=C(N[C@H]1CCCCNC1=O)c1cccc(O)c1[O-] ZINC000187221254 640209809 /nfs/dbraw/zinc/20/98/09/640209809.db2.gz GXHXWFGKKPGOMM-VIFPVBQESA-N -1 3 264.281 0.496 20 10 CCCDHM O=C1NCC[C@@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850343213 643797807 /nfs/dbraw/zinc/79/78/07/643797807.db2.gz LMOPIVMOLSLIAE-QMMMGPOBSA-N -1 3 285.687 0.932 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863757532 645125143 /nfs/dbraw/zinc/12/51/43/645125143.db2.gz KOOAIGBTJVOHNY-VXNVDRBHSA-N -1 3 263.249 0.343 20 10 CCCDHM NC(=O)C1=NO[C@@H]2CN(Cc3c([O-])cccc3F)C[C@H]12 ZINC001277484023 805723995 /nfs/dbraw/zinc/72/39/95/805723995.db2.gz HGOKIYKRWGWCIR-GZMMTYOYSA-N -1 3 279.271 0.203 20 10 CCCDHM O=C1COC[C@H]2CN(Cc3cccc(F)c3[O-])CCN12 ZINC001138129703 799702711 /nfs/dbraw/zinc/70/27/11/799702711.db2.gz RXDSKYAHOAGJDH-LLVKDONJSA-N -1 3 280.299 0.574 20 10 CCCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C(N)=O)C1 ZINC001154942801 800876175 /nfs/dbraw/zinc/87/61/75/800876175.db2.gz PMSAQJVLPWRKDW-WPRPVWTQSA-N -1 3 278.308 0.824 20 10 CCCDHM NC(=O)[C@]12CCC[C@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001157463786 801392752 /nfs/dbraw/zinc/39/27/52/801392752.db2.gz WUJOCTGCTPIQQY-VFZGTOFNSA-N -1 3 290.319 0.825 20 10 CCCDHM COC(=O)/C=C\[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001159782647 801868305 /nfs/dbraw/zinc/86/83/05/801868305.db2.gz HRPSOFSFSMFVPA-UAPHAKCISA-N -1 3 265.265 0.945 20 10 CCCDHM COC(=O)/C=C/[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001159782642 801868939 /nfs/dbraw/zinc/86/89/39/801868939.db2.gz HRPSOFSFSMFVPA-CZEYKFRCSA-N -1 3 265.265 0.945 20 10 CCCDHM O=C(CN1C(=O)CSC1=S)NCc1ncccc1[O-] ZINC001144848057 840158689 /nfs/dbraw/zinc/15/86/89/840158689.db2.gz AKRSBLZRFJJRNK-UHFFFAOYSA-N -1 3 297.361 0.264 20 10 CCCDHM CCOC(=O)CC(=N)NC(=O)c1cccc(O)c1[O-] ZINC001148219863 840766988 /nfs/dbraw/zinc/76/69/88/840766988.db2.gz COCXUASQGDDLQH-UHFFFAOYSA-N -1 3 266.253 0.758 20 10 CCCDHM COc1ccnc(C(=N)NC(=O)c2cccc(O)c2[O-])n1 ZINC001148220097 840767213 /nfs/dbraw/zinc/76/72/13/840767213.db2.gz QGSYJWWCMOVUMS-UHFFFAOYSA-N -1 3 288.263 0.652 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@@H](F)C[C@H](CO)C1 ZINC001148582492 840848513 /nfs/dbraw/zinc/84/85/13/840848513.db2.gz IQIHQLHVIZFCQB-CBAPKCEASA-N -1 3 285.271 0.596 20 10 CCCDHM C[C@@]1(CO)CN(C(=O)c2cc(O)c([O-])c(O)c2)CC[C@H]1O ZINC001148583291 840852119 /nfs/dbraw/zinc/85/21/19/840852119.db2.gz XCHOQLWJBZJAPC-RISCZKNCSA-N -1 3 297.307 0.009 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N(CCO)CC(F)(F)F ZINC001148587048 840853515 /nfs/dbraw/zinc/85/35/15/840853515.db2.gz BKUFPEGZODXOIR-UHFFFAOYSA-N -1 3 295.213 0.800 20 10 CCCDHM O=C(NCC1CC(=O)C1)c1cc(O)c([O-])c(O)c1 ZINC001148589633 840857329 /nfs/dbraw/zinc/85/73/29/840857329.db2.gz FMBVBAADOCCSJB-UHFFFAOYSA-N -1 3 251.238 0.512 20 10 CCCDHM C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cccc(O)c1[O-] ZINC000688601576 849184593 /nfs/dbraw/zinc/18/45/93/849184593.db2.gz YZAQFZGWDQEYCB-MRVPVSSYSA-N -1 3 287.337 0.603 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1c1ncon1 ZINC001295078217 906672075 /nfs/dbraw/zinc/67/20/75/906672075.db2.gz NEKQUNAXTDRJBY-VIFPVBQESA-N -1 3 291.263 0.695 20 10 CCCDHM Cn1cnnc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001309878077 908478128 /nfs/dbraw/zinc/47/81/28/908478128.db2.gz BJIZNYCFBZVXGM-UHFFFAOYSA-N -1 3 286.288 0.138 20 10 CCCDHM O=C([O-])c1cnn2c1[nH]c(CN1CCCC1)cc2=O ZINC001328730571 915391566 /nfs/dbraw/zinc/39/15/66/915391566.db2.gz OJQGAVDJWMLLSV-UHFFFAOYSA-N -1 3 262.269 0.729 20 10 CCCDHM CN(C)c1cc(F)c(CN[C@H](CCO)C(=O)[O-])cc1F ZINC001332032426 917812311 /nfs/dbraw/zinc/81/23/11/917812311.db2.gz KBQVYQNOYHIZIC-LLVKDONJSA-N -1 3 288.294 0.956 20 10 CCCDHM O=C(NCc1nncn1C1CC1)c1cccc(O)c1[O-] ZINC000187077166 351529119 /nfs/dbraw/zinc/52/91/19/351529119.db2.gz LRJUFZRCDXWEIP-UHFFFAOYSA-N -1 3 274.280 0.954 20 10 CCCDHM [O-]c1c(Cl)cccc1CN1C[C@@H](O)C[C@H]1CO ZINC000187664012 351551169 /nfs/dbraw/zinc/55/11/69/351551169.db2.gz UTDGTWWPCKGIQF-UWVGGRQHSA-N -1 3 257.717 0.973 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2C(=O)NCC[C@@H]2C)c([O-])c1O ZINC000195164689 389117417 /nfs/dbraw/zinc/11/74/17/389117417.db2.gz BLXIVGGZSNIJNP-OIBJUYFYSA-N -1 3 278.308 0.661 20 10 CCCDHM C[C@@H](O)CN1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000281596845 389620718 /nfs/dbraw/zinc/62/07/18/389620718.db2.gz NPOJTTJSVRLBQB-GHMZBOCLSA-N -1 3 294.351 0.625 20 10 CCCDHM COCC[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000281843604 389627170 /nfs/dbraw/zinc/62/71/70/389627170.db2.gz YSBKOVODGGOGHB-MRVPVSSYSA-N -1 3 255.270 0.225 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](C)C(=O)N(C)C)c([O-])c1O ZINC000182438459 389708338 /nfs/dbraw/zinc/70/83/38/389708338.db2.gz ZMXCGYNMBLTTJO-QMMMGPOBSA-N -1 3 266.297 0.613 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C)C[S@](C)=O)c([O-])c1O ZINC000181699985 389691506 /nfs/dbraw/zinc/69/15/06/389691506.db2.gz ZWHNLQPUPAHCTP-CVJBHZAOSA-N -1 3 271.338 0.903 20 10 CCCDHM Cc1ccc(C(=O)N(CC(N)=O)C(C)C)c([O-])c1O ZINC000181776178 389693891 /nfs/dbraw/zinc/69/38/91/389693891.db2.gz KXMMURYPVNKQTF-UHFFFAOYSA-N -1 3 266.297 0.742 20 10 CCCDHM CCn1nncc1CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000529561129 390842351 /nfs/dbraw/zinc/84/23/51/390842351.db2.gz HYBMVBJKIJPKFX-UHFFFAOYSA-N -1 3 276.296 0.948 20 10 CCCDHM CN1CCO[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126470502 260353286 /nfs/dbraw/zinc/35/32/86/260353286.db2.gz GJKQDAZJIVKMMO-VIFPVBQESA-N -1 3 266.297 0.158 20 10 CCCDHM COc1c([O-])c(CN[C@@H]2CC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000278566708 263049161 /nfs/dbraw/zinc/04/91/61/263049161.db2.gz BYYSMAWBBBTFAF-SECBINFHSA-N -1 3 295.295 0.629 20 10 CCCDHM O=C(NCCCN1CCOC1=O)c1cccc(O)c1[O-] ZINC000280753558 263064195 /nfs/dbraw/zinc/06/41/95/263064195.db2.gz XLRVYSINPJUGAX-UHFFFAOYSA-N -1 3 280.280 0.670 20 10 CCCDHM COc1ccc([O-])c([C@@H]2NC(=O)[C@H]3CSCCN23)c1 ZINC000270830753 295167374 /nfs/dbraw/zinc/16/73/74/295167374.db2.gz UFCNTPOLCWGMNT-ZYHUDNBSSA-N -1 3 280.349 0.947 20 10 CCCDHM CCNC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000279332007 521740572 /nfs/dbraw/zinc/74/05/72/521740572.db2.gz QHAQPKFKCTVVJA-VIFPVBQESA-N -1 3 293.323 0.631 20 10 CCCDHM COC(=O)[C@@H](NCc1cc2c(cc1[O-])OCO2)[C@H](C)O ZINC000276436376 523633198 /nfs/dbraw/zinc/63/31/98/523633198.db2.gz IEEUPGOOZPKBOL-MADCSZMMSA-N -1 3 283.280 0.133 20 10 CCCDHM Cc1ccc(C(=O)NCC2(CO)CCOCC2)c([O-])c1O ZINC000272717460 526157925 /nfs/dbraw/zinc/15/79/25/526157925.db2.gz GFOVRNOZYRYTFN-UHFFFAOYSA-N -1 3 295.335 0.925 20 10 CCCDHM CCc1nncn1CCNC(=O)c1cccc(O)c1[O-] ZINC000790768434 581197651 /nfs/dbraw/zinc/19/76/51/581197651.db2.gz WZHPGVAPWGAKJI-UHFFFAOYSA-N -1 3 276.296 0.682 20 10 CCCDHM Cn1cc([C@H](CO)NC(=O)c2cccc(O)c2[O-])cn1 ZINC000790915458 581202270 /nfs/dbraw/zinc/20/22/70/581202270.db2.gz ATSQHGCOXVPVBJ-JTQLQIEISA-N -1 3 277.280 0.295 20 10 CCCDHM Cc1ccc(C(=O)N2CCN(C3CC3)C(=O)C2)c([O-])c1O ZINC000780958702 581252593 /nfs/dbraw/zinc/25/25/93/581252593.db2.gz JFIMHURHJHJKLB-UHFFFAOYSA-N -1 3 290.319 0.853 20 10 CCCDHM COCCCN(CCO)C(=O)c1cc([O-])cs1 ZINC000783932165 581367736 /nfs/dbraw/zinc/36/77/36/581367736.db2.gz HINVORQRRORWDA-UHFFFAOYSA-N -1 3 259.327 0.925 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCN2C(=O)NC[C@H]2C1 ZINC000752820069 581556746 /nfs/dbraw/zinc/55/67/46/581556746.db2.gz SIGNMUZABFSIDP-ZETCQYMHSA-N -1 3 267.310 0.303 20 10 CCCDHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000732258249 581815333 /nfs/dbraw/zinc/81/53/33/581815333.db2.gz OTWDGQDMRHIRCE-SSDOTTSWSA-N -1 3 275.351 0.713 20 10 CCCDHM NC(=O)Cn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000776337662 582069944 /nfs/dbraw/zinc/06/99/44/582069944.db2.gz YTMXSXRNJNPLJC-UHFFFAOYSA-N -1 3 276.252 0.032 20 10 CCCDHM CS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000800632362 617180154 /nfs/dbraw/zinc/18/01/54/617180154.db2.gz VXQPOQXFSAOFAL-MRVPVSSYSA-N -1 3 285.321 0.357 20 10 CCCDHM CC(C)S(=O)(=O)CC(=O)NCc1c([O-])cccc1F ZINC000928711899 614060209 /nfs/dbraw/zinc/06/02/09/614060209.db2.gz LQIDXSHXBOJTRZ-UHFFFAOYSA-N -1 3 289.328 0.971 20 10 CCCDHM CC(C)NC(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126531132 613934733 /nfs/dbraw/zinc/93/47/33/613934733.db2.gz PNKZSIWELCEKNE-QMMMGPOBSA-N -1 3 266.297 0.741 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@@H](O)C2)c1[O-] ZINC000879612050 614249325 /nfs/dbraw/zinc/24/93/25/614249325.db2.gz PYUDGUCDXKZYHM-OLZOCXBDSA-N -1 3 283.299 0.661 20 10 CCCDHM CC[C@@](COC)(NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000837256024 615592538 /nfs/dbraw/zinc/59/25/38/615592538.db2.gz KTTKHKCDIBXEFT-AWEZNQCLSA-N -1 3 297.307 0.796 20 10 CCCDHM COC(=O)C1(C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000819760392 616355302 /nfs/dbraw/zinc/35/53/02/616355302.db2.gz LMBBDZMRLDSBEW-UHFFFAOYSA-N -1 3 265.265 0.733 20 10 CCCDHM COC[C@H]1C(=O)N[C@H](c2cc(F)ccc2[O-])N1C 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O=C([O-])c1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001231447961 805803728 /nfs/dbraw/zinc/80/37/28/805803728.db2.gz ZBWGNEGUIYWGAH-DGCLKSJQSA-N -1 3 281.308 0.266 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001231447961 805803740 /nfs/dbraw/zinc/80/37/40/805803740.db2.gz ZBWGNEGUIYWGAH-DGCLKSJQSA-N -1 3 281.308 0.266 20 10 CCCDHM [O-]c1cc(O)c(CN2CCOC[C@@H](O)C2)cc1Cl ZINC001232260439 805915012 /nfs/dbraw/zinc/91/50/12/805915012.db2.gz QKIIUDBOUQGHAU-VIFPVBQESA-N -1 3 273.716 0.944 20 10 CCCDHM NC(=O)[C@H]1CC12CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001269560576 813420315 /nfs/dbraw/zinc/42/03/15/813420315.db2.gz VSCRRKTWQKCCIP-MRVPVSSYSA-N -1 3 262.265 0.045 20 10 CCCDHM C[C@H]1C[C@@H](CO)N(C(=O)c2cccc(O)c2[O-])C1 ZINC001148212331 840762170 /nfs/dbraw/zinc/76/21/70/840762170.db2.gz XTXUHXGUSFAILB-IUCAKERBSA-N -1 3 251.282 0.941 20 10 CCCDHM CCOC(=O)CC1(NC(=O)c2cccc(O)c2[O-])COC1 ZINC001148220127 840765996 /nfs/dbraw/zinc/76/59/96/840765996.db2.gz SBUCVFXLALPQOE-UHFFFAOYSA-N -1 3 295.291 0.550 20 10 CCCDHM CCOC(=O)[C@H]1[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]21 ZINC001148219045 840766807 /nfs/dbraw/zinc/76/68/07/840766807.db2.gz SWXUOXMTVUBQLD-IAZYJMLFSA-N -1 3 291.303 0.979 20 10 CCCDHM Nc1nonc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582150 840849510 /nfs/dbraw/zinc/84/95/10/840849510.db2.gz YSZXRJKHOUGMSO-UHFFFAOYSA-N -1 3 252.186 0.021 20 10 CCCDHM Cn1ncc(NC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148580144 840851095 /nfs/dbraw/zinc/85/10/95/840851095.db2.gz FQFQRUFQQZNDTH-UHFFFAOYSA-N -1 3 250.214 0.184 20 10 CCCDHM C[C@H]1CC[C@@H](CO)N1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582241 840851439 /nfs/dbraw/zinc/85/14/39/840851439.db2.gz GRANFNCHBSCHOH-CBAPKCEASA-N -1 3 267.281 0.789 20 10 CCCDHM C[C@]1(O)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148583332 840852162 /nfs/dbraw/zinc/85/21/62/840852162.db2.gz YUMVQRZIAKZXOA-LBPRGKRZSA-N -1 3 253.254 0.400 20 10 CCCDHM C[C@@H]1COCCN1CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590244 840854983 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O=C(NCC[C@H](O)C(F)F)c1cccc(O)c1[O-] ZINC000717412251 848257136 /nfs/dbraw/zinc/25/71/36/848257136.db2.gz GYEHBMDITDSAHN-QMMMGPOBSA-N -1 3 261.224 0.844 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1C[C@H](O)C[C@H]1CO ZINC001308707844 908431753 /nfs/dbraw/zinc/43/17/53/908431753.db2.gz YZNXFTSHFPJYIJ-DTWKUNHWSA-N -1 3 259.252 0.598 20 10 CCCDHM C[C@@H]([NH2+][C@@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1[O-] ZINC001594206469 959270583 /nfs/dbraw/zinc/27/05/83/959270583.db2.gz HZTDZSQDPXLJII-MWLCHTKSSA-N -1 3 278.308 0.728 20 10 CCCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])CN1CCOCC1 ZINC000187114445 351529986 /nfs/dbraw/zinc/52/99/86/351529986.db2.gz BJMLHDBFHQIKRC-NSHDSACASA-N -1 3 294.351 0.796 20 10 CCCDHM COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccccc1[O-] ZINC000188616610 351612551 /nfs/dbraw/zinc/61/25/51/351612551.db2.gz NDMYXSDPBAHBRA-QWRGUYRKSA-N -1 3 251.282 0.500 20 10 CCCDHM COC(=O)[C@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272731599 353088921 /nfs/dbraw/zinc/08/89/21/353088921.db2.gz HCEVXGUZYWOMLX-MRVPVSSYSA-N -1 3 267.281 0.945 20 10 CCCDHM NC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070975647 283287477 /nfs/dbraw/zinc/28/74/77/283287477.db2.gz SDHFVKMXYZJLQV-GFCCVEGCSA-N -1 3 264.325 0.859 20 10 CCCDHM CCS(=O)(=O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000267626494 389374023 /nfs/dbraw/zinc/37/40/23/389374023.db2.gz VYASECIHXFYBAV-UHFFFAOYSA-N -1 3 287.337 0.571 20 10 CCCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)S(C)(=O)=O ZINC000754506994 581594647 /nfs/dbraw/zinc/59/46/47/581594647.db2.gz HYIZZVYCTJWOMO-LURJTMIESA-N -1 3 263.340 0.617 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nncn1C ZINC000126374869 260349625 /nfs/dbraw/zinc/34/96/25/260349625.db2.gz KPHSIYHDFUWTHS-ZETCQYMHSA-N -1 3 262.269 0.717 20 10 CCCDHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C(=O)O1 ZINC000298562375 326917497 /nfs/dbraw/zinc/91/74/97/326917497.db2.gz ZNPBGKWYUXGRSY-SVRRBLITSA-N -1 3 251.238 0.532 20 10 CCCDHM CNC(=O)[C@@]1(C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000230902314 333322479 /nfs/dbraw/zinc/32/24/79/333322479.db2.gz KWFOQCAVIDEPLX-AWEZNQCLSA-N -1 3 278.308 0.696 20 10 CCCDHM CCOC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000529891762 333513449 /nfs/dbraw/zinc/51/34/49/333513449.db2.gz DNMIHZKDKCWTJW-SNVBAGLBSA-N -1 3 281.308 0.975 20 10 CCCDHM CC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000279310026 519580990 /nfs/dbraw/zinc/58/09/90/519580990.db2.gz OFWLDVIKKNINAS-SECBINFHSA-N -1 3 278.308 0.791 20 10 CCCDHM COc1cc(Cl)cc(CN2C[C@@H](O)[C@H](O)C2)c1[O-] ZINC000278457221 522535310 /nfs/dbraw/zinc/53/53/10/522535310.db2.gz ZEQBZMJXQNQKPM-NXEZZACHSA-N -1 3 273.716 0.592 20 10 CCCDHM COC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000279335504 523621096 /nfs/dbraw/zinc/62/10/96/523621096.db2.gz QRWISWFCKIUSPV-JTQLQIEISA-N -1 3 265.265 0.779 20 10 CCCDHM O=C(CNC(=O)c1cccc(O)c1[O-])NC1CC1 ZINC000126262506 526862063 /nfs/dbraw/zinc/86/20/63/526862063.db2.gz FLIDMOAXVOTQOO-UHFFFAOYSA-N -1 3 250.254 0.106 20 10 CCCDHM COC(=O)[C@@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000777191016 581109835 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ZINC001231447446 805802545 /nfs/dbraw/zinc/80/25/45/805802545.db2.gz UJLPUHOYTXSMGB-UHFFFAOYSA-N -1 3 264.281 0.412 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CCNC(=O)CC2)c([O-])c1 ZINC001231447446 805802555 /nfs/dbraw/zinc/80/25/55/805802555.db2.gz UJLPUHOYTXSMGB-UHFFFAOYSA-N -1 3 264.281 0.412 20 10 CCCDHM O=C([O-])c1ccc(CN2CCOC[C@@H](O)C2)c(O)c1 ZINC001231447178 805804790 /nfs/dbraw/zinc/80/47/90/805804790.db2.gz OTRGLPNOQPYNQO-NSHDSACASA-N -1 3 267.281 0.284 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CCOC[C@@H](O)C2)c([O-])c1 ZINC001231447178 805804799 /nfs/dbraw/zinc/80/47/99/805804799.db2.gz OTRGLPNOQPYNQO-NSHDSACASA-N -1 3 267.281 0.284 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c([O-])c1 ZINC001231447178 805804808 /nfs/dbraw/zinc/80/48/08/805804808.db2.gz OTRGLPNOQPYNQO-NSHDSACASA-N -1 3 267.281 0.284 20 10 CCCDHM CN1CCN(Cc2ccc(C(=O)[O-])cc2O)CCC1=O ZINC001231451994 805806070 /nfs/dbraw/zinc/80/60/70/805806070.db2.gz ADJMMQYTUHBGNV-UHFFFAOYSA-N -1 3 278.308 0.755 20 10 CCCDHM O=C(NCC[C@@]1(O)CCOC1)c1cccc(O)c1[O-] ZINC000403300295 791269568 /nfs/dbraw/zinc/26/95/68/791269568.db2.gz YEOLWZHGUKYFJR-CYBMUJFWSA-N -1 3 267.281 0.369 20 10 CCCDHM COc1ccc(CN2C[C@H](O)[C@H](CO)C2)c([O-])c1Cl ZINC001236802096 806610809 /nfs/dbraw/zinc/61/08/09/806610809.db2.gz OJGWGCRABAANGG-UWVGGRQHSA-N -1 3 287.743 0.839 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1C[C@H](O)C[C@H](O)C1 ZINC001204357466 803081075 /nfs/dbraw/zinc/08/10/75/803081075.db2.gz ADGYFOBJCIZQBD-DTORHVGOSA-N -1 3 259.252 0.598 20 10 CCCDHM CN1CC[C@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1=O ZINC001269685423 813469499 /nfs/dbraw/zinc/46/94/99/813469499.db2.gz CKOMWUMJPBTHQC-OAHLLOKOSA-N -1 3 290.319 0.792 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CO)c1[O-] ZINC000168300235 815998447 /nfs/dbraw/zinc/99/84/47/815998447.db2.gz ITBKGDZKOIGRIY-GFCCVEGCSA-N -1 3 283.299 0.927 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)c1cnn(CCO)c1 ZINC001156177881 822341918 /nfs/dbraw/zinc/34/19/18/822341918.db2.gz QUPZQLGRSHXRMT-UHFFFAOYSA-N -1 3 279.271 0.650 20 10 CCCDHM O=C(N[C@@H]1CCC[C@@H]1O)c1cc(O)c([O-])c(O)c1 ZINC000170190497 839378796 /nfs/dbraw/zinc/37/87/96/839378796.db2.gz OBQNDVFKLGWTNL-SFYZADRCSA-N -1 3 253.254 0.447 20 10 CCCDHM O=C(CN1C(=O)CSC1=S)Nc1cncc([O-])c1 ZINC001144841232 840157006 /nfs/dbraw/zinc/15/70/06/840157006.db2.gz XUDABYJRZKXNPY-UHFFFAOYSA-N -1 3 283.334 0.586 20 10 CCCDHM O=C(N[C@@H]1COCCC12OCCO2)c1cccc(O)c1[O-] ZINC001148219835 840766540 /nfs/dbraw/zinc/76/65/40/840766540.db2.gz AUPROEKYSALSFQ-LLVKDONJSA-N -1 3 295.291 0.360 20 10 CCCDHM COC(=O)[C@@]1(F)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148582203 840847976 /nfs/dbraw/zinc/84/79/76/840847976.db2.gz FMDQKIDWCLTTOE-CYBMUJFWSA-N -1 3 299.254 0.531 20 10 CCCDHM CCN(CCC(N)=O)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584297 840853891 /nfs/dbraw/zinc/85/38/91/840853891.db2.gz RLHZXNVJQDBGEM-UHFFFAOYSA-N -1 3 268.269 0.141 20 10 CCCDHM CN1C[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)CCC1=O ZINC001148590042 840856910 /nfs/dbraw/zinc/85/69/10/840856910.db2.gz WHDVCYVVYKXMRX-QMMMGPOBSA-N -1 3 280.280 0.154 20 10 CCCDHM C[C@@H]1COCC[C@@H]1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590014 840857194 /nfs/dbraw/zinc/85/71/94/840857194.db2.gz VMICPALNXQJZNN-APPZFPTMSA-N -1 3 267.281 0.958 20 10 CCCDHM O=S(=O)([N-]CCc1ccc(O)c(O)c1)C(F)F ZINC001259960564 851886813 /nfs/dbraw/zinc/88/68/13/851886813.db2.gz XPRYZZYXAJDOGP-UHFFFAOYSA-N -1 3 267.253 0.782 20 10 CCCDHM CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001326468538 913975242 /nfs/dbraw/zinc/97/52/42/913975242.db2.gz VWZCQKPOMJIKKR-SECBINFHSA-N -1 3 299.348 0.605 20 10 CCCDHM CS(=O)(=O)NC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001308869065 908438494 /nfs/dbraw/zinc/43/84/94/908438494.db2.gz USXLXGNQGJKJOH-UHFFFAOYSA-N -1 3 290.772 0.779 20 10 CCCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])C(N)=O ZINC000188208746 351580546 /nfs/dbraw/zinc/58/05/46/351580546.db2.gz PAMIOAARAOCLOH-UHFFFAOYSA-N -1 3 252.270 0.339 20 10 CCCDHM O=C(NC[C@@H]1CC[C@H](O)C1)c1cccc(O)c1[O-] ZINC000191214530 351750921 /nfs/dbraw/zinc/75/09/21/351750921.db2.gz RTRFGZCIGZJMRM-BDAKNGLRSA-N -1 3 251.282 0.989 20 10 CCCDHM COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000275565305 353205590 /nfs/dbraw/zinc/20/55/90/353205590.db2.gz NABCQJTXKCQPCT-ONGXEEELSA-N -1 3 295.291 0.236 20 10 CCCDHM C[C@H]1CCNC(=O)[C@@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000193612792 290598551 /nfs/dbraw/zinc/59/85/51/290598551.db2.gz WSLAGHFRQUHVPF-QPUJVOFHSA-N -1 3 279.296 0.915 20 10 CCCDHM COc1cc(Cl)cc(CN2CCNC(=O)C2)c1[O-] ZINC000184673102 262026025 /nfs/dbraw/zinc/02/60/25/262026025.db2.gz XTAQZSVZYITKMB-UHFFFAOYSA-N -1 3 270.716 0.986 20 10 CCCDHM NC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000092735218 389030314 /nfs/dbraw/zinc/03/03/14/389030314.db2.gz RJNACGARFOGQFL-LLVKDONJSA-N -1 3 270.716 0.732 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(N)=O)C2)c1[O-] ZINC000175613443 389544466 /nfs/dbraw/zinc/54/44/66/389544466.db2.gz XJRDPRKTATUDNH-GFCCVEGCSA-N -1 3 296.298 0.420 20 10 CCCDHM CCN(CCS(C)(=O)=O)C(=O)c1cccc(O)c1[O-] ZINC000279784269 389595390 /nfs/dbraw/zinc/59/53/90/389595390.db2.gz HRKMSLPJBKVQPP-UHFFFAOYSA-N -1 3 287.337 0.605 20 10 CCCDHM CNC(=O)[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000182462308 389709185 /nfs/dbraw/zinc/70/91/85/389709185.db2.gz IAIVZAJJQVKARG-LBPRGKRZSA-N -1 3 268.288 0.478 20 10 CCCDHM Cc1ccc(C(=O)N2CC[C@H](CO)C2)c([O-])c1O ZINC000272553836 263006527 /nfs/dbraw/zinc/00/65/27/263006527.db2.gz BHSLGIJHSZIODI-VIFPVBQESA-N -1 3 251.282 0.861 20 10 CCCDHM Cc1ccc(C(=O)N2CC[C@@H](CO)C2)c([O-])c1O ZINC000272553831 263006646 /nfs/dbraw/zinc/00/66/46/263006646.db2.gz BHSLGIJHSZIODI-SECBINFHSA-N -1 3 251.282 0.861 20 10 CCCDHM Cc1ccc(C(=O)N2CC[C@@H](CC(N)=O)C2)c([O-])c1O ZINC000368643343 267193767 /nfs/dbraw/zinc/19/37/67/267193767.db2.gz NJQUSNANBQAFRB-VIFPVBQESA-N -1 3 278.308 0.744 20 10 CCCDHM CCN(C)C(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000188509623 520212535 /nfs/dbraw/zinc/21/25/35/520212535.db2.gz NSJAHONWTDSCKE-QMMMGPOBSA-N -1 3 266.297 0.694 20 10 CCCDHM COC(=O)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126252941 523693455 /nfs/dbraw/zinc/69/34/55/523693455.db2.gz BWFASAFFCGHQPB-VIFPVBQESA-N -1 3 265.265 0.875 20 10 CCCDHM C[C@]1(NC(=O)c2cccc(O)c2[O-])CCOC1=O ZINC000291931859 525296231 /nfs/dbraw/zinc/29/62/31/525296231.db2.gz CBXHGLJSFSUOAW-LBPRGKRZSA-N -1 3 251.238 0.533 20 10 CCCDHM C[C@@H](O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126522908 525861736 /nfs/dbraw/zinc/86/17/36/525861736.db2.gz ZORAMZQLPGEYRG-BDAKNGLRSA-N -1 3 251.282 0.941 20 10 CCCDHM O=C1NC(=O)N2CCN(Cc3cc(Cl)ccc3[O-])C[C@H]12 ZINC000779433380 581185228 /nfs/dbraw/zinc/18/52/28/581185228.db2.gz XWXNKXLVJITFPU-SNVBAGLBSA-N -1 3 295.726 0.782 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CCCN(C)C2=O)c([O-])c1O ZINC000780958012 581252482 /nfs/dbraw/zinc/25/24/82/581252482.db2.gz CKELYSSJYFAAMY-JTQLQIEISA-N -1 3 278.308 0.757 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](CO)C2CC2)c([O-])c1O ZINC000781015240 581256492 /nfs/dbraw/zinc/25/64/92/581256492.db2.gz NGPQTWKHEXOHJT-SNVBAGLBSA-N -1 3 251.282 0.907 20 10 CCCDHM COC(=O)C[C@@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000752820101 581518216 /nfs/dbraw/zinc/51/82/16/581518216.db2.gz HMUVYYYCHRNCFO-SECBINFHSA-N -1 3 285.321 0.858 20 10 CCCDHM CN1CCN(C)[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732302603 581814890 /nfs/dbraw/zinc/81/48/90/581814890.db2.gz RQTRRGYOTNFQBG-SECBINFHSA-N -1 3 269.370 0.429 20 10 CCCDHM C[C@@H](O)CN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732287845 581817631 /nfs/dbraw/zinc/81/76/31/581817631.db2.gz CEAGHWNMCZPXTH-SECBINFHSA-N -1 3 270.354 0.592 20 10 CCCDHM C[C@H]1C(=O)NCCCN1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000788048599 581847723 /nfs/dbraw/zinc/84/77/23/581847723.db2.gz RSSFHSCLEJCUEQ-TVQRCGJNSA-N -1 3 292.335 0.528 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC=CC2)c1 ZINC000910008553 617178164 /nfs/dbraw/zinc/17/81/64/617178164.db2.gz DNMKAJXHXCYGDX-UHFFFAOYSA-N -1 3 282.321 0.776 20 10 CCCDHM COc1cccc(S([O-])=CC(=O)OCC(=O)C(C)=O)c1 ZINC000821352470 617310615 /nfs/dbraw/zinc/31/06/15/617310615.db2.gz KFUCNZQHMXZVBT-HXUWFJFHSA-N -1 3 298.316 0.504 20 10 CCCDHM CCN(CC)C(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000126530196 614976068 /nfs/dbraw/zinc/97/60/68/614976068.db2.gz SALFKMAKRVHRLE-UHFFFAOYSA-N -1 3 266.297 0.696 20 10 CCCDHM CCN1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1=O ZINC000922381766 615216962 /nfs/dbraw/zinc/21/69/62/615216962.db2.gz AJNVECNRHZFRQH-LLVKDONJSA-N -1 3 295.314 0.951 20 10 CCCDHM CC[C@@H]1C(=O)NCCCN1C(=O)c1cccc(O)c1[O-] ZINC000886505840 615549789 /nfs/dbraw/zinc/54/97/89/615549789.db2.gz SLNPMZWCWTYTGV-SNVBAGLBSA-N -1 3 278.308 0.839 20 10 CCCDHM CN1CCO[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000916882516 616255111 /nfs/dbraw/zinc/25/51/11/616255111.db2.gz JATNAXIYXWCNCU-JTQLQIEISA-N -1 3 297.330 0.661 20 10 CCCDHM CO[C@@H]1COC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923037191 616824991 /nfs/dbraw/zinc/82/49/91/616824991.db2.gz NOKMISUXIOMQRV-ZYHUDNBSSA-N -1 3 284.287 0.744 20 10 CCCDHM CNC(=O)[C@H](CCSC)NC(=O)c1cccc(O)c1[O-] ZINC000807903920 616861991 /nfs/dbraw/zinc/86/19/91/616861991.db2.gz KDZRTVYUHPZYKN-VIFPVBQESA-N -1 3 298.364 0.695 20 10 CCCDHM C[C@]1(CO)C[C@H](O)CN1Cc1ccc(F)c(F)c1[O-] ZINC000895325141 632056086 /nfs/dbraw/zinc/05/60/86/632056086.db2.gz OHIILADZODZBDI-TVQRCGJNSA-N -1 3 273.279 0.988 20 10 CCCDHM NC(=O)CN1CCN(Cc2c([O-])cccc2Cl)CC1=O ZINC000839169108 640303993 /nfs/dbraw/zinc/30/39/93/640303993.db2.gz FUOFEGITPADQNQ-UHFFFAOYSA-N -1 3 297.742 0.175 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1O ZINC000159265146 649317459 /nfs/dbraw/zinc/31/74/59/649317459.db2.gz RGZOQQAZGTUHCC-PSASIEDQSA-N -1 3 251.282 0.941 20 10 CCCDHM CCS(=O)(=O)C1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000693480719 791307846 /nfs/dbraw/zinc/30/78/46/791307846.db2.gz NWXGTOJDJNPUSO-UHFFFAOYSA-N -1 3 299.348 0.795 20 10 CCCDHM COC(=O)[C@@H]1CNCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001236055249 806537288 /nfs/dbraw/zinc/53/72/88/806537288.db2.gz MCIFJHKHNFIYTB-NSHDSACASA-N -1 3 294.307 0.037 20 10 CCCDHM COC(=O)C1(NC(=O)c2cccc(O)c2[O-])CC(CO)C1 ZINC001159418437 801802543 /nfs/dbraw/zinc/80/25/43/801802543.db2.gz RIRUWARPHMXMNY-UHFFFAOYSA-N -1 3 295.291 0.142 20 10 CCCDHM O=C(CCNC(=O)c1cccc(O)c1[O-])Nc1ncc[nH]1 ZINC001161016846 802061489 /nfs/dbraw/zinc/06/14/89/802061489.db2.gz LUAAFUBVWLBKDU-UHFFFAOYSA-N -1 3 290.279 0.580 20 10 CCCDHM CO[C@]1(CO)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000401745821 803799865 /nfs/dbraw/zinc/79/98/65/803799865.db2.gz UYGOSVKSNDPNCW-CQSZACIVSA-N -1 3 281.308 0.711 20 10 CCCDHM COC(=O)N(C)CCN(C)C(=O)c1cccc(O)c1[O-] ZINC000690817074 811803507 /nfs/dbraw/zinc/80/35/07/811803507.db2.gz YYTJAFOPJNDDGH-UHFFFAOYSA-N -1 3 282.296 0.868 20 10 CCCDHM Cc1cnc(CCNC(=O)c2cc(O)c([O-])c(O)c2)nc1 ZINC001148579985 840849765 /nfs/dbraw/zinc/84/97/65/840849765.db2.gz DDBGKTYPNRALPC-UHFFFAOYSA-N -1 3 289.291 0.874 20 10 CCCDHM CN(C(=O)CCNC(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001148585933 840854094 /nfs/dbraw/zinc/85/40/94/840854094.db2.gz FNZVQLJZZWTDTL-UHFFFAOYSA-N -1 3 294.307 0.544 20 10 CCCDHM Cc1nccn1CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589887 840854863 /nfs/dbraw/zinc/85/48/63/840854863.db2.gz PNZJHEUDQODBMC-UHFFFAOYSA-N -1 3 277.280 0.738 20 10 CCCDHM O=C(NCCc1cnccn1)c1cc(O)c([O-])c(O)c1 ZINC001148589627 840855079 /nfs/dbraw/zinc/85/50/79/840855079.db2.gz FFKANKKDHKBHQH-UHFFFAOYSA-N -1 3 275.264 0.566 20 10 CCCDHM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148591069 840856239 /nfs/dbraw/zinc/85/62/39/840856239.db2.gz SQXODNFCZVVSLR-HTQZYQBOSA-N -1 3 281.264 0.342 20 10 CCCDHM O=C(CCn1ccnc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001176883241 842439109 /nfs/dbraw/zinc/43/91/09/842439109.db2.gz GDNDMHKCBFPYIV-UHFFFAOYSA-N -1 3 289.291 0.684 20 10 CCCDHM CN1CCCC[C@@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001178701418 842906047 /nfs/dbraw/zinc/90/60/47/842906047.db2.gz LSCSRAQNWAJDNE-LLVKDONJSA-N -1 3 292.335 0.881 20 10 CCCDHM O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(O)c1[O-] ZINC000724542933 850202300 /nfs/dbraw/zinc/20/23/00/850202300.db2.gz RORZPOXLGRVIFC-PTRXPTGYSA-N -1 3 279.292 0.632 20 10 CCCDHM [O-]c1c(F)cc(F)cc1CN1C[C@H](O)C[C@H]1CO ZINC001119512503 856712981 /nfs/dbraw/zinc/71/29/81/856712981.db2.gz DYUKJEIXONVHGE-VHSXEESVSA-N -1 3 259.252 0.598 20 10 CCCDHM NC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC001292698282 906324689 /nfs/dbraw/zinc/32/46/89/906324689.db2.gz MTOLQURBGLTABY-SECBINFHSA-N -1 3 293.323 0.761 20 10 CCCDHM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001302574297 908026209 /nfs/dbraw/zinc/02/62/09/908026209.db2.gz WNCPYPZGGGOWRG-PRHODGIISA-N -1 3 295.291 0.406 20 10 CCCDHM O=C(NCc1c(O)cccc1O)c1cnncc1[O-] ZINC001304053445 908136135 /nfs/dbraw/zinc/13/61/35/908136135.db2.gz LDSUOYKTCBHBOW-UHFFFAOYSA-N -1 3 261.237 0.523 20 10 CCCDHM O=C(NC1(c2ncon2)CC1)c1cccc(O)c1[O-] ZINC001304123934 908146867 /nfs/dbraw/zinc/14/68/67/908146867.db2.gz OODWZVMEPIELHS-UHFFFAOYSA-N -1 3 261.237 0.900 20 10 CCCDHM C[C@H]([C@H](C)NC(=O)c1cccc(O)c1[O-])N1CCOCC1 ZINC000193022986 351808499 /nfs/dbraw/zinc/80/84/99/351808499.db2.gz JHNPQTRUQBRWDD-WDEREUQCSA-N -1 3 294.351 0.937 20 10 CCCDHM CN(C)S(=O)(=O)CCNCc1cccc(F)c1[O-] ZINC000230991459 352124270 /nfs/dbraw/zinc/12/42/70/352124270.db2.gz JSUFUDAYNXRUGM-UHFFFAOYSA-N -1 3 276.333 0.512 20 10 CCCDHM CC(C)(CO)O[N-]C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000297144835 200097177 /nfs/dbraw/zinc/09/71/77/200097177.db2.gz IODGCBRWEDPVRP-GQCTYLIASA-N -1 3 267.281 0.930 20 10 CCCDHM C[C@@]1(NC(=O)c2cccc(O)c2[O-])CCOC1=O ZINC000291931854 388943169 /nfs/dbraw/zinc/94/31/69/388943169.db2.gz CBXHGLJSFSUOAW-GFCCVEGCSA-N -1 3 251.238 0.533 20 10 CCCDHM COC[C@H](CCO)NC(=O)c1cccc(O)c1[O-] ZINC000229415172 389155481 /nfs/dbraw/zinc/15/54/81/389155481.db2.gz ZHASUNIKNGIKSB-QMMMGPOBSA-N -1 3 255.270 0.225 20 10 CCCDHM C[C@@H](C[S@](C)=O)NC(=O)c1cccc(O)c1[O-] ZINC000126550110 389170144 /nfs/dbraw/zinc/17/01/44/389170144.db2.gz SBZNHTYPUUDZRU-BWKAKNAASA-N -1 3 257.311 0.595 20 10 CCCDHM Cc1ccc(C(=O)NCC2N=NC(=S)N2C)c([O-])c1O ZINC000267604860 389372992 /nfs/dbraw/zinc/37/29/92/389372992.db2.gz QEYYPKJMCMUIAC-UHFFFAOYSA-N -1 3 294.336 0.753 20 10 CCCDHM C[C@@H]1CN(Cc2ccccc2[O-])C[C@H](C(N)=O)O1 ZINC000179586349 389660019 /nfs/dbraw/zinc/66/00/19/389660019.db2.gz PIZGVRSYQXZKAC-BXKDBHETSA-N -1 3 250.298 0.467 20 10 CCCDHM C[C@H](O)C(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180209822 389667163 /nfs/dbraw/zinc/66/71/63/389667163.db2.gz FEFUSPZHJSSQQQ-JTQLQIEISA-N -1 3 282.315 0.556 20 10 CCCDHM O=C1NC[C@H]2CN(Cc3cc(F)ccc3[O-])CCN12 ZINC000180255722 389668122 /nfs/dbraw/zinc/66/81/22/389668122.db2.gz YAFVVYKUUUAWOR-NSHDSACASA-N -1 3 265.288 0.741 20 10 CCCDHM Cc1ccc(C(=O)NCCN2CCN(C)CC2)c([O-])c1O ZINC000181824852 389694759 /nfs/dbraw/zinc/69/47/59/389694759.db2.gz CKUNWJQBCLGSGJ-UHFFFAOYSA-N -1 3 293.367 0.383 20 10 CCCDHM Cc1ccc(C(=O)NC2(CO)CCOCC2)c([O-])c1O ZINC000274094309 328208191 /nfs/dbraw/zinc/20/81/91/328208191.db2.gz XOLYTNHAKSLJBK-UHFFFAOYSA-N -1 3 281.308 0.678 20 10 CCCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000275085572 330109055 /nfs/dbraw/zinc/10/90/55/330109055.db2.gz FTPPIJNXENRQKS-QMMMGPOBSA-N -1 3 253.254 0.779 20 10 CCCDHM COC(=O)[C@H](CF)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000292510723 523900971 /nfs/dbraw/zinc/90/09/71/523900971.db2.gz HOXQCKCGRAUWRQ-QMMMGPOBSA-N -1 3 271.244 0.647 20 10 CCCDHM CN1C[C@H](NC(=O)c2cccc(O)c2[O-])CC1=O ZINC000280656127 524024983 /nfs/dbraw/zinc/02/49/83/524024983.db2.gz ODDYUDCJXKAQIQ-SSDOTTSWSA-N -1 3 250.254 0.058 20 10 CCCDHM C[C@]1(C(N)=O)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000235736254 525236717 /nfs/dbraw/zinc/23/67/17/525236717.db2.gz HSFMQRYQYBQOID-ZDUSSCGKSA-N -1 3 264.281 0.435 20 10 CCCDHM O=C(NC[C@@]1(O)CCSC1)c1cccc(O)c1[O-] ZINC000274995487 526566272 /nfs/dbraw/zinc/56/62/72/526566272.db2.gz SOBULQQOANAPAE-LBPRGKRZSA-N -1 3 269.322 0.696 20 10 CCCDHM COC[C@@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000778514281 581158646 /nfs/dbraw/zinc/15/86/46/581158646.db2.gz HFZGDURMOZESRK-SSDOTTSWSA-N -1 3 259.283 0.372 20 10 CCCDHM O=C(NC[C@]1(CCO)CCOC1)c1cccc(O)c1[O-] ZINC000790897605 581201576 /nfs/dbraw/zinc/20/15/76/581201576.db2.gz YHUAPEGWQXXBCO-AWEZNQCLSA-N -1 3 281.308 0.617 20 10 CCCDHM CSC[C@@H](CCO)NC(=O)c1cccc(O)c1[O-] ZINC000790905964 581201866 /nfs/dbraw/zinc/20/18/66/581201866.db2.gz RMRUSNIEEJATLB-MRVPVSSYSA-N -1 3 271.338 0.942 20 10 CCCDHM C[C@H](O)C(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000766253406 581559937 /nfs/dbraw/zinc/55/99/37/581559937.db2.gz WNBKTCMJQDQLMC-QMMMGPOBSA-N -1 3 284.337 0.119 20 10 CCCDHM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000735118562 581624977 /nfs/dbraw/zinc/62/49/77/581624977.db2.gz PYSHRVRKOYLETN-ZETCQYMHSA-N -1 3 290.366 0.217 20 10 CCCDHM COc1cccc([O-])c1CN(C)CC(=O)N(C)C ZINC000768190935 581646877 /nfs/dbraw/zinc/64/68/77/581646877.db2.gz FVDFCHNNPVJNKL-UHFFFAOYSA-N -1 3 252.314 0.921 20 10 CCCDHM COC(=O)CCNC(=O)COC(=O)c1cc([O-])cs1 ZINC000732354602 581820914 /nfs/dbraw/zinc/82/09/14/581820914.db2.gz XAOPJZFQKZDEIS-UHFFFAOYSA-N -1 3 287.293 0.290 20 10 CCCDHM COc1cc(Cl)cc(CN2C[C@H](O)C[C@H](O)C2)c1[O-] ZINC000761205312 581895482 /nfs/dbraw/zinc/89/54/82/581895482.db2.gz SKTAWUWYDHKHJF-PHIMTYICSA-N -1 3 287.743 0.982 20 10 CCCDHM CC(C)OC[C@H](CO)N(C)C(=O)c1cccc(O)c1[O-] ZINC000762543584 581950659 /nfs/dbraw/zinc/95/06/59/581950659.db2.gz XBKOOMQRYFXFDK-JTQLQIEISA-N -1 3 283.324 0.956 20 10 CCCDHM NC(=O)N[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000763224902 581991307 /nfs/dbraw/zinc/99/13/07/581991307.db2.gz XLWHYPSPNJQUFS-LURJTMIESA-N -1 3 255.299 0.337 20 10 CCCDHM C[C@H]1CO[C@H](CO)CN1C(=O)c1cc([O-])cs1 ZINC000764716408 582064181 /nfs/dbraw/zinc/06/41/81/582064181.db2.gz WPTKWIXSGMWXSN-CBAPKCEASA-N -1 3 257.311 0.676 20 10 CCCDHM O=C(NC[C@@H]1CCCS1(=O)=O)c1cc([O-])cs1 ZINC000768257316 582105346 /nfs/dbraw/zinc/10/53/46/582105346.db2.gz QJSNVZOEILPCFT-QMMMGPOBSA-N -1 3 275.351 0.761 20 10 CCCDHM CN(Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCN(C)C1=O ZINC000768445892 582106694 /nfs/dbraw/zinc/10/66/94/582106694.db2.gz KDDYSUSTFKRWQX-WCQYABFASA-N -1 3 292.335 0.481 20 10 CCCDHM CNC(=O)Cn1nc(NC(=O)c2cc([O-])cs2)cc1C ZINC000768535838 582107831 /nfs/dbraw/zinc/10/78/31/582107831.db2.gz CMGHSTXYCIXHRK-UHFFFAOYSA-N -1 3 294.336 0.957 20 10 CCCDHM O=C([O-])N[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000834189703 605501150 /nfs/dbraw/zinc/50/11/50/605501150.db2.gz OGYYNSGSAZSHST-JOYOIKCWSA-N -1 3 294.307 0.660 20 10 CCCDHM CCN1CCOC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928704800 615167654 /nfs/dbraw/zinc/16/76/54/615167654.db2.gz DBKHDMJWXMEXKI-LBPRGKRZSA-N -1 3 282.315 0.868 20 10 CCCDHM CCO[N-]C(=O)C[NH2+]Cc1c([O-])cccc1OC ZINC000846088727 615373559 /nfs/dbraw/zinc/37/35/59/615373559.db2.gz JXLVMBSIPDNZQQ-UHFFFAOYSA-N -1 3 254.286 0.558 20 10 CCCDHM CN1CCN(CC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890760422 616239836 /nfs/dbraw/zinc/23/98/36/616239836.db2.gz RKIBMTFNIPGGKX-UHFFFAOYSA-N -1 3 297.786 0.909 20 10 CCCDHM CN1CC[C@H](CNC(=O)c2cccc(O)c2[O-])CC1=O ZINC000819622962 616398446 /nfs/dbraw/zinc/39/84/46/616398446.db2.gz YHQMKDULBQYSDH-VIFPVBQESA-N -1 3 278.308 0.696 20 10 CCCDHM COC[C@](C)(O)CCNC(=O)c1cccc(O)c1[O-] ZINC000833449814 616839847 /nfs/dbraw/zinc/83/98/47/616839847.db2.gz XZBCIVGDTUFYKE-CYBMUJFWSA-N -1 3 269.297 0.615 20 10 CCCDHM Cn1[nH]c(=O)c2c1CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000913032279 636731250 /nfs/dbraw/zinc/73/12/50/636731250.db2.gz OSCKXBZXJLKNTA-UHFFFAOYSA-N -1 3 289.291 0.735 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000126500549 646809567 /nfs/dbraw/zinc/80/95/67/646809567.db2.gz XWCHRZZJIMFSCW-MWLCHTKSSA-N -1 3 290.319 0.839 20 10 CCCDHM O=C(CC1OCCO1)NCc1c([O-])cccc1F ZINC000928709005 648658308 /nfs/dbraw/zinc/65/83/08/648658308.db2.gz VGVHPZNJOIWBBO-UHFFFAOYSA-N -1 3 255.245 0.911 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CSC(=O)N1 ZINC000928712317 648658882 /nfs/dbraw/zinc/65/88/82/648658882.db2.gz QWNZPOAEASVILH-QMMMGPOBSA-N -1 3 270.285 0.973 20 10 CCCDHM O=C(CNC(=O)N1CCCC1)NCc1c([O-])cccc1F ZINC000928709550 648659670 /nfs/dbraw/zinc/65/96/70/648659670.db2.gz JNFGJDYLZJPQNJ-UHFFFAOYSA-N -1 3 295.314 0.953 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)C(=O)NCC(F)F ZINC000928707320 648659675 /nfs/dbraw/zinc/65/96/75/648659675.db2.gz CSLGIPQWDZKRPJ-UHFFFAOYSA-N -1 3 276.214 0.529 20 10 CCCDHM CNC(=O)CN(C)Cc1cc(Cl)c([O-])cc1O ZINC001232258663 805914356 /nfs/dbraw/zinc/91/43/56/805914356.db2.gz CCCVKHNAKCHYNZ-UHFFFAOYSA-N -1 3 258.705 0.929 20 10 CCCDHM NC(=O)[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001140466102 799909449 /nfs/dbraw/zinc/90/94/49/799909449.db2.gz XDAJKGGOFYMADV-LLVKDONJSA-N -1 3 270.716 0.732 20 10 CCCDHM O=C(Cc1ccc(O)c(O)c1)[N-]OCCN1CCCC1=O ZINC001149452036 800265850 /nfs/dbraw/zinc/26/58/50/800265850.db2.gz MZAQFLLJHWIINV-UHFFFAOYSA-N -1 3 294.307 0.311 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)[C@H](CO)C2)c1[O-] ZINC000316401564 804698523 /nfs/dbraw/zinc/69/85/23/804698523.db2.gz HDHIXPCDKVICSD-GWCFXTLKSA-N -1 3 283.299 0.519 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CSCN1 ZINC001263199536 809478783 /nfs/dbraw/zinc/47/87/83/809478783.db2.gz JTCPMWLRFBIELW-VIFPVBQESA-N -1 3 256.302 0.810 20 10 CCCDHM Cn1nnc(CNCc2c([O-])cccc2Cl)n1 ZINC000398193639 811903338 /nfs/dbraw/zinc/90/33/38/811903338.db2.gz YDZZBAMPYKNUOR-UHFFFAOYSA-N -1 3 253.693 0.859 20 10 CCCDHM NC(=O)C12CC(NC(=O)c3cccc(O)c3[O-])(C1)C2 ZINC001269559359 813420332 /nfs/dbraw/zinc/42/03/32/813420332.db2.gz AWEFMZNGAIJYNU-UHFFFAOYSA-N -1 3 262.265 0.236 20 10 CCCDHM CN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001269562083 813420824 /nfs/dbraw/zinc/42/08/24/813420824.db2.gz ZVRQHAZTMURZEN-RFAUZJTJSA-N -1 3 290.319 0.648 20 10 CCCDHM CN(C[C@H]1C[C@@H](O)C1)C(=O)c1cccc(O)c1[O-] ZINC000703710183 819315571 /nfs/dbraw/zinc/31/55/71/819315571.db2.gz RYZJEBBDBJWQOP-DTORHVGOSA-N -1 3 251.282 0.941 20 10 CCCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCCNC1=O ZINC001136520872 839645867 /nfs/dbraw/zinc/64/58/67/839645867.db2.gz JDJZQCRBSHIRSE-SNVBAGLBSA-N -1 3 278.308 0.839 20 10 CCCDHM CN(C(=O)c1cccc(O)c1[O-])c1nccnc1N ZINC001148211955 840761416 /nfs/dbraw/zinc/76/14/16/840761416.db2.gz DXYWEOMYFWMVNO-UHFFFAOYSA-N -1 3 260.253 0.747 20 10 CCCDHM Cn1c(=O)cc(NC(=O)c2cccc(O)c2[O-])[nH]c1=O ZINC001148224583 840767048 /nfs/dbraw/zinc/76/70/48/840767048.db2.gz QCFYBVSIRCUQSF-UHFFFAOYSA-N -1 3 277.236 0.149 20 10 CCCDHM Cn1ccc(CNC(=O)c2cccc(O)c2[O-])cc1=O ZINC001148220114 840767171 /nfs/dbraw/zinc/76/71/71/840767171.db2.gz RMSKHKDSJYORIT-UHFFFAOYSA-N -1 3 274.276 0.727 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCNCC(F)(F)C1 ZINC001148583061 840851052 /nfs/dbraw/zinc/85/10/52/840851052.db2.gz RDFBXCPJOUJXQJ-UHFFFAOYSA-N -1 3 288.250 0.484 20 10 CCCDHM COC(=O)[C@]1(F)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148582204 840851280 /nfs/dbraw/zinc/85/12/80/840851280.db2.gz FMDQKIDWCLTTOE-ZDUSSCGKSA-N -1 3 299.254 0.531 20 10 CCCDHM CC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148586417 840853202 /nfs/dbraw/zinc/85/32/02/840853202.db2.gz OKAHSPFNKQHHKI-XPTSAGLGSA-N -1 3 292.291 0.154 20 10 CCCDHM C[C@H]1COCC[C@@H]1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590015 840855841 /nfs/dbraw/zinc/85/58/41/840855841.db2.gz VMICPALNXQJZNN-CBAPKCEASA-N -1 3 267.281 0.958 20 10 CCCDHM CN1C[C@@H](CNC(=O)c2cc(O)c([O-])c(O)c2)CC1=O ZINC001148589683 840856132 /nfs/dbraw/zinc/85/61/32/840856132.db2.gz GZJQTQCNIGFXND-SSDOTTSWSA-N -1 3 280.280 0.012 20 10 CCCDHM CC(C)(C)[C@H](CO)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590160 840856215 /nfs/dbraw/zinc/85/62/15/840856215.db2.gz YBGMUYPFMODSTM-JTQLQIEISA-N -1 3 269.297 0.940 20 10 CCCDHM COC(=O)[C@H]1C[C@@H]1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148591071 840857517 /nfs/dbraw/zinc/85/75/17/840857517.db2.gz SQXODNFCZVVSLR-SFYZADRCSA-N -1 3 281.264 0.342 20 10 CCCDHM CC1(CCNC(=O)c2cccc(O)c2[O-])OCCO1 ZINC000716004731 841441697 /nfs/dbraw/zinc/44/16/97/841441697.db2.gz SQOGJPLTFYVRBD-UHFFFAOYSA-N -1 3 267.281 0.981 20 10 CCCDHM Cc1oncc1S(=O)(=O)[N-]CCc1ccc(O)c(O)c1 ZINC001187395148 844727456 /nfs/dbraw/zinc/72/74/56/844727456.db2.gz NYSJVPHWYIYBOM-UHFFFAOYSA-N -1 3 298.320 0.915 20 10 CCCDHM CCN(CC)c1ccc(CNCC(=O)NCC(=O)[O-])cc1 ZINC000075423930 844733386 /nfs/dbraw/zinc/73/33/86/844733386.db2.gz KEEKCGWQNWQVNU-UHFFFAOYSA-N -1 3 293.367 0.823 20 10 CCCDHM C[C@@H](NCC(=O)NCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC001589124000 956152989 /nfs/dbraw/zinc/15/29/89/956152989.db2.gz XTUSDOYUQGCQQZ-SNVBAGLBSA-N -1 3 279.340 0.604 20 10 CCCDHM CCN1CC(=O)N[C@H]1c1cc2c(cc1[O-])OCO2 ZINC000189866919 351706339 /nfs/dbraw/zinc/70/63/39/351706339.db2.gz VLCYAAFZCBRZFJ-GFCCVEGCSA-N -1 3 250.254 0.571 20 10 CCCDHM NC(=O)N[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000272484894 353068066 /nfs/dbraw/zinc/06/80/66/353068066.db2.gz TWXRUAXHUVVQJA-JTQLQIEISA-N -1 3 253.277 0.774 20 10 CCCDHM Cc1ccc(C(=O)N2CC(=O)N[C@H](C)C2)c([O-])c1O ZINC000296958411 389011091 /nfs/dbraw/zinc/01/10/91/389011091.db2.gz JWPZMWRQDNLCEB-MRVPVSSYSA-N -1 3 264.281 0.367 20 10 CCCDHM O=C(NCCCOCCO)c1cccc(O)c1[O-] ZINC000229417404 389155461 /nfs/dbraw/zinc/15/54/61/389155461.db2.gz WHEJNORWDBGZIA-UHFFFAOYSA-N -1 3 255.270 0.227 20 10 CCCDHM COCC[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000281843606 389626596 /nfs/dbraw/zinc/62/65/96/389626596.db2.gz YSBKOVODGGOGHB-QMMMGPOBSA-N -1 3 255.270 0.225 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](C)CN2CCOCC2)c([O-])c1O ZINC000177672377 389589581 /nfs/dbraw/zinc/58/95/81/389589581.db2.gz AHHHEJMXOPGLHV-NSHDSACASA-N -1 3 294.351 0.857 20 10 CCCDHM CN1CCN(C)[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126424098 260351334 /nfs/dbraw/zinc/35/13/34/260351334.db2.gz AHBDXIAKYRCJLU-SNVBAGLBSA-N -1 3 279.340 0.073 20 10 CCCDHM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000129666898 260389890 /nfs/dbraw/zinc/38/98/90/260389890.db2.gz DEBBCENZBPXVNO-VHSXEESVSA-N -1 3 251.282 0.987 20 10 CCCDHM O=C(NCc1nnc2n1CCCC2)c1cccc(O)c1[O-] ZINC000186961417 262118120 /nfs/dbraw/zinc/11/81/20/262118120.db2.gz HXHIGEFLKSVHFC-UHFFFAOYSA-N -1 3 288.307 0.956 20 10 CCCDHM C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cccc(O)c1[O-] ZINC000228706099 525585139 /nfs/dbraw/zinc/58/51/39/525585139.db2.gz ARHLIJSERUTZIK-ISVAXAHUSA-N -1 3 267.281 0.368 20 10 CCCDHM O=C([O-])[C@@]1(NCc2ccc3c(c2)CCO3)CCOC1 ZINC000789901642 581161467 /nfs/dbraw/zinc/16/14/67/581161467.db2.gz CFDPETRXZGNDPP-CQSZACIVSA-N -1 3 263.293 0.955 20 10 CCCDHM CN(C)C(=O)NCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000790910624 581201975 /nfs/dbraw/zinc/20/19/75/581201975.db2.gz DJGVJRUJRKIZNV-UHFFFAOYSA-N -1 3 281.312 0.441 20 10 CCCDHM [O-]c1cc2c(cc1CN1CCO[C@@H]3C[C@@H]31)[C@H](O)CO2 ZINC000793621514 581305200 /nfs/dbraw/zinc/30/52/00/581305200.db2.gz ZBKMUDGDBLQMPQ-ZKYQVNSYSA-N -1 3 263.293 0.791 20 10 CCCDHM CNS(=O)(=O)NCc1cc(Br)ccc1[O-] ZINC000796190888 581434048 /nfs/dbraw/zinc/43/40/48/581434048.db2.gz MINNRAATOKRTMR-UHFFFAOYSA-N -1 3 295.158 0.709 20 10 CCCDHM COCCN(CC(=O)OC)C(=O)c1cc([O-])cs1 ZINC000765237324 581507126 /nfs/dbraw/zinc/50/71/26/581507126.db2.gz XMZXZXFXYMYFGJ-UHFFFAOYSA-N -1 3 273.310 0.715 20 10 CCCDHM CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000731912014 581790306 /nfs/dbraw/zinc/79/03/06/581790306.db2.gz PMHCQSYPHQFSHR-LURJTMIESA-N -1 3 286.309 0.845 20 10 CCCDHM C[C@@H](CS(C)(=O)=O)NC(=O)c1cc([O-])cs1 ZINC000733366361 581903301 /nfs/dbraw/zinc/90/33/01/581903301.db2.gz FLDZKVAQGVEMRL-LURJTMIESA-N -1 3 263.340 0.617 20 10 CCCDHM CN1C[C@H](NC(=O)c2cc([O-])cs2)CCC1=O ZINC000738548698 582061476 /nfs/dbraw/zinc/06/14/76/582061476.db2.gz LRTUYKWUMOGXKB-SSDOTTSWSA-N -1 3 254.311 0.804 20 10 CCCDHM O=C([O-])[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000821511750 598098065 /nfs/dbraw/zinc/09/80/65/598098065.db2.gz QFLBMTKGVQDZBX-QPUJVOFHSA-N -1 3 279.292 0.725 20 10 CCCDHM O=C([O-])[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000821511750 598098068 /nfs/dbraw/zinc/09/80/68/598098068.db2.gz QFLBMTKGVQDZBX-QPUJVOFHSA-N -1 3 279.292 0.725 20 10 CCCDHM CCC[C@@H](O)[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000839816776 615003720 /nfs/dbraw/zinc/00/37/20/615003720.db2.gz JYQMANUTCPNRFB-NXEZZACHSA-N -1 3 269.297 0.350 20 10 CCCDHM CNC(=O)C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922745005 616668405 /nfs/dbraw/zinc/66/84/05/616668405.db2.gz ITLUSHNTLBLLQP-MRVPVSSYSA-N -1 3 283.303 0.855 20 10 CCCDHM CO[C@@H]1COC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000844026680 616827097 /nfs/dbraw/zinc/82/70/97/616827097.db2.gz AMXVBJJXCGTYPB-PSASIEDQSA-N -1 3 253.254 0.241 20 10 CCCDHM COCCN(C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452029 616970981 /nfs/dbraw/zinc/97/09/81/616970981.db2.gz AVXVPTDCXHNIQH-UHFFFAOYSA-N -1 3 292.332 0.444 20 10 CCCDHM Cn1cc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)cn1 ZINC000893214208 625381330 /nfs/dbraw/zinc/38/13/30/625381330.db2.gz LOLXIEFBBWRQGY-PLNGDYQASA-N -1 3 285.307 0.908 20 10 CCCDHM CN(CC1(O)CCOCC1)C(=O)c1cccc(O)c1[O-] ZINC000161703708 623479527 /nfs/dbraw/zinc/47/95/27/623479527.db2.gz YGNOPBZYCAJWMM-UHFFFAOYSA-N -1 3 281.308 0.711 20 10 CCCDHM O=C1NC(=O)[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)C[C@H]12 ZINC000824893231 641851311 /nfs/dbraw/zinc/85/13/11/641851311.db2.gz NTVMULLMVWQMGN-KNVOCYPGSA-N -1 3 298.701 0.889 20 10 CCCDHM O=C(NCC[C@@]1(O)CCCOC1)c1cccc(O)c1[O-] ZINC000846596461 643427720 /nfs/dbraw/zinc/42/77/20/643427720.db2.gz LOFBWIQZXFKQEV-AWEZNQCLSA-N -1 3 281.308 0.759 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](N2CCOC2=O)C1 ZINC000855504042 644327041 /nfs/dbraw/zinc/32/70/41/644327041.db2.gz YYOXFTFBQFQLHV-VIFPVBQESA-N -1 3 292.291 0.765 20 10 CCCDHM C[S@@](=O)CCCNC(=O)c1cccc(O)c1[O-] ZINC000126551042 646818445 /nfs/dbraw/zinc/81/84/45/646818445.db2.gz JJLYPJKLLAPTOH-KRWDZBQOSA-N -1 3 257.311 0.596 20 10 CCCDHM O=C(NCCO[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000885725200 647873089 /nfs/dbraw/zinc/87/30/89/647873089.db2.gz UGFVTIGNQOTBSL-VIFPVBQESA-N -1 3 267.281 0.633 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](O)[C@H](CO)C1 ZINC001233332617 806043463 /nfs/dbraw/zinc/04/34/63/806043463.db2.gz RJBIQTDEFMQAOZ-KWQFWETISA-N -1 3 273.279 0.846 20 10 CCCDHM O=C(NCC[C@]1(O)CCOC1)c1cccc(O)c1[O-] ZINC000403300296 791270101 /nfs/dbraw/zinc/27/01/01/791270101.db2.gz YEOLWZHGUKYFJR-ZDUSSCGKSA-N -1 3 267.281 0.369 20 10 CCCDHM [O-]c1cc(Cl)c(F)cc1CN1C[C@H](O)[C@H](CO)C1 ZINC001237934731 806736461 /nfs/dbraw/zinc/73/64/61/806736461.db2.gz NJOKMOVUMGAEMZ-UFBFGSQYSA-N -1 3 275.707 0.970 20 10 CCCDHM Cn1cc(C(=O)NCc2c([O-])cccc2F)c(=O)[nH]c1=O ZINC001156170284 801120972 /nfs/dbraw/zinc/12/09/72/801120972.db2.gz JUGYJHTVOVQHAY-UHFFFAOYSA-N -1 3 293.254 0.261 20 10 CCCDHM N[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)C[C@H]1F ZINC001204830414 803102398 /nfs/dbraw/zinc/10/23/98/803102398.db2.gz UNQBVMGSLPJOJV-ZJUUUORDSA-N -1 3 254.261 0.571 20 10 CCCDHM Cn1cnc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC001218869346 804142417 /nfs/dbraw/zinc/14/24/17/804142417.db2.gz OIJODXKIJAPCKK-UHFFFAOYSA-N -1 3 265.248 0.982 20 10 CCCDHM CC(=O)NC[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC001148224319 840766680 /nfs/dbraw/zinc/76/66/80/840766680.db2.gz HOFPKECCGLHQIG-MRVPVSSYSA-N -1 3 266.297 0.600 20 10 CCCDHM O=C(NC1CC2(C1)CS(=O)(=O)C2)c1cccc(O)c1[O-] ZINC001148219867 840766751 /nfs/dbraw/zinc/76/67/51/840766751.db2.gz CPNCWMZVTFBSID-UHFFFAOYSA-N -1 3 297.332 0.405 20 10 CCCDHM Cc1cnc(=O)[nH]c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589769 840855108 /nfs/dbraw/zinc/85/51/08/840855108.db2.gz KPFKVNDUAZSUJB-UHFFFAOYSA-N -1 3 277.236 0.860 20 10 CCCDHM Cc1nnc(CCNC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000392646275 854092530 /nfs/dbraw/zinc/09/25/30/854092530.db2.gz JXXDJLSVSLYEFJ-UHFFFAOYSA-N -1 3 262.269 0.497 20 10 CCCDHM CN(C)c1ccc([C@H](CNC(=O)C(=O)[O-])N(C)C)cc1 ZINC001604083416 972479476 /nfs/dbraw/zinc/47/94/76/972479476.db2.gz KERRKVLRFXKREF-LBPRGKRZSA-N -1 3 279.340 0.556 20 10 CCCDHM C[C@@H]([NH2+]CC(=O)NCCC(=O)[O-])c1ccccc1[O-] ZINC001599841229 988835569 /nfs/dbraw/zinc/83/55/69/988835569.db2.gz RXTFAOBYYPPRMQ-SECBINFHSA-N -1 3 266.297 0.634 20 10 CCCDHM C[C@@H]([NH2+]CCN1CCNC1=O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593267581 994589518 /nfs/dbraw/zinc/58/95/18/994589518.db2.gz PFWTUSHNAXVWDT-SECBINFHSA-N -1 3 293.323 0.766 20 10 CCCDHM C[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)[O-])c1ccccc1[O-] ZINC001593353999 994986279 /nfs/dbraw/zinc/98/62/79/994986279.db2.gz HVGOPPCASUOWCC-BDAKNGLRSA-N -1 3 266.297 0.632 20 10 CCCDHM CCN(C)C(=O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000187259932 351536282 /nfs/dbraw/zinc/53/62/82/351536282.db2.gz APDIUXDAWXJJFA-UHFFFAOYSA-N -1 3 266.297 0.614 20 10 CCCDHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])[C@@H](C)O ZINC000191014372 351743516 /nfs/dbraw/zinc/74/35/16/351743516.db2.gz AXLOHNFQJXDPOQ-HQJQHLMTSA-N -1 3 257.261 0.543 20 10 CCCDHM COC[C@H](O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272940238 353107656 /nfs/dbraw/zinc/10/76/56/353107656.db2.gz HDGVLHCWQKDUOO-SECBINFHSA-N -1 3 269.297 0.533 20 10 CCCDHM CCn1cnnc1CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272726616 353088157 /nfs/dbraw/zinc/08/81/57/353088157.db2.gz GHENJISMCPXFBK-UHFFFAOYSA-N -1 3 276.296 0.948 20 10 CCCDHM CCN(C)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295276497 353892521 /nfs/dbraw/zinc/89/25/21/353892521.db2.gz OYURYWZUMZTEIJ-UHFFFAOYSA-N -1 3 256.277 0.918 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H](O)C2)c1[O-] ZINC000295600864 353906428 /nfs/dbraw/zinc/90/64/28/353906428.db2.gz NBQUCHKRTQIAMR-GFCCVEGCSA-N -1 3 283.299 0.927 20 10 CCCDHM CCOC(=O)COCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000296929668 200037178 /nfs/dbraw/zinc/03/71/78/200037178.db2.gz NOCPGWGOTXGWCL-UHFFFAOYSA-N -1 3 297.307 0.716 20 10 CCCDHM COCC1(O)CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000297051508 200072448 /nfs/dbraw/zinc/07/24/48/200072448.db2.gz WNRDSZIRRGMOQS-UHFFFAOYSA-N -1 3 267.281 0.240 20 10 CCCDHM COC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])OC ZINC000293832207 388988612 /nfs/dbraw/zinc/98/86/12/388988612.db2.gz ARXQGOOMUYFNCW-SECBINFHSA-N -1 3 269.253 0.016 20 10 CCCDHM CS(=O)(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179892691 389663926 /nfs/dbraw/zinc/66/39/26/389663926.db2.gz XYPPSINVTLPQBO-UHFFFAOYSA-N -1 3 288.344 0.609 20 10 CCCDHM CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126328193 260350800 /nfs/dbraw/zinc/35/08/00/260350800.db2.gz QTMAXSQHLABXJR-SNVBAGLBSA-N -1 3 278.308 0.839 20 10 CCCDHM C[C@@H]1OCC[C@]1(O)CNC(=O)c1cccc(O)c1[O-] ZINC000228706120 288920428 /nfs/dbraw/zinc/92/04/28/288920428.db2.gz ARHLIJSERUTZIK-SDBXPKJASA-N -1 3 267.281 0.368 20 10 CCCDHM C[C@H]1CCNC(=O)[C@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000193612823 290600339 /nfs/dbraw/zinc/60/03/39/290600339.db2.gz WSLAGHFRQUHVPF-UFBFGSQYSA-N -1 3 279.296 0.915 20 10 CCCDHM COC[C@@H](O)CCNC(=O)c1cccc(O)c1[O-] ZINC000229416958 329353279 /nfs/dbraw/zinc/35/32/79/329353279.db2.gz GQFZYIHCHPPGKO-QMMMGPOBSA-N -1 3 255.270 0.225 20 10 CCCDHM C[C@@H]1CS(=O)(=O)CCN1Cc1cc2c(cc1[O-])OCO2 ZINC000218867422 333137710 /nfs/dbraw/zinc/13/77/10/333137710.db2.gz UCWZAIGBKISTAC-SECBINFHSA-N -1 3 299.348 0.740 20 10 CCCDHM CCS(=O)(=O)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000275120474 521652618 /nfs/dbraw/zinc/65/26/18/521652618.db2.gz MDKRDGSGWYKGMM-QMMMGPOBSA-N -1 3 287.337 0.651 20 10 CCCDHM COCC[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000291300635 521990785 /nfs/dbraw/zinc/99/07/85/521990785.db2.gz WQFWKCFSMCWHCU-JTQLQIEISA-N -1 3 281.308 0.975 20 10 CCCDHM Cc1ccc(C(=O)N2CCNC(=O)C[C@H]2C)c([O-])c1O ZINC000365015885 526117081 /nfs/dbraw/zinc/11/70/81/526117081.db2.gz RSPVGSYNFSNLKD-SECBINFHSA-N -1 3 278.308 0.757 20 10 CCCDHM O=C(NC[C@@H]1CCC[C@H]1O)c1cccc(O)c1[O-] ZINC000126626889 526534452 /nfs/dbraw/zinc/53/44/52/526534452.db2.gz CNRVZWKQSXPQNZ-WCBMZHEXSA-N -1 3 251.282 0.989 20 10 CCCDHM O=C(NC[C@H](O)C1CCOCC1)c1cccc(O)c1[O-] ZINC000279299227 526573059 /nfs/dbraw/zinc/57/30/59/526573059.db2.gz NFIIIJIOGYUGPX-LBPRGKRZSA-N -1 3 281.308 0.615 20 10 CCCDHM COC[C@](C)(CO)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000777483004 581116765 /nfs/dbraw/zinc/11/67/65/581116765.db2.gz ARCIUTGAAQNHJX-LBPRGKRZSA-N -1 3 270.285 0.787 20 10 CCCDHM CCOC(=O)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000790772701 581197608 /nfs/dbraw/zinc/19/76/08/581197608.db2.gz HYMKVDNMXAWVCI-LLVKDONJSA-N -1 3 295.291 0.502 20 10 CCCDHM CCOC(=O)[C@@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000790932377 581202743 /nfs/dbraw/zinc/20/27/43/581202743.db2.gz CWVAFKCSXLCQKR-ZDUSSCGKSA-N -1 3 283.280 0.142 20 10 CCCDHM C[C@H](O)c1cn(C2CN(C(=O)c3cc([O-])cs3)C2)nn1 ZINC000780753031 581244346 /nfs/dbraw/zinc/24/43/46/581244346.db2.gz YRCLOFXDHHTMNI-ZETCQYMHSA-N -1 3 294.336 0.796 20 10 CCCDHM O=C(CO)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000793595926 581303991 /nfs/dbraw/zinc/30/39/91/581303991.db2.gz XAMZZDAWGGSPKF-UHFFFAOYSA-N -1 3 284.743 0.682 20 10 CCCDHM COc1cccc([O-])c1CN1CCN(C(=O)CO)CC1 ZINC000793591345 581304153 /nfs/dbraw/zinc/30/41/53/581304153.db2.gz GYWPPGSNPUBTSY-UHFFFAOYSA-N -1 3 280.324 0.037 20 10 CCCDHM C[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(O)c1[O-] ZINC000783763689 581360404 /nfs/dbraw/zinc/36/04/04/581360404.db2.gz XTDBDQVNLKXVRU-QMMMGPOBSA-N -1 3 264.281 0.401 20 10 CCCDHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](CO)C2)c([O-])c1O ZINC000787475147 581470749 /nfs/dbraw/zinc/47/07/49/581470749.db2.gz NSMTUVMPGCKOCH-ZJUUUORDSA-N -1 3 281.308 0.628 20 10 CCCDHM CC[C@H](CO)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000765260925 581507524 /nfs/dbraw/zinc/50/75/24/581507524.db2.gz HUWFTZIFQWVOKN-SNVBAGLBSA-N -1 3 284.381 0.982 20 10 CCCDHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccccc1O ZINC000769361585 581685578 /nfs/dbraw/zinc/68/55/78/581685578.db2.gz PGSXMMGQOFECOI-UHFFFAOYSA-N -1 3 276.252 0.106 20 10 CCCDHM O=C(N[C@@H]1CCCS(=O)(=O)C1)c1cc([O-])cs1 ZINC000743379228 581810262 /nfs/dbraw/zinc/81/02/62/581810262.db2.gz KAZUHACSIKOXHT-SSDOTTSWSA-N -1 3 275.351 0.761 20 10 CCCDHM CS(=O)(=O)CCCNC(=O)c1cc([O-])cs1 ZINC000732273953 581813386 /nfs/dbraw/zinc/81/33/86/581813386.db2.gz MGDKDZUKZNSSEU-UHFFFAOYSA-N -1 3 263.340 0.618 20 10 CCCDHM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000775618932 582032550 /nfs/dbraw/zinc/03/25/50/582032550.db2.gz NOSKDGSETMUTDU-NXEZZACHSA-N -1 3 298.364 0.819 20 10 CCCDHM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000803567614 614025943 /nfs/dbraw/zinc/02/59/43/614025943.db2.gz RZNXOBYJQBMKLE-SKDRFNHKSA-N -1 3 297.351 0.986 20 10 CCCDHM CC(C)[C@@H](CO)ONC(=O)c1cccc(O)c1[O-] ZINC000857285492 614105421 /nfs/dbraw/zinc/10/54/21/614105421.db2.gz DPVLULZXUPUTAV-SNVBAGLBSA-N -1 3 255.270 0.776 20 10 CCCDHM CCN1CCN(CC(=O)NCc2c([O-])cccc2F)CC1 ZINC000928704539 615155252 /nfs/dbraw/zinc/15/52/52/615155252.db2.gz BFLJTTDQIRBYBD-UHFFFAOYSA-N -1 3 295.358 0.785 20 10 CCCDHM CN(C)c1n[nH]c(NC(=O)c2cccc(O)c2[O-])n1 ZINC000804279093 616033272 /nfs/dbraw/zinc/03/32/72/616033272.db2.gz NHXUOXMLRLKABB-UHFFFAOYSA-N -1 3 263.257 0.534 20 10 CCCDHM COC(=O)[C@@]1(OC)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000862742976 616566165 /nfs/dbraw/zinc/56/61/65/616566165.db2.gz GAMAPVOLAWUJIZ-CQSZACIVSA-N -1 3 295.291 0.502 20 10 CCCDHM COC[C@H](OC)C(=O)NCc1c([O-])cccc1F ZINC000928710144 616754458 /nfs/dbraw/zinc/75/44/58/616754458.db2.gz HIDLYICPTIDNTQ-NSHDSACASA-N -1 3 257.261 0.809 20 10 CCCDHM CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000026470983 625711732 /nfs/dbraw/zinc/71/17/32/625711732.db2.gz BFDDERAIPBGTSN-UHFFFAOYSA-N -1 3 258.299 0.466 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](O)[C@H](F)C1 ZINC000890692097 624563809 /nfs/dbraw/zinc/56/38/09/624563809.db2.gz SQOKUMOYQGMTHP-RKDXNWHRSA-N -1 3 255.245 0.643 20 10 CCCDHM O=C(NCCN1CCNC1=O)NCc1c([O-])cccc1F ZINC000924047700 624724098 /nfs/dbraw/zinc/72/40/98/624724098.db2.gz WTHQLPCOZZYAGW-UHFFFAOYSA-N -1 3 296.302 0.356 20 10 CCCDHM C[C@@H](N[C@H]1CNOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925868233 631417055 /nfs/dbraw/zinc/41/70/55/631417055.db2.gz BSHPVTTWIMAHNB-SFYZADRCSA-N -1 3 253.258 0.854 20 10 CCCDHM Cc1cc([O-])c(CN2CC3(C2)NC(=O)NC3=O)cc1Cl ZINC000897902886 633253708 /nfs/dbraw/zinc/25/37/08/633253708.db2.gz SVSXAUACKMYLNF-UHFFFAOYSA-N -1 3 295.726 0.748 20 10 CCCDHM Cn1cnc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC000906120969 634961676 /nfs/dbraw/zinc/96/16/76/634961676.db2.gz YEHRVIOZFUQZJO-PLNGDYQASA-N -1 3 285.307 0.908 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCNC1=O ZINC000923161370 640044366 /nfs/dbraw/zinc/04/43/66/640044366.db2.gz BBRWZSBKXUGOIM-VIFPVBQESA-N -1 3 267.260 0.219 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)N1CCO ZINC000836868598 642714431 /nfs/dbraw/zinc/71/44/31/642714431.db2.gz OIQWMXVHMAWLFR-PHIMTYICSA-N -1 3 294.351 0.625 20 10 CCCDHM C[C@H](CCNC(=O)c1cccc(O)c1[O-])[S@@](C)=O ZINC000126553516 646818346 /nfs/dbraw/zinc/81/83/46/646818346.db2.gz KPOKNQKKJAIQCP-CVJBHZAOSA-N -1 3 271.338 0.985 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCC(=O)O1 ZINC000928711060 648659206 /nfs/dbraw/zinc/65/92/06/648659206.db2.gz ZOHQCVFIJFQVLH-SNVBAGLBSA-N -1 3 253.229 0.853 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@H](CO)C2)c1[O-] ZINC000396850725 790551104 /nfs/dbraw/zinc/55/11/04/790551104.db2.gz KRWYKEYWDUWOJO-SMDDNHRTSA-N -1 3 297.326 0.909 20 10 CCCDHM CN1CCC2(C[NH+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1=O ZINC001231452457 805805548 /nfs/dbraw/zinc/80/55/48/805805548.db2.gz APANEKWMSBWIQM-UHFFFAOYSA-N -1 3 290.319 0.755 20 10 CCCDHM NC(=O)C1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232266984 805916462 /nfs/dbraw/zinc/91/64/62/805916462.db2.gz GXAVZPNTQHHRAW-UHFFFAOYSA-N -1 3 256.689 0.668 20 10 CCCDHM NC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232261867 805914508 /nfs/dbraw/zinc/91/45/08/805914508.db2.gz RTJZDFOHDGAUGR-UHFFFAOYSA-N -1 3 285.731 0.948 20 10 CCCDHM COc1ccc(CN2C[C@H](CO)[C@H](O)C2)c([O-])c1Cl ZINC001236802095 806610392 /nfs/dbraw/zinc/61/03/92/806610392.db2.gz OJGWGCRABAANGG-NXEZZACHSA-N -1 3 287.743 0.839 20 10 CCCDHM NC(=O)CN1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464884 799910158 /nfs/dbraw/zinc/91/01/58/799910158.db2.gz FALXHNCRBCXUPW-UHFFFAOYSA-N -1 3 283.759 0.649 20 10 CCCDHM C[C@H](O)c1cn(CC(=O)NCc2c([O-])cccc2F)nn1 ZINC001156170169 801120427 /nfs/dbraw/zinc/12/04/27/801120427.db2.gz HYQLPEMJJXQYSU-QMMMGPOBSA-N -1 3 294.286 0.493 20 10 CCCDHM O=C(CNC1CCS(=O)(=O)CC1)c1ccc([O-])c(O)c1 ZINC001256378883 808517090 /nfs/dbraw/zinc/51/70/90/808517090.db2.gz HLVKRZIWAXECNV-UHFFFAOYSA-N -1 3 299.348 0.447 20 10 CCCDHM CN(C)c1cc(F)c(CN[C@@H](CCO)C(=O)[O-])cc1F ZINC001262163856 809214574 /nfs/dbraw/zinc/21/45/74/809214574.db2.gz KBQVYQNOYHIZIC-NSHDSACASA-N -1 3 288.294 0.956 20 10 CCCDHM O=C(NC[C@H]1CCCCS1(=O)=O)c1cccc(O)c1[O-] ZINC000694396738 811438441 /nfs/dbraw/zinc/43/84/41/811438441.db2.gz KUNARCLZVGYZDO-SECBINFHSA-N -1 3 299.348 0.795 20 10 CCCDHM CCN1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000709106790 819786333 /nfs/dbraw/zinc/78/63/33/819786333.db2.gz UBOFRQPWPRPAOI-SECBINFHSA-N -1 3 264.281 0.448 20 10 CCCDHM NCc1ncc(NCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC001170314487 837302008 /nfs/dbraw/zinc/30/20/08/837302008.db2.gz ANGFEBNJUMHXDI-UHFFFAOYSA-N -1 3 274.280 0.641 20 10 CCCDHM NC(=O)c1n[nH]cc1NC(=O)c1cccc(O)c1[O-] ZINC001148213103 840765166 /nfs/dbraw/zinc/76/51/66/840765166.db2.gz VGAHMIVKMHKVMO-UHFFFAOYSA-N -1 3 262.225 0.172 20 10 CCCDHM CCCC[C@H](NC(=O)c1cccc(O)c1[O-])C(N)=O ZINC001148224592 840766348 /nfs/dbraw/zinc/76/63/48/840766348.db2.gz QKIAEDHZGNDUPL-VIFPVBQESA-N -1 3 266.297 0.872 20 10 CCCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n(N)c(=O)c1 ZINC001148219945 840766441 /nfs/dbraw/zinc/76/64/41/840766441.db2.gz HICIULYEIJZSCP-UHFFFAOYSA-N -1 3 275.264 0.534 20 10 CCCDHM COCCn1cncc1CNC(=O)c1cccc(O)c1[O-] ZINC001148219926 840766712 /nfs/dbraw/zinc/76/67/12/840766712.db2.gz GKLDGLSRCOUJLT-UHFFFAOYSA-N -1 3 291.307 0.871 20 10 CCCDHM O=C(NC1(CO)CCOCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589571 840855637 /nfs/dbraw/zinc/85/56/37/840855637.db2.gz CFXZUGHMQKCCIS-UHFFFAOYSA-N -1 3 283.280 0.075 20 10 CCCDHM COC(=O)[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC001203665538 844738821 /nfs/dbraw/zinc/73/88/21/844738821.db2.gz NZAIJINMYJHVNO-NSHDSACASA-N -1 3 298.726 0.519 20 10 CCCDHM O=C(NCCCn1cncn1)c1cccc(O)c1[O-] ZINC000381431689 849759977 /nfs/dbraw/zinc/75/99/77/849759977.db2.gz WLNVQTMQBUMDIJ-UHFFFAOYSA-N -1 3 262.269 0.509 20 10 CCCDHM COCC(=O)NCCC(=O)NCc1c([O-])cccc1F ZINC001119643015 856802921 /nfs/dbraw/zinc/80/29/21/856802921.db2.gz JFUDYYFOOALVML-UHFFFAOYSA-N -1 3 284.287 0.300 20 10 CCCDHM NC(=O)[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001299255426 897302373 /nfs/dbraw/zinc/30/23/73/897302373.db2.gz XEYNYVQTYLTVTA-JGVFFNPUSA-N -1 3 264.281 0.482 20 10 CCCDHM NC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC001292698285 906323370 /nfs/dbraw/zinc/32/33/70/906323370.db2.gz MTOLQURBGLTABY-VIFPVBQESA-N -1 3 293.323 0.761 20 10 CCCDHM CNC(=O)N[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001296169802 906869297 /nfs/dbraw/zinc/86/92/97/906869297.db2.gz KSJDITZMHVKJKW-QMMMGPOBSA-N -1 3 279.296 0.241 20 10 CCCDHM C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001353580969 925877524 /nfs/dbraw/zinc/87/75/24/925877524.db2.gz FJNZEPHMXAAEJD-QPUJVOFHSA-N -1 3 295.314 0.855 20 10 CCCDHM CCOc1ccc(C[NH2+][C@H](C(=O)[O-])[C@@H](C)O)c([O-])c1 ZINC001597105893 986743878 /nfs/dbraw/zinc/74/38/78/986743878.db2.gz WJLHTXBQUJRYBC-PELKAZGASA-N -1 3 269.297 0.715 20 10 CCCDHM COc1cc([O-])c([C@H]2NC(=O)CN2C)cc1OC ZINC000271056478 353018731 /nfs/dbraw/zinc/01/87/31/353018731.db2.gz TZWFILIJEDHBCC-LBPRGKRZSA-N -1 3 252.270 0.470 20 10 CCCDHM Cc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c([O-])c1O ZINC000271240258 353032528 /nfs/dbraw/zinc/03/25/28/353032528.db2.gz DVGKASJJBBYFEI-SECBINFHSA-N -1 3 278.308 0.744 20 10 CCCDHM CN(Cc1cccc(F)c1[O-])C[C@@H](O)CN1CCOCC1 ZINC000272339675 353054166 /nfs/dbraw/zinc/05/41/66/353054166.db2.gz YMTVUWCVMJGKRN-CYBMUJFWSA-N -1 3 298.358 0.656 20 10 CCCDHM Cc1ccc(C(=O)NCc2ncn(C)n2)c([O-])c1O ZINC000273053083 353109803 /nfs/dbraw/zinc/10/98/03/353109803.db2.gz WXNVCUPCJZQXTG-UHFFFAOYSA-N -1 3 262.269 0.465 20 10 CCCDHM COCCN1CN(Cc2cc(F)ccc2[O-])CC1=O ZINC000283103751 353481454 /nfs/dbraw/zinc/48/14/54/353481454.db2.gz TUYJUWGGHYZQSW-UHFFFAOYSA-N -1 3 268.288 0.779 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H](O)C2)c1[O-] ZINC000295600867 353906467 /nfs/dbraw/zinc/90/64/67/353906467.db2.gz NBQUCHKRTQIAMR-LBPRGKRZSA-N -1 3 283.299 0.927 20 10 CCCDHM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000195151911 389117200 /nfs/dbraw/zinc/11/72/00/389117200.db2.gz DHUBYESTRKCNKM-OIBJUYFYSA-N -1 3 264.281 0.352 20 10 CCCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000275009791 389508446 /nfs/dbraw/zinc/50/84/46/389508446.db2.gz WWUZMBXLUARTNV-SECBINFHSA-N -1 3 299.348 0.747 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C)C(=O)N(C)C)c([O-])c1O ZINC000182438473 389708028 /nfs/dbraw/zinc/70/80/28/389708028.db2.gz ZMXCGYNMBLTTJO-MRVPVSSYSA-N -1 3 266.297 0.613 20 10 CCCDHM Cc1nncn1CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182476395 389709348 /nfs/dbraw/zinc/70/93/48/389709348.db2.gz XZSDARGWFYWYDR-UHFFFAOYSA-N -1 3 276.296 0.736 20 10 CCCDHM CC(=O)NCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179389978 389656256 /nfs/dbraw/zinc/65/62/56/389656256.db2.gz UIYNQCBZPFDTPA-UHFFFAOYSA-N -1 3 252.270 0.272 20 10 CCCDHM CN(CC(=O)N1CCOCC1)Cc1cc(F)ccc1[O-] ZINC000179886355 389664555 /nfs/dbraw/zinc/66/45/55/389664555.db2.gz IZIPUIBKHCYQKZ-UHFFFAOYSA-N -1 3 282.315 0.822 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C)C[S@@](C)=O)c([O-])c1O ZINC000181700023 389691132 /nfs/dbraw/zinc/69/11/32/389691132.db2.gz ZWHNLQPUPAHCTP-NTCNTBNZSA-N -1 3 271.338 0.903 20 10 CCCDHM CNC(=O)NC[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000529643565 390848958 /nfs/dbraw/zinc/84/89/58/390848958.db2.gz QNHNTAVWQPTWPM-GFCCVEGCSA-N -1 3 279.340 0.522 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)S1(=O)=O ZINC000291362885 296924897 /nfs/dbraw/zinc/92/48/97/296924897.db2.gz VMDAQURCZTUYCU-DTORHVGOSA-N -1 3 299.348 0.745 20 10 CCCDHM C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cccc(O)c1[O-] ZINC000189921701 264338855 /nfs/dbraw/zinc/33/88/55/264338855.db2.gz XSJMKNQIPXOGBM-DCXZOGHSSA-N -1 3 271.338 0.937 20 10 CCCDHM [O-]c1c(Cl)cccc1CN1C[C@H](O)C[C@H]1CO ZINC000370399488 267316863 /nfs/dbraw/zinc/31/68/63/267316863.db2.gz UTDGTWWPCKGIQF-VHSXEESVSA-N -1 3 257.717 0.973 20 10 CCCDHM COCCN(Cc1cccc(F)c1[O-])[C@@H](C)C(N)=O ZINC000272277452 328199238 /nfs/dbraw/zinc/19/92/38/328199238.db2.gz MFUHFCPRRAUKCN-VIFPVBQESA-N -1 3 270.304 0.854 20 10 CCCDHM COC(=O)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000279868573 523265904 /nfs/dbraw/zinc/26/59/04/523265904.db2.gz FISSERITRKVLDM-SSDOTTSWSA-N -1 3 253.254 0.779 20 10 CCCDHM COC(=O)[C@@H](CF)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000292510721 523576880 /nfs/dbraw/zinc/57/68/80/523576880.db2.gz HOXQCKCGRAUWRQ-MRVPVSSYSA-N -1 3 271.244 0.647 20 10 CCCDHM COC(=O)[C@H](NCc1cc2c(cc1[O-])OCO2)[C@H](C)O ZINC000276436366 523928156 /nfs/dbraw/zinc/92/81/56/523928156.db2.gz IEEUPGOOZPKBOL-JVXZTZIISA-N -1 3 283.280 0.133 20 10 CCCDHM C[C@H](CN1CCOCC1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000279265821 524349664 /nfs/dbraw/zinc/34/96/64/524349664.db2.gz IXPNOIUNGOERGA-LLVKDONJSA-N -1 3 294.351 0.891 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC(CO)CC1 ZINC000126243693 526770260 /nfs/dbraw/zinc/77/02/60/526770260.db2.gz IETXXEPXUPLFLN-UHFFFAOYSA-N -1 3 251.282 0.942 20 10 CCCDHM CNS(=O)(=O)CCN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000784055710 581165477 /nfs/dbraw/zinc/16/54/77/581165477.db2.gz KAGROZVEYUJSDN-ZETCQYMHSA-N -1 3 294.323 0.870 20 10 CCCDHM O=C1NC(=O)N2CCN(Cc3cc(F)ccc3[O-])C[C@H]12 ZINC000761216696 581897343 /nfs/dbraw/zinc/89/73/43/581897343.db2.gz NVALCHHUTWNVLY-SNVBAGLBSA-N -1 3 279.271 0.267 20 10 CCCDHM COC1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449502 582106764 /nfs/dbraw/zinc/10/67/64/582106764.db2.gz ZTAWPVYYZXWTET-LBPRGKRZSA-N -1 3 251.282 0.649 20 10 CCCDHM CC(=O)N1CCO[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000830180263 613433175 /nfs/dbraw/zinc/43/31/75/613433175.db2.gz KAJAPXVLHCULPS-CYBMUJFWSA-N -1 3 296.298 0.395 20 10 CCCDHM CCC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000819671647 614605972 /nfs/dbraw/zinc/60/59/72/614605972.db2.gz MNLHMDRAQXADKP-UHFFFAOYSA-N -1 3 264.281 0.750 20 10 CCCDHM CCON(C)C(=O)CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000846062595 615336736 /nfs/dbraw/zinc/33/67/36/615336736.db2.gz ILTZWUOLDBNAKP-UHFFFAOYSA-N -1 3 283.284 0.800 20 10 CCCDHM CN(C1CC1)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452257 616039289 /nfs/dbraw/zinc/03/92/89/616039289.db2.gz JGRJKIVPUFBWBH-UHFFFAOYSA-N -1 3 274.317 0.960 20 10 CCCDHM CN(CC(=O)N1CCCC1)C(=O)c1cccc(O)c1[O-] ZINC000126288930 616043130 /nfs/dbraw/zinc/04/31/30/616043130.db2.gz XCEOAZMJSKHQCW-UHFFFAOYSA-N -1 3 278.308 0.792 20 10 CCCDHM COC(=O)[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000839873576 616704102 /nfs/dbraw/zinc/70/41/02/616704102.db2.gz WHBAPEGTCGPEPR-OCAPTIKFSA-N -1 3 265.265 0.779 20 10 CCCDHM CCCN(CC(N)=O)C(=O)c1cccc(O)c1[O-] ZINC000310956264 623604604 /nfs/dbraw/zinc/60/46/04/623604604.db2.gz NFYKEQQIZGVXDI-UHFFFAOYSA-N -1 3 252.270 0.435 20 10 CCCDHM C[S@@](=O)CCNC(=O)NCc1c([O-])cccc1F ZINC000920316342 638133527 /nfs/dbraw/zinc/13/35/27/638133527.db2.gz NMGVAOBUMCYPGT-GOSISDBHSA-N -1 3 274.317 0.709 20 10 CCCDHM O=S(=O)(NCc1c([O-])cccc1F)NC1CC1 ZINC000921452313 638185010 /nfs/dbraw/zinc/18/50/10/638185010.db2.gz LFYLXHVYBJUSJT-UHFFFAOYSA-N -1 3 260.290 0.618 20 10 CCCDHM [O-]c1cc(Br)ccc1CN1C[C@@H](O)[C@@H](O)C1 ZINC000824829774 641847615 /nfs/dbraw/zinc/84/76/15/641847615.db2.gz KTMULSMFPIXDCR-PHIMTYICSA-N -1 3 288.141 0.692 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CSCC(=O)N1 ZINC000830179702 642239575 /nfs/dbraw/zinc/23/95/75/642239575.db2.gz BVSPEGWWKUTYHZ-VIFPVBQESA-N -1 3 284.312 0.379 20 10 CCCDHM C[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])CS1(=O)=O ZINC000855704579 644354117 /nfs/dbraw/zinc/35/41/17/644354117.db2.gz WYXPSQVMRFCHJB-DTWKUNHWSA-N -1 3 299.348 0.793 20 10 CCCDHM O=C(NCCCn1ccnn1)c1cccc(O)c1[O-] ZINC000126537872 646818732 /nfs/dbraw/zinc/81/87/32/646818732.db2.gz BHGXAGVZHMEYSD-UHFFFAOYSA-N -1 3 262.269 0.509 20 10 CCCDHM C[C@@H](CS(C)(=O)=O)C(=O)NCc1c([O-])cccc1F ZINC000928705857 648657860 /nfs/dbraw/zinc/65/78/60/648657860.db2.gz OFDVXOKVAZREGE-QMMMGPOBSA-N -1 3 289.328 0.828 20 10 CCCDHM O=C(C[C@@H]1CC(=O)N1)NCc1c([O-])cccc1F ZINC000928706207 648658252 /nfs/dbraw/zinc/65/82/52/648658252.db2.gz OVLDTLGQCRXANN-SSDOTTSWSA-N -1 3 252.245 0.426 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCOC(=O)N1 ZINC000928705074 648658291 /nfs/dbraw/zinc/65/82/91/648658291.db2.gz DFGRTVXOKOGGGG-SECBINFHSA-N -1 3 268.244 0.646 20 10 CCCDHM COCCN1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231450479 805804226 /nfs/dbraw/zinc/80/42/26/805804226.db2.gz RRVMRNWFGKQNBV-UHFFFAOYSA-N -1 3 294.351 0.854 20 10 CCCDHM NC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560521 805816630 /nfs/dbraw/zinc/81/66/30/805816630.db2.gz MSZVMLGMICQPQS-SNVBAGLBSA-N -1 3 278.308 0.788 20 10 CCCDHM NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560521 805816639 /nfs/dbraw/zinc/81/66/39/805816639.db2.gz MSZVMLGMICQPQS-SNVBAGLBSA-N -1 3 278.308 0.788 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](CO)[C@H](O)C1 ZINC001233332563 806043966 /nfs/dbraw/zinc/04/39/66/806043966.db2.gz PEXDNZZGONAWQJ-QPUJVOFHSA-N -1 3 273.279 0.846 20 10 CCCDHM O=C(NCc1ccc(O)cc1O)c1cnncc1[O-] ZINC001142532967 800129013 /nfs/dbraw/zinc/12/90/13/800129013.db2.gz AUTGLARGVNRHSP-UHFFFAOYSA-N -1 3 261.237 0.523 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1CCOC[C@H](O)C1 ZINC001142509127 815068947 /nfs/dbraw/zinc/06/89/47/815068947.db2.gz XVFPYEWCLZHTMV-SECBINFHSA-N -1 3 259.252 0.864 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C1(CO)CC1 ZINC000696023243 815922794 /nfs/dbraw/zinc/92/27/94/815922794.db2.gz YCLINQSPYAHGMF-QMMMGPOBSA-N -1 3 251.282 0.989 20 10 CCCDHM Cc1nocc1S(=O)(=O)[N-]Cc1ccc(O)cc1O ZINC001212224178 817003238 /nfs/dbraw/zinc/00/32/38/817003238.db2.gz ZHXNHOJGULKIIA-UHFFFAOYSA-N -1 3 284.293 0.873 20 10 CCCDHM CCN=c1ccc(N)cn1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582235 840851255 /nfs/dbraw/zinc/85/12/55/840851255.db2.gz GNHFEOJCTNOGOG-UHFFFAOYSA-N -1 3 289.291 0.796 20 10 CCCDHM CC(C)C[C@H](CO)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586890 840852406 /nfs/dbraw/zinc/85/24/06/840852406.db2.gz YMIQVRZCPFKYHR-SECBINFHSA-N -1 3 269.297 0.940 20 10 CCCDHM COC(CN(C)C(=O)c1cc(O)c([O-])c(O)c1)OC ZINC001148584060 840854068 /nfs/dbraw/zinc/85/40/68/840854068.db2.gz MJFSPDKCCAFVFO-UHFFFAOYSA-N -1 3 271.269 0.494 20 10 CCCDHM Cc1nnc(CNC(=O)c2cc(O)c([O-])c(O)c2)o1 ZINC001148590435 840856618 /nfs/dbraw/zinc/85/66/18/840856618.db2.gz JYGJSHYEPCAMOG-UHFFFAOYSA-N -1 3 265.225 0.425 20 10 CCCDHM CC(C)(CS(C)(=O)=O)NC(=O)c1cccc(O)c1[O-] ZINC000393641522 854124224 /nfs/dbraw/zinc/12/42/24/854124224.db2.gz LJLDICAZBNJLIN-UHFFFAOYSA-N -1 3 287.337 0.651 20 10 CCCDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(O)cc2O)nn1 ZINC001309599979 908469358 /nfs/dbraw/zinc/46/93/58/908469358.db2.gz DDQPCYSEUKEAFU-UHFFFAOYSA-N -1 3 295.320 0.675 20 10 CCCDHM O=C(NC[C@H]1CC[C@@H](O)C1)c1cccc(O)c1[O-] ZINC000191214575 351750503 /nfs/dbraw/zinc/75/05/03/351750503.db2.gz RTRFGZCIGZJMRM-DTWKUNHWSA-N -1 3 251.282 0.989 20 10 CCCDHM Cc1ccc(C(=O)NCC2(O)CCOCC2)c([O-])c1O ZINC000272721005 353088184 /nfs/dbraw/zinc/08/81/84/353088184.db2.gz HHTHXVSZIKHDSB-UHFFFAOYSA-N -1 3 281.308 0.678 20 10 CCCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2COC[C@H]2O)c1[O-] ZINC000286019707 353562394 /nfs/dbraw/zinc/56/23/94/353562394.db2.gz PUWZBWPOMYDSAX-CHWSQXEVSA-N -1 3 283.299 0.925 20 10 CCCDHM COc1c([O-])c(CN2CCOC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000294825418 353890254 /nfs/dbraw/zinc/89/02/54/353890254.db2.gz PLCUSYHRRKFAIN-JTQLQIEISA-N -1 3 298.295 0.502 20 10 CCCDHM [O-]c1ccc(Cl)cc1CN1C[C@H](O)C[C@H]1CO ZINC000364325956 357108471 /nfs/dbraw/zinc/10/84/71/357108471.db2.gz SMYUTTJSLGBGPX-WDEREUQCSA-N -1 3 257.717 0.973 20 10 CCCDHM Cc1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c([O-])c1O ZINC000267619142 389373013 /nfs/dbraw/zinc/37/30/13/389373013.db2.gz UGZIQOFDRJSJKL-ZDUSSCGKSA-N -1 3 299.348 0.713 20 10 CCCDHM COCCN(CC(=O)N(C)C)Cc1ccccc1[O-] ZINC000179559642 389658988 /nfs/dbraw/zinc/65/89/88/389658988.db2.gz IAXQSRSYQQSIOM-UHFFFAOYSA-N -1 3 266.341 0.929 20 10 CCCDHM NC(=O)C1=NO[C@H](CNCc2c([O-])cccc2Cl)C1 ZINC000276466228 328218561 /nfs/dbraw/zinc/21/85/61/328218561.db2.gz MDNQBIARYYZYNO-ZETCQYMHSA-N -1 3 283.715 0.765 20 10 CCCDHM CC(=O)c1cc(F)cc(CN(C)CC(N)=O)c1[O-] ZINC000050133597 518285419 /nfs/dbraw/zinc/28/54/19/518285419.db2.gz IBODNBMIRIYYGP-UHFFFAOYSA-N -1 3 254.261 0.651 20 10 CCCDHM CCNC(=O)[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278503155 521745452 /nfs/dbraw/zinc/74/54/52/521745452.db2.gz OJBTZLOINJHUES-QMMMGPOBSA-N -1 3 297.311 0.923 20 10 CCCDHM COC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000279079639 522504007 /nfs/dbraw/zinc/50/40/07/522504007.db2.gz DWYMJQYEJZDMPQ-VIFPVBQESA-N -1 3 267.281 0.585 20 10 CCCDHM CN1CCN(Cc2cc3c(cc2[O-])OCO3)CC1=O ZINC000127399538 523909062 /nfs/dbraw/zinc/90/90/62/523909062.db2.gz PRNODTJXFXROFG-UHFFFAOYSA-N -1 3 264.281 0.395 20 10 CCCDHM C[C@@H](CN1CCOCC1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000279265825 524624325 /nfs/dbraw/zinc/62/43/25/524624325.db2.gz IXPNOIUNGOERGA-NSHDSACASA-N -1 3 294.351 0.891 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(=O)N(CC2CC2)C1 ZINC000279426176 526770319 /nfs/dbraw/zinc/77/03/19/526770319.db2.gz KNYNORAKUOUKQR-UHFFFAOYSA-N -1 3 276.292 0.750 20 10 CCCDHM O=C1NC(=O)N2CCN(Cc3cc(Cl)ccc3[O-])C[C@@H]12 ZINC000779433378 581185323 /nfs/dbraw/zinc/18/53/23/581185323.db2.gz XWXNKXLVJITFPU-JTQLQIEISA-N -1 3 295.726 0.782 20 10 CCCDHM COCCO[N-]C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779531812 581188911 /nfs/dbraw/zinc/18/89/11/581188911.db2.gz YTQWZJINWPGEQN-HWKANZROSA-N -1 3 253.254 0.805 20 10 CCCDHM COCCN1CCN(Cc2c([O-])cccc2OC)CC1=O ZINC000779604877 581194027 /nfs/dbraw/zinc/19/40/27/581194027.db2.gz PGRWNBGFPGHALV-UHFFFAOYSA-N -1 3 294.351 0.691 20 10 CCCDHM COc1cccc([O-])c1CN1C[C@@H](C)O[C@@H](CO)C1 ZINC000787417520 581470012 /nfs/dbraw/zinc/47/00/12/581470012.db2.gz OIBNXNQRTVXMRH-GHMZBOCLSA-N -1 3 267.325 0.982 20 10 CCCDHM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cc([O-])cs1 ZINC000752821594 581518070 /nfs/dbraw/zinc/51/80/70/581518070.db2.gz XDOYTHHSTXMOBK-ZETCQYMHSA-N -1 3 266.322 0.947 20 10 CCCDHM NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000760147616 581846042 /nfs/dbraw/zinc/84/60/42/581846042.db2.gz IJRMQPDUSDZBCZ-HTQZYQBOSA-N -1 3 270.310 0.216 20 10 CCCDHM Cc1ccc(O)c(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000761216036 581897169 /nfs/dbraw/zinc/89/71/69/581897169.db2.gz KTHRGQHHYAVOCA-NSHDSACASA-N -1 3 275.308 0.437 20 10 CCCDHM CC(C)OC[C@@H](CO)N(C)C(=O)c1cccc(O)c1[O-] ZINC000762543586 581950683 /nfs/dbraw/zinc/95/06/83/581950683.db2.gz XBKOOMQRYFXFDK-SNVBAGLBSA-N -1 3 283.324 0.956 20 10 CCCDHM CCOC(=O)[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000774017541 581953001 /nfs/dbraw/zinc/95/30/01/581953001.db2.gz PTHJCKDBJUYWCE-AWEZNQCLSA-N -1 3 297.307 0.450 20 10 CCCDHM COc1c([O-])c(CN(C)[C@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000774916294 582002303 /nfs/dbraw/zinc/00/23/03/582002303.db2.gz YXZOCOZGQPJFSV-JTQLQIEISA-N -1 3 295.295 0.629 20 10 CCCDHM CC(=O)N1C[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]2C1 ZINC000881692959 613670603 /nfs/dbraw/zinc/67/06/03/613670603.db2.gz MMJUKLHOKMXUTR-PHIMTYICSA-N -1 3 290.319 0.648 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@H]2C(N)=O)c1[O-] ZINC000854114270 614249160 /nfs/dbraw/zinc/24/91/60/614249160.db2.gz ZXDRILMWPQJJDN-PWSUYJOCSA-N -1 3 296.298 0.154 20 10 CCCDHM CCNC(=O)CC(=O)NCc1c([O-])cccc1F ZINC000928708484 615457958 /nfs/dbraw/zinc/45/79/58/615457958.db2.gz MFKSWRXXTDHVEM-UHFFFAOYSA-N -1 3 254.261 0.674 20 10 CCCDHM CN(C)C(=O)C1(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000840501775 615946931 /nfs/dbraw/zinc/94/69/31/615946931.db2.gz YDKSLSUAQITCKE-UHFFFAOYSA-N -1 3 264.281 0.448 20 10 CCCDHM CN1C(=O)CN(CC(=O)NCc2c([O-])cccc2F)C1=O ZINC000928709566 616134597 /nfs/dbraw/zinc/13/45/97/616134597.db2.gz JPAYCUZDHZKLHK-UHFFFAOYSA-N -1 3 295.270 0.042 20 10 CCCDHM COC(=O)[C@@H](F)CNC(=O)NCc1c([O-])cccc1F ZINC000924053394 616989148 /nfs/dbraw/zinc/98/91/48/616989148.db2.gz HWQIQBWYHPHFGE-VIFPVBQESA-N -1 3 288.250 0.842 20 10 CCCDHM COC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(O)c1[O-] ZINC000846435842 616990437 /nfs/dbraw/zinc/99/04/37/616990437.db2.gz LKVXNUYEQHUKKA-DTWKUNHWSA-N -1 3 267.281 0.320 20 10 CCCDHM C[C@@H](NS(C)(=O)=O)C(=O)NCc1c([O-])cccc1F ZINC000928706238 632547630 /nfs/dbraw/zinc/54/76/30/632547630.db2.gz TTXXVBIGHGMPTE-SSDOTTSWSA-N -1 3 290.316 0.085 20 10 CCCDHM [O-]c1ccc(F)cc1CN1CCn2nnc(CO)c2C1 ZINC000813333320 641030460 /nfs/dbraw/zinc/03/04/60/641030460.db2.gz OKHZSZBDXXIBLB-UHFFFAOYSA-N -1 3 278.287 0.631 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(CN2CCOCC2)C1 ZINC000854589784 644230138 /nfs/dbraw/zinc/23/01/38/644230138.db2.gz XRHUHKKQILLCOR-UHFFFAOYSA-N -1 3 292.335 0.502 20 10 CCCDHM O=C(NC1CC(N2CCOCC2)C1)c1cccc(O)c1[O-] ZINC000862108119 644974509 /nfs/dbraw/zinc/97/45/09/644974509.db2.gz SWSWWELKZBXNLM-UHFFFAOYSA-N -1 3 292.335 0.691 20 10 CCCDHM O=C(NC[C@H]1COCCO1)c1cccc(O)c1[O-] ZINC000126276052 646710817 /nfs/dbraw/zinc/71/08/17/646710817.db2.gz WRERJZBSPHTJCL-QMMMGPOBSA-N -1 3 253.254 0.243 20 10 CCCDHM C[C@@H]1CO[C@H](CO)CN1C(=O)c1cccc(O)c1[O-] ZINC000126495681 646808075 /nfs/dbraw/zinc/80/80/75/646808075.db2.gz NSRPGLJXLYQKQJ-BDAKNGLRSA-N -1 3 267.281 0.320 20 10 CCCDHM NC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452247 805807520 /nfs/dbraw/zinc/80/75/20/805807520.db2.gz INKAPUUFDUHTQO-SNVBAGLBSA-N -1 3 264.281 0.398 20 10 CCCDHM NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452247 805807528 /nfs/dbraw/zinc/80/75/28/805807528.db2.gz INKAPUUFDUHTQO-SNVBAGLBSA-N -1 3 264.281 0.398 20 10 CCCDHM CN1CCN(Cc2cc(C(=O)[O-])ccc2O)CCC1=O ZINC001231563946 805817706 /nfs/dbraw/zinc/81/77/06/805817706.db2.gz MHMJQRODKVMXNJ-UHFFFAOYSA-N -1 3 278.308 0.755 20 10 CCCDHM CN(Cc1c([O-])ccc(F)c1Cl)C[C@H](O)CO ZINC001237124259 806641023 /nfs/dbraw/zinc/64/10/23/806641023.db2.gz NHTRLWDZGJIKRW-ZETCQYMHSA-N -1 3 263.696 0.970 20 10 CCCDHM COC[C@H](CCNC(=O)c1cccc(O)c1[O-])OC ZINC000694455879 811461572 /nfs/dbraw/zinc/46/15/72/811461572.db2.gz ORMARIYWKARSRU-VIFPVBQESA-N -1 3 269.297 0.879 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCS1(=O)=O ZINC000707414594 819740822 /nfs/dbraw/zinc/74/08/22/819740822.db2.gz PATSULOQQYAJRA-MRVPVSSYSA-N -1 3 285.321 0.357 20 10 CCCDHM CN1CC2(CN(Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273286063 821548095 /nfs/dbraw/zinc/54/80/95/821548095.db2.gz YCUZYNXBVNDYSC-UHFFFAOYSA-N -1 3 280.299 0.574 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](F)C[C@@H](CO)C1 ZINC001148212470 840761948 /nfs/dbraw/zinc/76/19/48/840761948.db2.gz YZHNJPWNSROWFQ-RKDXNWHRSA-N -1 3 269.272 0.890 20 10 CCCDHM COC(=O)[C@H]1C[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001148224857 840766423 /nfs/dbraw/zinc/76/64/23/840766423.db2.gz XPQSSUDXSXZMFV-APPZFPTMSA-N -1 3 265.265 0.637 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@H](F)C[C@@H](CO)C1 ZINC001148582494 840848632 /nfs/dbraw/zinc/84/86/32/840848632.db2.gz IQIHQLHVIZFCQB-VXNVDRBHSA-N -1 3 285.271 0.596 20 10 CCCDHM O=C(NC[C@@H](O)c1ccco1)c1cc(O)c([O-])c(O)c1 ZINC001148582108 840849721 /nfs/dbraw/zinc/84/97/21/840849721.db2.gz XAVRUBPFTLMEOU-SNVBAGLBSA-N -1 3 279.248 0.860 20 10 CCCDHM CC(C)[C@@](C)(NC(=O)c1cc(O)c([O-])c(O)c1)C(N)=O ZINC001148590183 840857176 /nfs/dbraw/zinc/85/71/76/840857176.db2.gz YGLATXNVVIJCTI-CYBMUJFWSA-N -1 3 282.296 0.433 20 10 CCCDHM O=C(NC1COCCOC1)c1cccc(O)c1[O-] ZINC000381259794 849748786 /nfs/dbraw/zinc/74/87/86/849748786.db2.gz OTNBHSURNRAGAT-UHFFFAOYSA-N -1 3 253.254 0.243 20 10 CCCDHM Cn1cc(NC(=O)c2cccc(O)c2[O-])c(C(N)=O)n1 ZINC001305698676 908213321 /nfs/dbraw/zinc/21/33/21/908213321.db2.gz LATMWODYZUDKHH-UHFFFAOYSA-N -1 3 276.252 0.183 20 10 CCCDHM COC(=O)[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCOC1 ZINC001305953099 908226837 /nfs/dbraw/zinc/22/68/37/908226837.db2.gz QHYQCTXNXILLGR-CQSZACIVSA-N -1 3 295.291 0.407 20 10 CCCDHM C[C@H](O)C[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC001447512158 930647701 /nfs/dbraw/zinc/64/77/01/930647701.db2.gz YSKXVYYXDXCUDP-UWVGGRQHSA-N -1 3 281.308 0.710 20 10 CCCDHM CS(=O)(=O)NCCNCc1cccc(Cl)c1[O-] ZINC000124639732 350103783 /nfs/dbraw/zinc/10/37/83/350103783.db2.gz ALHUOIFHSCFSPL-UHFFFAOYSA-N -1 3 278.761 0.684 20 10 CCCDHM CC1(C)COCCN1CCNC(=O)c1cccc(O)c1[O-] ZINC000193017620 351807964 /nfs/dbraw/zinc/80/79/64/351807964.db2.gz CUTHUNXRUKNUEH-UHFFFAOYSA-N -1 3 294.351 0.938 20 10 CCCDHM COC[C@@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272717659 353087625 /nfs/dbraw/zinc/08/76/25/353087625.db2.gz GJWGFEZDVNCKOM-QMMMGPOBSA-N -1 3 255.270 0.143 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H](O)C2CCOCC2)c([O-])c1O ZINC000272806064 353095774 /nfs/dbraw/zinc/09/57/74/353095774.db2.gz ZKQBXHNIOQGUJC-GFCCVEGCSA-N -1 3 295.335 0.924 20 10 CCCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c([O-])c1O ZINC000267622623 389372092 /nfs/dbraw/zinc/37/20/92/389372092.db2.gz UZBRURIDOKYOBU-SECBINFHSA-N -1 3 299.348 0.665 20 10 CCCDHM NS(=O)(=O)[C@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000372734394 389456398 /nfs/dbraw/zinc/45/63/98/389456398.db2.gz BXIVSQXTCQZAFO-NSHDSACASA-N -1 3 288.344 0.784 20 10 CCCDHM CNS(=O)(=O)[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000376168098 389730902 /nfs/dbraw/zinc/73/09/02/389730902.db2.gz VBVFVWNMHQXCPZ-NSHDSACASA-N -1 3 288.344 0.655 20 10 CCCDHM O=C(CCNC(=O)c1cccc(O)c1[O-])N1CCOCC1 ZINC000126537186 260354029 /nfs/dbraw/zinc/35/40/29/260354029.db2.gz GWWCARXCOCDJMM-UHFFFAOYSA-N -1 3 294.307 0.077 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1O ZINC000182557647 261943784 /nfs/dbraw/zinc/94/37/84/261943784.db2.gz GIIOHJKGOOVDCF-SECBINFHSA-N -1 3 290.319 0.899 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](N2CCCC2=O)C1 ZINC000276823390 263038378 /nfs/dbraw/zinc/03/83/78/263038378.db2.gz VIWMXSSOPVNMPS-SNVBAGLBSA-N -1 3 290.319 0.935 20 10 CCCDHM C[C@H](C[S@](C)=O)N(C)C(=O)c1cccc(O)c1[O-] ZINC000189921681 264338843 /nfs/dbraw/zinc/33/88/43/264338843.db2.gz XSJMKNQIPXOGBM-CVJBHZAOSA-N -1 3 271.338 0.937 20 10 CCCDHM COC[C@H](CO)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000279800873 522684295 /nfs/dbraw/zinc/68/42/95/522684295.db2.gz NMOCYYAWUFGRQS-VIFPVBQESA-N -1 3 286.284 0.406 20 10 CCCDHM COCCCN(CCO)C(=O)c1cccc(O)c1[O-] ZINC000276037151 523247821 /nfs/dbraw/zinc/24/78/21/523247821.db2.gz SGPUVEFBLOBBGA-UHFFFAOYSA-N -1 3 269.297 0.569 20 10 CCCDHM COC(=O)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000279868576 523328436 /nfs/dbraw/zinc/32/84/36/523328436.db2.gz FISSERITRKVLDM-ZETCQYMHSA-N -1 3 253.254 0.779 20 10 CCCDHM C[C@@H](O)CN(C(=O)c1cccc(O)c1[O-])[C@H](C)CO ZINC000280494357 525775325 /nfs/dbraw/zinc/77/53/25/525775325.db2.gz PACSUHLWQHIMMU-RKDXNWHRSA-N -1 3 269.297 0.302 20 10 CCCDHM Cc1ccc(C(=O)N2CC[C@](C)(C(N)=O)C2)c([O-])c1O ZINC000280209438 526131283 /nfs/dbraw/zinc/13/12/83/526131283.db2.gz XODXLQCWPVOGDD-AWEZNQCLSA-N -1 3 278.308 0.744 20 10 CCCDHM C[C@H]1CN(CCNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000790615795 581191910 /nfs/dbraw/zinc/19/19/10/581191910.db2.gz VPWGOYMANUJSBU-JTQLQIEISA-N -1 3 280.324 0.548 20 10 CCCDHM CCn1cnnc1CCNC(=O)c1cccc(O)c1[O-] ZINC000790665417 581193081 /nfs/dbraw/zinc/19/30/81/581193081.db2.gz DOVWIAMJYNDFFI-UHFFFAOYSA-N -1 3 276.296 0.682 20 10 CCCDHM O=C(NC[C@H](O)c1cccnc1)c1cccc(O)c1[O-] ZINC000790896953 581201541 /nfs/dbraw/zinc/20/15/41/581201541.db2.gz JULQCAHNRZGZTL-LBPRGKRZSA-N -1 3 274.276 0.956 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C)CC(N)=O)c([O-])c1O ZINC000780955482 581252098 /nfs/dbraw/zinc/25/20/98/581252098.db2.gz STNVBMUMCKPZLS-SSDOTTSWSA-N -1 3 252.270 0.400 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H]2CCCN(C)C2=O)c([O-])c1O ZINC000780958013 581252544 /nfs/dbraw/zinc/25/25/44/581252544.db2.gz CKELYSSJYFAAMY-SNVBAGLBSA-N -1 3 278.308 0.757 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H]2CCCS2(=O)=O)c([O-])c1O ZINC000780984576 581254210 /nfs/dbraw/zinc/25/42/10/581254210.db2.gz YEWUMODWKSNOGW-SECBINFHSA-N -1 3 299.348 0.713 20 10 CCCDHM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000735118560 581624893 /nfs/dbraw/zinc/62/48/93/581624893.db2.gz PYSHRVRKOYLETN-SSDOTTSWSA-N -1 3 290.366 0.217 20 10 CCCDHM CS(=O)(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731864733 581785054 /nfs/dbraw/zinc/78/50/54/581785054.db2.gz BGXINOAERKQIRK-UHFFFAOYSA-N -1 3 290.366 0.171 20 10 CCCDHM Nc1ccnc(CNC(=O)c2cc([O-])cs2)n1 ZINC000771046433 581786377 /nfs/dbraw/zinc/78/63/77/581786377.db2.gz HXWRIPNSYHEPJH-UHFFFAOYSA-N -1 3 250.283 0.756 20 10 CCCDHM C[C@]1(NC(=O)c2cc([O-])cs2)CCS(=O)(=O)C1 ZINC000732266388 581811568 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/nfs/dbraw/zinc/08/56/22/582085622.db2.gz RTZWIXCMWXBFGN-UHFFFAOYSA-N -1 3 276.252 0.032 20 10 CCCDHM CCN(CC(=O)OC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768451323 582106807 /nfs/dbraw/zinc/10/68/07/582106807.db2.gz MRKJLFKGNYDHIW-GFCCVEGCSA-N -1 3 281.308 0.813 20 10 CCCDHM CN(C)C(=O)CNC(=O)NCc1c([O-])cccc1F ZINC000913908709 615967413 /nfs/dbraw/zinc/96/74/13/615967413.db2.gz FMPARRHTQPQJRR-UHFFFAOYSA-N -1 3 269.276 0.419 20 10 CCCDHM COC(=O)[C@@](C)(CO)NCc1cc(F)ccc1[O-] ZINC000894974857 616533982 /nfs/dbraw/zinc/53/39/82/616533982.db2.gz HYXOKLTYMFIHSP-GFCCVEGCSA-N -1 3 257.261 0.545 20 10 CCCDHM CO[C@H]1CCCN(NC(=O)c2cccc(O)c2[O-])C1 ZINC000928418785 617097091 /nfs/dbraw/zinc/09/70/91/617097091.db2.gz NBKLGOOZTXSHEW-VIFPVBQESA-N -1 3 266.297 0.853 20 10 CCCDHM C[C@H](NS(C)(=O)=O)C(=O)NCc1c([O-])cccc1F ZINC000928706247 632546623 /nfs/dbraw/zinc/54/66/23/632546623.db2.gz TTXXVBIGHGMPTE-ZETCQYMHSA-N -1 3 290.316 0.085 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2COC[C@H](C1)O2 ZINC000801542140 633569132 /nfs/dbraw/zinc/56/91/32/633569132.db2.gz QIJSOTYHXVHMLX-DTORHVGOSA-N -1 3 265.265 0.338 20 10 CCCDHM NC(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])o1 ZINC000187162478 640123246 /nfs/dbraw/zinc/12/32/46/640123246.db2.gz UZCVPPRUQCOWKN-UHFFFAOYSA-N -1 3 276.248 0.720 20 10 CCCDHM O=C(NCCS(=O)(=O)C1CC1)c1cccc(O)c1[O-] ZINC000839863005 640533043 /nfs/dbraw/zinc/53/30/43/640533043.db2.gz XYMCQGMEIWDSNY-UHFFFAOYSA-N -1 3 285.321 0.405 20 10 CCCDHM O=CN1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000847369690 643510360 /nfs/dbraw/zinc/51/03/60/643510360.db2.gz NIRNYJHTXBVNHV-UHFFFAOYSA-N -1 3 264.281 0.402 20 10 CCCDHM Cn1cnnc1N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000848925603 643689623 /nfs/dbraw/zinc/68/96/23/643689623.db2.gz YHMUFVBLSHIJAM-UHFFFAOYSA-N -1 3 291.330 0.982 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1C ZINC000126413021 646759453 /nfs/dbraw/zinc/75/94/53/646759453.db2.gz MQJRTRQFBPHPQG-VIFPVBQESA-N -1 3 250.298 0.874 20 10 CCCDHM Cn1cnn(CCC(=O)NCc2c([O-])cccc2F)c1=O ZINC000928706179 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CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001231447962 805804601 /nfs/dbraw/zinc/80/46/01/805804601.db2.gz ZBWGNEGUIYWGAH-WCQYABFASA-N -1 3 281.308 0.266 20 10 CCCDHM COc1cc([O-])c(CN2CC(C(N)=O)C2)cc1Cl ZINC001232269901 805916975 /nfs/dbraw/zinc/91/69/75/805916975.db2.gz MRFOWBANMZSRNG-UHFFFAOYSA-N -1 3 270.716 0.971 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1C[C@H](CO)[C@H](O)C1 ZINC001233332797 806042088 /nfs/dbraw/zinc/04/20/88/806042088.db2.gz XVTYJEGEELROLP-RDDDGLTNSA-N -1 3 259.252 0.455 20 10 CCCDHM NC(=O)N[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708443536 819774731 /nfs/dbraw/zinc/77/47/31/819774731.db2.gz PAXZFCFSIMBMTR-VIFPVBQESA-N -1 3 271.267 0.913 20 10 CCCDHM N=c1ccc(F)c(N)n1C(=O)c1cccc(O)c1[O-] ZINC001148212745 840761394 /nfs/dbraw/zinc/76/13/94/840761394.db2.gz JRRZRGSISZHKAJ-UHFFFAOYSA-N -1 3 263.228 0.789 20 10 CCCDHM C[C@@]1(CO)CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1O ZINC001148212412 840762808 /nfs/dbraw/zinc/76/28/08/840762808.db2.gz 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Cn1cnc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC000906120970 634961634 /nfs/dbraw/zinc/96/16/34/634961634.db2.gz YEHRVIOZFUQZJO-SNAWJCMRSA-N -1 3 285.307 0.908 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](CO)O1 ZINC000229968651 637140344 /nfs/dbraw/zinc/14/03/44/637140344.db2.gz AUSKHRACQRJVFA-IUCAKERBSA-N -1 3 267.281 0.320 20 10 CCCDHM O=C(NCCNC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000186876132 639849102 /nfs/dbraw/zinc/84/91/02/639849102.db2.gz GQXKEIFUDADYIZ-UHFFFAOYSA-N -1 3 290.275 0.851 20 10 CCCDHM O=C(NCC[C@]1(O)CCCOC1)c1cccc(O)c1[O-] ZINC000846596462 643427902 /nfs/dbraw/zinc/42/79/02/643427902.db2.gz LOFBWIQZXFKQEV-CQSZACIVSA-N -1 3 281.308 0.759 20 10 CCCDHM O=C(N[C@@H]1CCCS(=O)(=O)C1)c1cccc(O)c1[O-] ZINC000126424391 646762731 /nfs/dbraw/zinc/76/27/31/646762731.db2.gz PTGHWNPMQQJNFG-MRVPVSSYSA-N -1 3 285.321 0.405 20 10 CCCDHM Cn1ncc(CCC(=O)NCc2c([O-])cccc2F)n1 ZINC000928706218 648659657 /nfs/dbraw/zinc/65/96/57/648659657.db2.gz OXGSTHVQRCQSAS-UHFFFAOYSA-N -1 3 278.287 0.909 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ZINC001231566293 805818334 /nfs/dbraw/zinc/81/83/34/805818334.db2.gz WTODVBYHRPUNKM-CMPLNLGQSA-N -1 3 290.319 0.658 20 10 CCCDHM CNC(=O)N[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001154805097 800849174 /nfs/dbraw/zinc/84/91/74/800849174.db2.gz YEWOIPATWJTCLS-SECBINFHSA-N -1 3 293.323 0.631 20 10 CCCDHM CN1CC[C@]2(CCCN2C(=O)c2cccc(O)c2[O-])C1=O ZINC001269687649 813472351 /nfs/dbraw/zinc/47/23/51/813472351.db2.gz YSIUAMYTROFCGN-OAHLLOKOSA-N -1 3 290.319 0.935 20 10 CCCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCN(C)C1=O ZINC000690293770 817816534 /nfs/dbraw/zinc/81/65/34/817816534.db2.gz BAKWQLMBEHUTKD-VIFPVBQESA-N -1 3 264.281 0.401 20 10 CCCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCN(C)C1=O ZINC000690293762 817816992 /nfs/dbraw/zinc/81/69/92/817816992.db2.gz BAKWQLMBEHUTKD-SECBINFHSA-N -1 3 264.281 0.401 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(n2ccnc2)C1 ZINC000707352036 819735553 /nfs/dbraw/zinc/73/55/53/819735553.db2.gz CHOVAEATACTMII-UHFFFAOYSA-N -1 3 259.265 0.991 20 10 CCCDHM CC(=O)N1CC[C@@H](NCC(=O)c2ccc([O-])c(O)c2)C1 ZINC001169510069 836314175 /nfs/dbraw/zinc/31/41/75/836314175.db2.gz JOBDDXMCTNHKIF-LLVKDONJSA-N -1 3 278.308 0.491 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(=O)N(C2CC2)C(=O)C1 ZINC001148212287 840761871 /nfs/dbraw/zinc/76/18/71/840761871.db2.gz WAEYRZHSNCEMEL-UHFFFAOYSA-N -1 3 290.275 0.071 20 10 CCCDHM C[C@]1(CO)CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1O ZINC001148212414 840762330 /nfs/dbraw/zinc/76/23/30/840762330.db2.gz YUUMTNNKOQZOJB-SMDDNHRTSA-N -1 3 281.308 0.303 20 10 CCCDHM COC[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001148590301 840855414 /nfs/dbraw/zinc/85/54/14/840855414.db2.gz GSUMJIQISMFMBM-VIFPVBQESA-N -1 3 267.281 0.958 20 10 CCCDHM O=C1CN(C2CN(Cc3cc(Cl)ccc3[O-])C2)CCN1 ZINC001203664150 844732599 /nfs/dbraw/zinc/73/25/99/844732599.db2.gz OPPFERYYZPMXFA-UHFFFAOYSA-N -1 3 295.770 0.662 20 10 CCCDHM CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000387173224 853960206 /nfs/dbraw/zinc/96/02/06/853960206.db2.gz BPXKFMKBRSWTQY-JTQLQIEISA-N -1 3 280.324 0.988 20 10 CCCDHM COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccccc1[O-] ZINC000187569748 351547478 /nfs/dbraw/zinc/54/74/78/351547478.db2.gz NDMYXSDPBAHBRA-MNOVXSKESA-N -1 3 251.282 0.500 20 10 CCCDHM COCCN(CC(=O)OC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000271284379 353033234 /nfs/dbraw/zinc/03/32/34/353033234.db2.gz OSSOIEZCIUDDPQ-UHFFFAOYSA-N -1 3 297.307 0.668 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C)CS(C)(=O)=O)c([O-])c1O ZINC000272745702 353090691 /nfs/dbraw/zinc/09/06/91/353090691.db2.gz NAWJAWZCZCFKQY-MRVPVSSYSA-N -1 3 287.337 0.569 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](C)C(=O)NCCF)c([O-])c1O ZINC000282542564 353433445 /nfs/dbraw/zinc/43/34/45/353433445.db2.gz QDBHEUKMJXJYKP-QMMMGPOBSA-N -1 3 284.287 0.610 20 10 CCCDHM O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cccc(O)c1[O-] ZINC000288014879 353681749 /nfs/dbraw/zinc/68/17/49/353681749.db2.gz CISVEDBOTPDKFM-SECBINFHSA-N -1 3 299.348 0.652 20 10 CCCDHM CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272720886 290531435 /nfs/dbraw/zinc/53/14/35/290531435.db2.gz HEDZZFVCSLOILP-VIFPVBQESA-N -1 3 280.324 0.860 20 10 CCCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H](O)[C@H](O)C1 ZINC000294672754 199127468 /nfs/dbraw/zinc/12/74/68/199127468.db2.gz MHRQZHNXLRHZRP-GHMZBOCLSA-N -1 3 261.680 0.722 20 10 CCCDHM COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(F)ccc1[O-] ZINC000188611377 388934086 /nfs/dbraw/zinc/93/40/86/388934086.db2.gz HZWJSEMRARRVPL-WDEREUQCSA-N -1 3 269.272 0.640 20 10 CCCDHM CC[C@H]1C(=O)NCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000182395170 389707839 /nfs/dbraw/zinc/70/78/39/389707839.db2.gz JGDIWANFISWJFP-JTQLQIEISA-N -1 3 278.308 0.757 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[S@](=O)C1 ZINC000277403979 263041034 /nfs/dbraw/zinc/04/10/34/263041034.db2.gz FAXZAKQZNMRUIN-HOGDKLEQSA-N -1 3 283.349 0.938 20 10 CCCDHM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280586078 295547305 /nfs/dbraw/zinc/54/73/05/295547305.db2.gz XCHSZPLYJBXDFA-SECBINFHSA-N -1 3 299.348 0.747 20 10 CCCDHM [O-]c1ccc(F)cc1CN1CCN(CCO)CC1 ZINC000183243825 518203316 /nfs/dbraw/zinc/20/33/16/518203316.db2.gz QHVJNXVLCOJFNP-UHFFFAOYSA-N -1 3 254.305 0.641 20 10 CCCDHM COCCN(CC(=O)N(C)C)C(=O)c1cccc(O)c1[O-] ZINC000279361922 523643137 /nfs/dbraw/zinc/64/31/37/523643137.db2.gz STWSXRCSGUDSCY-UHFFFAOYSA-N -1 3 296.323 0.275 20 10 CCCDHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OCO3)CCS1(=O)=O ZINC000265669486 524988628 /nfs/dbraw/zinc/98/86/28/524988628.db2.gz AVYDQDFCDQFNIF-SECBINFHSA-N -1 3 299.348 0.740 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@]2(O)CCO[C@H]2C)c([O-])c1O ZINC000279642713 526176542 /nfs/dbraw/zinc/17/65/42/526176542.db2.gz ZFLQILIBHSILOW-XPTSAGLGSA-N -1 3 281.308 0.676 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H]2CCC(=O)NC2)c([O-])c1O ZINC000267540989 526199764 /nfs/dbraw/zinc/19/97/64/526199764.db2.gz ADLAQCKPYCXZDM-MRVPVSSYSA-N -1 3 264.281 0.415 20 10 CCCDHM [O-]c1ccc(Br)cc1CN1C[C@H](O)[C@@H](O)C1 ZINC000278128014 526341559 /nfs/dbraw/zinc/34/15/59/526341559.db2.gz BSFYHRGUAHXMHN-QWRGUYRKSA-N -1 3 288.141 0.692 20 10 CCCDHM O=C(NCCOC[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000790681678 581193966 /nfs/dbraw/zinc/19/39/66/581193966.db2.gz YNUUBPQWZGJPMB-JTQLQIEISA-N -1 3 281.308 0.881 20 10 CCCDHM COCCOC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000790785470 581198219 /nfs/dbraw/zinc/19/82/19/581198219.db2.gz LYDWXOBHLJODTD-VIFPVBQESA-N -1 3 269.297 0.879 20 10 CCCDHM O=C(N[C@H]1CC[S@@](=O)C1)c1cccc(O)c1[O-] ZINC000790808129 581199272 /nfs/dbraw/zinc/19/92/72/581199272.db2.gz OIFRQCBEYODNOW-BWKAKNAASA-N -1 3 255.295 0.349 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CN(C)CCO1 ZINC000790898468 581202043 /nfs/dbraw/zinc/20/20/43/581202043.db2.gz XBEAVWDIDBPUSA-SKDRFNHKSA-N -1 3 280.324 0.547 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](n2cncn2)C1 ZINC000790947361 581203098 /nfs/dbraw/zinc/20/30/98/581203098.db2.gz ZMACQNSUMBLOCE-SECBINFHSA-N -1 3 274.280 0.777 20 10 CCCDHM COC(=O)C1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000790947379 581203135 /nfs/dbraw/zinc/20/31/35/581203135.db2.gz ZWKXJKLXJIQNOH-UHFFFAOYSA-N -1 3 265.265 0.781 20 10 CCCDHM COCC[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000780954860 581252207 /nfs/dbraw/zinc/25/22/07/581252207.db2.gz AFPJXPHQGJKAEA-CQSZACIVSA-N -1 3 283.324 0.924 20 10 CCCDHM CCOc1ccc(CN2CCO[C@@H](C(=O)NC)C2)c([O-])c1 ZINC000781926289 581280649 /nfs/dbraw/zinc/28/06/49/581280649.db2.gz MDRRKIRKFMJEQO-CQSZACIVSA-N -1 3 294.351 0.738 20 10 CCCDHM O=C(CCc1nnc[nH]1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784081826 581372434 /nfs/dbraw/zinc/37/24/34/581372434.db2.gz BURLMVNSKHFGDL-UHFFFAOYSA-N -1 3 291.263 0.575 20 10 CCCDHM O=C(CCc1nc[nH]n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784081826 581372438 /nfs/dbraw/zinc/37/24/38/581372438.db2.gz BURLMVNSKHFGDL-UHFFFAOYSA-N -1 3 291.263 0.575 20 10 CCCDHM COCCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCOC1 ZINC000787849312 581480193 /nfs/dbraw/zinc/48/01/93/581480193.db2.gz LWEOFDDMMYWCMW-SNVBAGLBSA-N -1 3 281.308 0.975 20 10 CCCDHM NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000743325317 581807804 /nfs/dbraw/zinc/80/78/04/581807804.db2.gz XKMJEBFRAVXUCN-QMMMGPOBSA-N -1 3 290.366 0.347 20 10 CCCDHM NC(=O)Cc1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000776328102 582069241 /nfs/dbraw/zinc/06/92/41/582069241.db2.gz YKXQIBFKPOLFEU-UHFFFAOYSA-N -1 3 293.304 0.834 20 10 CCCDHM COc1ccc(N2CC[C@@H](NC(=O)c3cn[n-]n3)C2)cc1 ZINC000855230420 617267982 /nfs/dbraw/zinc/26/79/82/617267982.db2.gz DAYJFFBIDBNNEP-SNVBAGLBSA-N -1 3 287.323 0.822 20 10 CCCDHM CC(=O)N[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928708261 613952316 /nfs/dbraw/zinc/95/23/16/613952316.db2.gz FCUVCBIFEGKGBY-ZETCQYMHSA-N -1 3 254.261 0.672 20 10 CCCDHM CCN1CCOC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928704799 615165443 /nfs/dbraw/zinc/16/54/43/615165443.db2.gz DBKHDMJWXMEXKI-GFCCVEGCSA-N -1 3 282.315 0.868 20 10 CCCDHM CN1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])CC1=O ZINC000819622961 616270532 /nfs/dbraw/zinc/27/05/32/616270532.db2.gz YHQMKDULBQYSDH-SECBINFHSA-N -1 3 278.308 0.696 20 10 CCCDHM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000899675294 616454057 /nfs/dbraw/zinc/45/40/57/616454057.db2.gz XPQSSUDXSXZMFV-VXNVDRBHSA-N -1 3 265.265 0.637 20 10 CCCDHM CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1c([O-])cccc1F ZINC000928709712 616476112 /nfs/dbraw/zinc/47/61/12/616476112.db2.gz DOWWKILIDMHFLH-OTYXRUKQSA-N -1 3 282.315 0.603 20 10 CCCDHM COC(=O)[C@H](CCF)NC(=O)c1cccc(O)c1[O-] ZINC000846425780 616595603 /nfs/dbraw/zinc/59/56/03/616595603.db2.gz LXMGSYZPVJDBBS-QMMMGPOBSA-N -1 3 271.244 0.729 20 10 CCCDHM COC[C@H]1C(=O)N[C@@H](c2cc(F)ccc2[O-])N1C ZINC000840828197 616762295 /nfs/dbraw/zinc/76/22/95/616762295.db2.gz GCEPHQNXWHBKTM-GXSJLCMTSA-N -1 3 254.261 0.607 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](C2OCCO2)C1 ZINC000927991883 631654413 /nfs/dbraw/zinc/65/44/13/631654413.db2.gz KFIPRAWXHDSPQU-VIFPVBQESA-N -1 3 279.292 0.933 20 10 CCCDHM C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(F)c(F)c1[O-] ZINC000895325138 632055058 /nfs/dbraw/zinc/05/50/58/632055058.db2.gz OHIILADZODZBDI-NOZJJQNGSA-N -1 3 273.279 0.988 20 10 CCCDHM O=C(NCCCc1nc[nH]n1)c1c(F)ccc(O)c1[O-] ZINC000846645818 643434011 /nfs/dbraw/zinc/43/40/11/643434011.db2.gz DFIDZTRSWHVECY-UHFFFAOYSA-N -1 3 280.259 0.718 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Cn2ccnn2)C1 ZINC000855238565 644297698 /nfs/dbraw/zinc/29/76/98/644297698.db2.gz SBZMYIINAJKQNF-JTQLQIEISA-N -1 3 288.307 0.852 20 10 CCCDHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(O)c1[O-] ZINC000126330281 646728900 /nfs/dbraw/zinc/72/89/00/646728900.db2.gz HKMLUMSEQQGRCE-RKDXNWHRSA-N -1 3 278.308 0.824 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1C ZINC000126412778 646759493 /nfs/dbraw/zinc/75/94/93/646759493.db2.gz MQJRTRQFBPHPQG-SECBINFHSA-N -1 3 250.298 0.874 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCNC1=O ZINC000928705633 648658418 /nfs/dbraw/zinc/65/84/18/648658418.db2.gz KLDWKOAMEHQJJW-SSDOTTSWSA-N -1 3 252.245 0.284 20 10 CCCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1 ZINC001231563488 805817771 /nfs/dbraw/zinc/81/77/71/805817771.db2.gz AWOXINOTWPMKJA-JQWIXIFHSA-N -1 3 290.319 0.658 20 10 CCCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1 ZINC001231563488 805817781 /nfs/dbraw/zinc/81/77/81/805817781.db2.gz AWOXINOTWPMKJA-JQWIXIFHSA-N -1 3 290.319 0.658 20 10 CCCDHM NC(=O)[C@@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269560678 813420151 /nfs/dbraw/zinc/42/01/51/813420151.db2.gz ZKQUMHHCTSQZBC-JTQLQIEISA-N -1 3 290.319 0.825 20 10 CCCDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001269687130 813472343 /nfs/dbraw/zinc/47/23/43/813472343.db2.gz UFRWMFCXVWCFKG-GHMZBOCLSA-N -1 3 290.319 0.933 20 10 CCCDHM COC(=O)N[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126528757 816995447 /nfs/dbraw/zinc/99/54/47/816995447.db2.gz DLJFFAMUXYSXDJ-QMMMGPOBSA-N -1 3 280.280 0.668 20 10 CCCDHM COC(=O)N1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC000169902571 836002927 /nfs/dbraw/zinc/00/29/27/836002927.db2.gz SNHYUXXRBXKJJD-UHFFFAOYSA-N -1 3 296.279 0.328 20 10 CCCDHM C[C@]1(CO)CN(C(=O)c2cc(O)c([O-])c(O)c2)CC[C@H]1O ZINC001148583289 840848467 /nfs/dbraw/zinc/84/84/67/840848467.db2.gz XCHOQLWJBZJAPC-BXUZGUMPSA-N -1 3 297.307 0.009 20 10 CCCDHM COCCN1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148583087 840849309 /nfs/dbraw/zinc/84/93/09/840849309.db2.gz SEXIQEOUHQRYKL-UHFFFAOYSA-N -1 3 296.323 0.208 20 10 CCCDHM CC(C)(O)[C@H](F)CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590463 840856259 /nfs/dbraw/zinc/85/62/59/840856259.db2.gz LCSVDJCDJRUANJ-SECBINFHSA-N -1 3 273.260 0.642 20 10 CCCDHM O=C(NC[C@H]1CCOC1)c1cc(O)c([O-])c(O)c1 ZINC001148589612 840857347 /nfs/dbraw/zinc/85/73/47/840857347.db2.gz DRYONXBJCRMSGW-SSDOTTSWSA-N -1 3 253.254 0.570 20 10 CCCDHM NC(=O)c1[nH]ncc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193210153 846022219 /nfs/dbraw/zinc/02/22/19/846022219.db2.gz VFMDCWYZPAUNEW-UHFFFAOYSA-N -1 3 296.670 0.826 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ncn(C)n1 ZINC000392166312 854083879 /nfs/dbraw/zinc/08/38/79/854083879.db2.gz WEGQICXZHQNBGX-SSDOTTSWSA-N -1 3 262.269 0.717 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCOC1=O ZINC001351369270 925411735 /nfs/dbraw/zinc/41/17/35/925411735.db2.gz STTZTMVAGGMTMV-VIFPVBQESA-N -1 3 268.244 0.646 20 10 CCCDHM CC(=O)C[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC001447629182 930672960 /nfs/dbraw/zinc/67/29/60/930672960.db2.gz OQEBUPQLCBMLCW-JTQLQIEISA-N -1 3 279.292 0.918 20 10 CCCDHM CCOc1ccc(C[NH2+][C@H](COC)C(=O)[O-])c([O-])c1 ZINC001597101497 986718179 /nfs/dbraw/zinc/71/81/79/986718179.db2.gz WDMNZELHYMGDJY-LLVKDONJSA-N -1 3 269.297 0.980 20 10 CCCDHM CNC(=O)CCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000187202152 351534002 /nfs/dbraw/zinc/53/40/02/351534002.db2.gz ZKZIZPUKXFBDSL-UHFFFAOYSA-N -1 3 266.297 0.696 20 10 CCCDHM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cccc(O)c1[O-] ZINC000188434900 351595198 /nfs/dbraw/zinc/59/51/98/351595198.db2.gz FRIHBECAUOFTEI-NSHDSACASA-N -1 3 293.367 0.464 20 10 CCCDHM CNC(=O)N1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272733963 353089424 /nfs/dbraw/zinc/08/94/24/353089424.db2.gz KOCUOFRVEANIKL-UHFFFAOYSA-N -1 3 293.323 0.503 20 10 CCCDHM CS(=O)(=O)NCCNCc1cc(Cl)c(F)cc1[O-] ZINC000294202911 353878286 /nfs/dbraw/zinc/87/82/86/353878286.db2.gz KYBUPEZEWXCYQI-UHFFFAOYSA-N -1 3 296.751 0.824 20 10 CCCDHM COC(=O)[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272791789 389469822 /nfs/dbraw/zinc/46/98/22/389469822.db2.gz XAUBDPRSZKGSSP-SNVBAGLBSA-N -1 3 295.291 0.420 20 10 CCCDHM C[C@H]1CC(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000373849945 389522255 /nfs/dbraw/zinc/52/22/55/389522255.db2.gz JGDKWMCUFMPBNU-QMMMGPOBSA-N -1 3 264.281 0.448 20 10 CCCDHM CNS(=O)(=O)[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000376163461 389730295 /nfs/dbraw/zinc/73/02/95/389730295.db2.gz BITGVHZFGBCFFC-SNVBAGLBSA-N -1 3 288.344 0.655 20 10 CCCDHM C[C@H]1C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000126412027 264218770 /nfs/dbraw/zinc/21/87/70/264218770.db2.gz TWTZPFSIBMNKDE-ZETCQYMHSA-N -1 3 250.254 0.058 20 10 CCCDHM CC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000279310028 519580749 /nfs/dbraw/zinc/58/07/49/519580749.db2.gz OFWLDVIKKNINAS-VIFPVBQESA-N -1 3 278.308 0.791 20 10 CCCDHM CN(C)C(=O)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126251358 523983977 /nfs/dbraw/zinc/98/39/77/523983977.db2.gz SXVOAVKPKBLMNB-UHFFFAOYSA-N -1 3 252.270 0.258 20 10 CCCDHM Cc1ccc(C(=O)N2CC(CC(N)=O)C2)c([O-])c1O ZINC000280695201 526080505 /nfs/dbraw/zinc/08/05/05/526080505.db2.gz WZGJNIQVVHIWTK-UHFFFAOYSA-N -1 3 264.281 0.354 20 10 CCCDHM O=C(NC[C@@H](O)c1cccnc1)c1cccc(O)c1[O-] ZINC000790896946 581201731 /nfs/dbraw/zinc/20/17/31/581201731.db2.gz JULQCAHNRZGZTL-GFCCVEGCSA-N -1 3 274.276 0.956 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CC(n2ccnn2)C1 ZINC000780752495 581243972 /nfs/dbraw/zinc/24/39/72/581243972.db2.gz OAMIKSQEJJGPAQ-UHFFFAOYSA-N -1 3 250.283 0.742 20 10 CCCDHM CNC(=O)[C@H]1CN(Cc2c([O-])cccc2OC)CCO1 ZINC000781926748 581280676 /nfs/dbraw/zinc/28/06/76/581280676.db2.gz QDOBIBIGAZLHMM-CYBMUJFWSA-N -1 3 280.324 0.348 20 10 CCCDHM O=C(N[C@H](CO)Cc1ccncc1)c1cccc(O)c1[O-] ZINC000793948980 581322439 /nfs/dbraw/zinc/32/24/39/581322439.db2.gz NTKUIZLXWIJZQN-NSHDSACASA-N -1 3 288.303 0.826 20 10 CCCDHM C[C@@H](NCC(=O)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000756490171 581668694 /nfs/dbraw/zinc/66/86/94/581668694.db2.gz MBBAVQIQYZOYGK-LLVKDONJSA-N -1 3 295.358 0.956 20 10 CCCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC(N)=O ZINC000731910016 581789622 /nfs/dbraw/zinc/78/96/22/581789622.db2.gz MMWBZDKTNPFBMM-QMMMGPOBSA-N -1 3 286.309 0.830 20 10 CCCDHM CCOc1ccc(CN2CCN(CCO)CC2)c([O-])c1 ZINC000771928061 581834789 /nfs/dbraw/zinc/83/47/89/581834789.db2.gz MKQRQKFCCVTJGW-UHFFFAOYSA-N -1 3 280.368 0.901 20 10 CCCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])CCS1(=O)=O ZINC000760787161 581872611 /nfs/dbraw/zinc/87/26/11/581872611.db2.gz CEPZLEJIWMZIBR-VIFPVBQESA-N -1 3 299.348 0.747 20 10 CCCDHM COC(=O)C[C@@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000748339066 581969216 /nfs/dbraw/zinc/96/92/16/581969216.db2.gz KBRNDPKYWYYZBM-SSDOTTSWSA-N -1 3 287.293 0.288 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CCS1(=O)=O ZINC000738542970 582060412 /nfs/dbraw/zinc/06/04/12/582060412.db2.gz DFTRQTOEDOFYMZ-SSDOTTSWSA-N -1 3 275.351 0.713 20 10 CCCDHM O=S1(=O)CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768453310 582106882 /nfs/dbraw/zinc/10/68/82/582106882.db2.gz VDMUVBJTDSAXJP-GFCCVEGCSA-N -1 3 299.348 0.048 20 10 CCCDHM CC(=O)NCC[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC000819769820 613737449 /nfs/dbraw/zinc/73/74/49/613737449.db2.gz AZEPATNVURWOPW-VIFPVBQESA-N -1 3 298.314 0.943 20 10 CCCDHM CC(=O)NCC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC000819769820 613737452 /nfs/dbraw/zinc/73/74/52/613737452.db2.gz AZEPATNVURWOPW-VIFPVBQESA-N -1 3 298.314 0.943 20 10 CCCDHM CC1(C)CNC(=O)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000912642652 614689297 /nfs/dbraw/zinc/68/92/97/614689297.db2.gz XRJSMRRWRFNOQO-JTQLQIEISA-N -1 3 264.281 0.352 20 10 CCCDHM CN(C[C@@H]1COCCO1)C(=O)c1cccc(O)c1[O-] ZINC000855682279 616146721 /nfs/dbraw/zinc/14/67/21/616146721.db2.gz NMBVVWFEIGGXIX-SECBINFHSA-N -1 3 267.281 0.585 20 10 CCCDHM CN1C[C@H](C(=O)NCc2c([O-])cccc2F)NC1=O ZINC000928706016 616413111 /nfs/dbraw/zinc/41/31/11/616413111.db2.gz NQWCEIXFVTVTJE-SECBINFHSA-N -1 3 267.260 0.171 20 10 CCCDHM COC(=O)c1cc(C(=O)OCC(=O)C(C)=O)c[n-]1 ZINC000814530785 616828979 /nfs/dbraw/zinc/82/89/79/616828979.db2.gz ZDATUFUBGVQGGB-UHFFFAOYSA-N -1 3 253.210 0.116 20 10 CCCDHM CON1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000854857163 617090678 /nfs/dbraw/zinc/09/06/78/617090678.db2.gz XFSROUOOFJQOJN-UHFFFAOYSA-N -1 3 252.270 0.417 20 10 CCCDHM CCNC(=O)C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000313210824 625757337 /nfs/dbraw/zinc/75/73/37/625757337.db2.gz OUIDANLUONNUDC-UHFFFAOYSA-N -1 3 266.297 0.742 20 10 CCCDHM C[C@@]1(CO)C[C@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895323731 632056262 /nfs/dbraw/zinc/05/62/62/632056262.db2.gz GTZSDCJVIVOTOO-GWCFXTLKSA-N -1 3 273.279 0.988 20 10 CCCDHM O=CN1CCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928705030 632545514 /nfs/dbraw/zinc/54/55/14/632545514.db2.gz CHLXAQVTXLILGF-NSHDSACASA-N -1 3 266.272 0.768 20 10 CCCDHM O=C(NCC[C@]1(O)CCOC1)NCc1c([O-])cccc1F ZINC000923071418 640016173 /nfs/dbraw/zinc/01/61/73/640016173.db2.gz WCKDTTKQIOAPLE-AWEZNQCLSA-N -1 3 298.314 0.872 20 10 CCCDHM Cc1cc([O-])c(CN2CCN(CC(N)=O)CC2)cc1Cl ZINC000824542485 641831580 /nfs/dbraw/zinc/83/15/80/641831580.db2.gz TYNDKOFEYLYYHN-UHFFFAOYSA-N -1 3 297.786 0.957 20 10 CCCDHM C[C@@H]1CN(CCNC(=O)c2cccc(O)c2[O-])[C@H](C)CO1 ZINC000855413012 644315149 /nfs/dbraw/zinc/31/51/49/644315149.db2.gz YXEPXXVPNLXWAU-GHMZBOCLSA-N -1 3 294.351 0.937 20 10 CCCDHM Cc1ccc(C(=O)NOCCN2CCCC2=O)c([O-])c1O ZINC000856041917 644385714 /nfs/dbraw/zinc/38/57/14/644385714.db2.gz LWVFBGRXUQRHCH-UHFFFAOYSA-N -1 3 294.307 0.690 20 10 CCCDHM [O-]c1ccc(Cl)c(F)c1CN(CCO)CCO ZINC000862429849 644999645 /nfs/dbraw/zinc/99/96/45/644999645.db2.gz LLAITPQJWDTSAS-UHFFFAOYSA-N -1 3 263.696 0.971 20 10 CCCDHM O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(O)c1[O-] ZINC000126376986 646745313 /nfs/dbraw/zinc/74/53/13/646745313.db2.gz RZGIUPKYQOFFNX-QMMMGPOBSA-N -1 3 285.321 0.262 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC(OCCO)CC1 ZINC000126508118 646811601 /nfs/dbraw/zinc/81/16/01/646811601.db2.gz MRMOIBPUNQEHLL-UHFFFAOYSA-N -1 3 281.308 0.711 20 10 CCCDHM C[C@@H]1CS(=O)(=O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000886817010 648019030 /nfs/dbraw/zinc/01/90/30/648019030.db2.gz DCUOAXBSJNMYLN-SECBINFHSA-N -1 3 299.348 0.747 20 10 CCCDHM O=C(CN1CCCC1=O)NCc1c([O-])cccc1F ZINC000928707855 648659012 /nfs/dbraw/zinc/65/90/12/648659012.db2.gz DDBFTRNYSBOBFJ-UHFFFAOYSA-N -1 3 266.272 0.770 20 10 CCCDHM O=C(CCN1CCOC1=O)NCc1c([O-])cccc1F ZINC000928712705 648659181 /nfs/dbraw/zinc/65/91/81/648659181.db2.gz WUJXGSJXQPCAOU-UHFFFAOYSA-N -1 3 282.271 0.990 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1O ZINC000159265277 649317468 /nfs/dbraw/zinc/31/74/68/649317468.db2.gz RGZOQQAZGTUHCC-WCBMZHEXSA-N -1 3 251.282 0.941 20 10 CCCDHM NC(=O)c1[nH]nc2c1CCN(Cc1c([O-])cccc1F)C2 ZINC001277484717 805725472 /nfs/dbraw/zinc/72/54/72/805725472.db2.gz SEIRNEFOPHHVOQ-UHFFFAOYSA-N -1 3 290.298 0.912 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001231447288 805804962 /nfs/dbraw/zinc/80/49/62/805804962.db2.gz RDETYGHYSFXMGF-NWDGAFQWSA-N -1 3 281.308 0.266 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001231447288 805804969 /nfs/dbraw/zinc/80/49/69/805804969.db2.gz RDETYGHYSFXMGF-NWDGAFQWSA-N -1 3 281.308 0.266 20 10 CCCDHM CN(C)C(=O)C1CN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231452487 805807066 /nfs/dbraw/zinc/80/70/66/805807066.db2.gz PXWNEJDJIUJMQW-UHFFFAOYSA-N -1 3 278.308 0.610 20 10 CCCDHM CN(C)C(=O)C1C[NH+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452487 805807074 /nfs/dbraw/zinc/80/70/74/805807074.db2.gz PXWNEJDJIUJMQW-UHFFFAOYSA-N -1 3 278.308 0.610 20 10 CCCDHM COC(=O)[C@@H]1CNCCN1Cc1c([O-])ccc(F)c1F ZINC001236056406 806539862 /nfs/dbraw/zinc/53/98/62/806539862.db2.gz HDPJDNMDOGSFEJ-JTQLQIEISA-N -1 3 286.278 0.617 20 10 CCCDHM CN(Cc1c([O-])ccc(F)c1Cl)C[C@@H](O)CO ZINC001237124255 806640882 /nfs/dbraw/zinc/64/08/82/806640882.db2.gz NHTRLWDZGJIKRW-SSDOTTSWSA-N -1 3 263.696 0.970 20 10 CCCDHM NC(=O)c1cnc2n1CCN(Cc1cc(F)ccc1[O-])C2 ZINC001278255037 806791980 /nfs/dbraw/zinc/79/19/80/806791980.db2.gz MQFSQQZIUDHZQJ-UHFFFAOYSA-N -1 3 290.298 0.843 20 10 CCCDHM O=C(N[C@H]1Cc2cccnc2NC1=O)c1cccc(O)c1[O-] ZINC001153853619 800677863 /nfs/dbraw/zinc/67/78/63/800677863.db2.gz VJZVDILLIJOXAE-JTQLQIEISA-N -1 3 299.286 0.786 20 10 CCCDHM O=C(CNc1ncc2c(n1)CNC2)c1ccc([O-])c(O)c1 ZINC001159276183 801783418 /nfs/dbraw/zinc/78/34/18/801783418.db2.gz FXTPZFHBLKKDRB-UHFFFAOYSA-N -1 3 286.291 0.786 20 10 CCCDHM O=C(NC[C@H](O)C1CCC1)c1cccc(O)c1[O-] ZINC000316287650 804686111 /nfs/dbraw/zinc/68/61/11/804686111.db2.gz KJOSATVWTKSHEH-NSHDSACASA-N -1 3 251.282 0.989 20 10 CCCDHM O=c1[nH]ccn2c(CNCc3cccc(F)c3[O-])nnc12 ZINC001183864296 844110764 /nfs/dbraw/zinc/11/07/64/844110764.db2.gz LGFVUEYKSVJMDS-UHFFFAOYSA-N -1 3 289.270 0.552 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](F)C[C@H](CO)C1 ZINC001148212468 840762110 /nfs/dbraw/zinc/76/21/10/840762110.db2.gz YZHNJPWNSROWFQ-IUCAKERBSA-N -1 3 269.272 0.890 20 10 CCCDHM N=c1scc(N)n1C(=O)c1cccc(O)c1[O-] ZINC001148213128 840764488 /nfs/dbraw/zinc/76/44/88/840764488.db2.gz XAOINEUCDQASSH-UHFFFAOYSA-N -1 3 251.267 0.711 20 10 CCCDHM O=C(N[C@@H]1CCOC[C@@H]1F)c1cccc(O)c1[O-] ZINC001148224581 840767002 /nfs/dbraw/zinc/76/70/02/840767002.db2.gz PYPJCRHXKRGEKM-DTWKUNHWSA-N -1 3 255.245 0.955 20 10 CCCDHM Cc1nonc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581214 840848001 /nfs/dbraw/zinc/84/80/01/840848001.db2.gz PIIIVPGREMVYFU-UHFFFAOYSA-N -1 3 251.198 0.747 20 10 CCCDHM O=C(NCc1cc[nH]c(=O)c1)c1cc(O)c([O-])c(O)c1 ZINC001148589665 840856157 /nfs/dbraw/zinc/85/61/57/840856157.db2.gz GJGGQWRNQTXILC-UHFFFAOYSA-N -1 3 276.248 0.834 20 10 CCCDHM CC(=O)NC[C@@H](C)CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590752 840857430 /nfs/dbraw/zinc/85/74/30/840857430.db2.gz OOYVJKOXSDUNHH-SSDOTTSWSA-N -1 3 282.296 0.305 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCNC2=O)CC1 ZINC001329855442 916228389 /nfs/dbraw/zinc/22/83/89/916228389.db2.gz ODJAXSKNLSJAJX-UHFFFAOYSA-N -1 3 290.319 0.840 20 10 CCCDHM C[C@H](NCC(=O)NCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC001589123999 956153239 /nfs/dbraw/zinc/15/32/39/956153239.db2.gz XTUSDOYUQGCQQZ-JTQLQIEISA-N -1 3 279.340 0.604 20 10 CCCDHM COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC001598824540 996367408 /nfs/dbraw/zinc/36/74/08/996367408.db2.gz ARZTWAHXIKTEBQ-QWRGUYRKSA-N -1 3 297.282 0.837 20 10 CCCDHM COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC001598824540 996367413 /nfs/dbraw/zinc/36/74/13/996367413.db2.gz ARZTWAHXIKTEBQ-QWRGUYRKSA-N -1 3 297.282 0.837 20 10 CCCDHM NC(=O)CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271019985 353014859 /nfs/dbraw/zinc/01/48/59/353014859.db2.gz ATMRYHNPCDTOAV-UHFFFAOYSA-N -1 3 283.759 0.649 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H](O)C2CCOCC2)c([O-])c1O ZINC000272806068 353095799 /nfs/dbraw/zinc/09/57/99/353095799.db2.gz ZKQBXHNIOQGUJC-LBPRGKRZSA-N -1 3 295.335 0.924 20 10 CCCDHM CCNC(=O)NCCNC(=O)c1cccc(O)c1[O-] ZINC000293703353 388987682 /nfs/dbraw/zinc/98/76/82/388987682.db2.gz AMEQERXAYKUMOE-UHFFFAOYSA-N -1 3 267.285 0.147 20 10 CCCDHM Cc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c([O-])c1O ZINC000267619134 389372361 /nfs/dbraw/zinc/37/23/61/389372361.db2.gz UGZIQOFDRJSJKL-CYBMUJFWSA-N -1 3 299.348 0.713 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](C)C[S@@](C)=O)c([O-])c1O ZINC000181700003 389691635 /nfs/dbraw/zinc/69/16/35/389691635.db2.gz ZWHNLQPUPAHCTP-DCXZOGHSSA-N -1 3 271.338 0.903 20 10 CCCDHM COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000126487973 260353370 /nfs/dbraw/zinc/35/33/70/260353370.db2.gz FNFBDNOFRUTUPC-PSASIEDQSA-N -1 3 279.292 0.979 20 10 CCCDHM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000365768532 303320546 /nfs/dbraw/zinc/32/05/46/303320546.db2.gz HJFGIZSMXDTFRE-PTRXPTGYSA-N -1 3 290.319 0.824 20 10 CCCDHM O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000188203694 329366869 /nfs/dbraw/zinc/36/68/69/329366869.db2.gz BEPALZQCXHKUDB-LLVKDONJSA-N -1 3 290.319 0.981 20 10 CCCDHM COCC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000291589887 521971357 /nfs/dbraw/zinc/97/13/57/521971357.db2.gz QWUGHQNPQYZNHW-VIFPVBQESA-N -1 3 283.280 0.406 20 10 CCCDHM COC(=O)[C@@H](NCc1cc2c(cc1[O-])OCO2)[C@@H](C)O ZINC000276436371 523632326 /nfs/dbraw/zinc/63/23/26/523632326.db2.gz IEEUPGOOZPKBOL-KRTXAFLBSA-N -1 3 283.280 0.133 20 10 CCCDHM Cc1ccc(C(=O)N[C@@]2(CCO)CCOC2)c([O-])c1O ZINC000278227301 526207017 /nfs/dbraw/zinc/20/70/17/526207017.db2.gz XYRBLWAYPZAUMC-AWEZNQCLSA-N -1 3 281.308 0.678 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN2C(=O)OC[C@H]2C1 ZINC000366152172 526772148 /nfs/dbraw/zinc/77/21/48/526772148.db2.gz QNKYWKLBUBJCCX-MRVPVSSYSA-N -1 3 278.264 0.374 20 10 CCCDHM Cc1ccc(C(=O)NCC2(S(C)(=O)=O)CC2)c([O-])c1O ZINC000793994317 581326733 /nfs/dbraw/zinc/32/67/33/581326733.db2.gz VIKXLAUHZRLQNW-UHFFFAOYSA-N -1 3 299.348 0.713 20 10 CCCDHM O=C(NC[C@@H](CO)[C@H]1CCOC1)c1cc([O-])cs1 ZINC000796452946 581440867 /nfs/dbraw/zinc/44/08/67/581440867.db2.gz YQGSADXPCDSYPH-IUCAKERBSA-N -1 3 271.338 0.829 20 10 CCCDHM CNC(=O)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731910898 581789833 /nfs/dbraw/zinc/78/98/33/581789833.db2.gz VUMBAXHHKQXWFS-UHFFFAOYSA-N -1 3 258.255 0.066 20 10 CCCDHM CN(C)CC(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732267447 581812177 /nfs/dbraw/zinc/81/21/77/581812177.db2.gz FPCMTFHJXUSMBE-UHFFFAOYSA-N -1 3 297.380 0.300 20 10 CCCDHM CS(=O)(=O)CCOCCNC(=O)c1cc([O-])cs1 ZINC000743632544 581819333 /nfs/dbraw/zinc/81/93/33/581819333.db2.gz IICZIWVWPJZNQN-UHFFFAOYSA-N -1 3 293.366 0.245 20 10 CCCDHM C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cc([O-])cs1 ZINC000732678206 581840608 /nfs/dbraw/zinc/84/06/08/581840608.db2.gz WQTSMWCFWYVNDL-SSDOTTSWSA-N -1 3 277.367 0.959 20 10 CCCDHM CNC(=O)C(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000746301246 581908981 /nfs/dbraw/zinc/90/89/81/581908981.db2.gz KGTSWPRNVKQRJF-UHFFFAOYSA-N -1 3 256.327 0.956 20 10 CCCDHM CSCC[C@H](NC(=O)c1cccc(O)c1[O-])C(N)=O ZINC000862715599 617246006 /nfs/dbraw/zinc/24/60/06/617246006.db2.gz CTGWKQAHKQUVJM-QMMMGPOBSA-N -1 3 284.337 0.435 20 10 CCCDHM CC(=O)N1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923372107 613466600 /nfs/dbraw/zinc/46/66/00/613466600.db2.gz WYWMFMOEJJLEHF-SNVBAGLBSA-N -1 3 295.314 0.951 20 10 CCCDHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000803567611 614040279 /nfs/dbraw/zinc/04/02/79/614040279.db2.gz RZNXOBYJQBMKLE-BXKDBHETSA-N -1 3 297.351 0.986 20 10 CCCDHM CCn1nc(C)c(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000819600069 615663206 /nfs/dbraw/zinc/66/32/06/615663206.db2.gz XBLINYXLXPUQEL-UHFFFAOYSA-N -1 3 276.296 0.948 20 10 CCCDHM COC(=O)[C@@]1(O)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895702130 616560924 /nfs/dbraw/zinc/56/09/24/616560924.db2.gz HUTQVMCEDJXHQA-CYBMUJFWSA-N -1 3 287.262 0.780 20 10 CCCDHM COC(=O)N1CC(NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921549820 616802021 /nfs/dbraw/zinc/80/20/21/616802021.db2.gz RIDGJPXFJFRXOC-UHFFFAOYSA-N -1 3 297.286 0.781 20 10 CCCDHM COc1cc(C(=O)OCC(=O)C(C)=O)cc(OC)c1[O-] ZINC000808528803 617168313 /nfs/dbraw/zinc/16/83/13/617168313.db2.gz PVBNHVNQLJMAGP-UHFFFAOYSA-N -1 3 282.248 0.724 20 10 CCCDHM CN(Cc1nncn1C)C(=O)c1cccc(O)c1[O-] ZINC000311490960 623745270 /nfs/dbraw/zinc/74/52/70/623745270.db2.gz CBRBLSCIPLWRDH-UHFFFAOYSA-N -1 3 262.269 0.499 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)c1nc2n(n1)CCCN2 ZINC000928705031 632544839 /nfs/dbraw/zinc/54/48/39/632544839.db2.gz CIQAEVLGQITDJD-UHFFFAOYSA-N -1 3 291.286 0.126 20 10 CCCDHM CNC(=O)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000323051582 633377675 /nfs/dbraw/zinc/37/76/75/633377675.db2.gz GPGQRVPZTMCEPV-ZETCQYMHSA-N -1 3 252.270 0.352 20 10 CCCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](O)[C@@H](CO)C1 ZINC000839167314 640303928 /nfs/dbraw/zinc/30/39/28/640303928.db2.gz WYKDFHKXNNHWID-KCJUWKMLSA-N -1 3 275.707 0.970 20 10 CCCDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])[C@@H]1CCOC1 ZINC000855210283 644295358 /nfs/dbraw/zinc/29/53/58/644295358.db2.gz MFXBGIWOMXSIJK-SKDRFNHKSA-N -1 3 281.308 0.879 20 10 CCCDHM CO[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@](C)(CO)C1 ZINC000870525892 646005818 /nfs/dbraw/zinc/00/58/18/646005818.db2.gz LSYWYCJZEHMYNZ-LKFCYVNXSA-N -1 3 281.308 0.710 20 10 CCCDHM O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(O)c1[O-] ZINC000126197256 646675696 /nfs/dbraw/zinc/67/56/96/646675696.db2.gz ZILPPZRSIRELMS-SSDOTTSWSA-N -1 3 271.294 0.015 20 10 CCCDHM O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccc(O)c1[O-] ZINC000126377227 646745379 /nfs/dbraw/zinc/74/53/79/646745379.db2.gz RZGIUPKYQOFFNX-MRVPVSSYSA-N -1 3 285.321 0.262 20 10 CCCDHM O=C(N[C@H]1CCCS(=O)(=O)C1)c1cccc(O)c1[O-] ZINC000126424622 646762425 /nfs/dbraw/zinc/76/24/25/646762425.db2.gz PTGHWNPMQQJNFG-QMMMGPOBSA-N -1 3 285.321 0.405 20 10 CCCDHM O=C(NCC[C@@H]1CNC(=O)C1)NCc1c([O-])cccc1F ZINC000926992564 648537160 /nfs/dbraw/zinc/53/71/60/648537160.db2.gz CHZTZZHOPVGJNM-VIFPVBQESA-N -1 3 295.314 0.857 20 10 CCCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)N1C(=O)CCC1=O ZINC000928711906 648659652 /nfs/dbraw/zinc/65/96/52/648659652.db2.gz LQJLDZGEUUVZKL-QMMMGPOBSA-N -1 3 294.282 0.685 20 10 CCCDHM NC(=O)C1=NO[C@@H]2CN(Cc3cc(Cl)ccc3[O-])C[C@H]12 ZINC001277456837 805604275 /nfs/dbraw/zinc/60/42/75/805604275.db2.gz DAEPXXUAMBEBHR-GXSJLCMTSA-N -1 3 295.726 0.718 20 10 CCCDHM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1O ZINC001231447161 805802503 /nfs/dbraw/zinc/80/25/03/805802503.db2.gz OPHXLIGTFGLOMK-UFBFGSQYSA-N -1 3 251.282 0.903 20 10 CCCDHM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1O ZINC001231447161 805802516 /nfs/dbraw/zinc/80/25/16/805802516.db2.gz OPHXLIGTFGLOMK-UFBFGSQYSA-N -1 3 251.282 0.903 20 10 CCCDHM CN1C[C@@H](CCNC(=O)c2cccc(O)c2[O-])CC1=O ZINC000723388154 791192371 /nfs/dbraw/zinc/19/23/71/791192371.db2.gz DUMYTSYDVRXRPP-VIFPVBQESA-N -1 3 278.308 0.696 20 10 CCCDHM NC(=O)c1[nH]nc2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC001278254726 806792935 /nfs/dbraw/zinc/79/29/35/806792935.db2.gz FNQHJJHGAAUFGV-UHFFFAOYSA-N -1 3 290.298 0.912 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](O)[C@@H](CO)C1 ZINC001142508660 800126033 /nfs/dbraw/zinc/12/60/33/800126033.db2.gz GWBGDWAYISNMHB-SKDRFNHKSA-N -1 3 273.279 0.846 20 10 CCCDHM NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001269559612 813420587 /nfs/dbraw/zinc/42/05/87/813420587.db2.gz HDBLZQIUAGLFNQ-UFGYURQFSA-N -1 3 290.319 0.728 20 10 CCCDHM O=C(CNc1cc2c(nn1)CNC2)c1ccc([O-])c(O)c1 ZINC001170316557 837301085 /nfs/dbraw/zinc/30/10/85/837301085.db2.gz IXHYRQOJKNHIDM-UHFFFAOYSA-N -1 3 286.291 0.786 20 10 CCCDHM Cn1cnc(CCNC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC000170190752 839387332 /nfs/dbraw/zinc/38/73/32/839387332.db2.gz GNXNQQBSQNJGSL-UHFFFAOYSA-N -1 3 277.280 0.509 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@H](F)C[C@H](CO)C1 ZINC001148582493 840850895 /nfs/dbraw/zinc/85/08/95/840850895.db2.gz IQIHQLHVIZFCQB-IONNQARKSA-N -1 3 285.271 0.596 20 10 CCCDHM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cc(O)c([O-])c(O)c1 ZINC001148590525 840855354 /nfs/dbraw/zinc/85/53/54/840855354.db2.gz LYQOGZBLJUGWIZ-MTBHXBHISA-N -1 3 251.238 0.178 20 10 CCCDHM O=C([O-])c1cnn2c1[nH]c(CN1CC[C@H](CF)C1)cc2=O ZINC001332454777 918170114 /nfs/dbraw/zinc/17/01/14/918170114.db2.gz FMOSJILBLJCWOJ-MRVPVSSYSA-N -1 3 294.286 0.925 20 10 CCCDHM CN(Cc1ccccc1O)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085840271 957936896 /nfs/dbraw/zinc/93/68/96/957936896.db2.gz RENHNLBRXNMURT-SNVBAGLBSA-N -1 3 266.297 0.543 20 10 CCCDHM COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC001598824925 996371775 /nfs/dbraw/zinc/37/17/75/996371775.db2.gz BGSKYQDHGRKLNI-WDEREUQCSA-N -1 3 279.292 0.698 20 10 CCCDHM COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC001598824925 996371782 /nfs/dbraw/zinc/37/17/82/996371782.db2.gz BGSKYQDHGRKLNI-WDEREUQCSA-N -1 3 279.292 0.698 20 10 CCCDHM COC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC001598824924 996372057 /nfs/dbraw/zinc/37/20/57/996372057.db2.gz BGSKYQDHGRKLNI-QWRGUYRKSA-N -1 3 279.292 0.698 20 10 CCCDHM COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC001598824924 996372060 /nfs/dbraw/zinc/37/20/60/996372060.db2.gz BGSKYQDHGRKLNI-QWRGUYRKSA-N -1 3 279.292 0.698 20 10 CCCDHM CNS(=O)(=O)CCN[C@@H](C)c1ccc(F)cc1[O-] ZINC000187198439 351533522 /nfs/dbraw/zinc/53/35/22/351533522.db2.gz GYZPZVDAPWYMBZ-QMMMGPOBSA-N -1 3 276.333 0.731 20 10 CCCDHM COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ccccc1[O-] ZINC000188788631 351629074 /nfs/dbraw/zinc/62/90/74/351629074.db2.gz SCKLWGYCABQREK-QWHCGFSZSA-N -1 3 265.309 0.891 20 10 CCCDHM Cc1ccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)c([O-])c1O ZINC000272780424 353093580 /nfs/dbraw/zinc/09/35/80/353093580.db2.gz UYMAZDBAGGGHBE-VIFPVBQESA-N -1 3 291.307 0.256 20 10 CCCDHM O=C(NCCOC(=O)C1CC1)c1cccc(O)c1[O-] ZINC000299032527 353984658 /nfs/dbraw/zinc/98/46/58/353984658.db2.gz RTQINEUMRLMAKQ-UHFFFAOYSA-N -1 3 265.265 0.781 20 10 CCCDHM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000185800411 388814286 /nfs/dbraw/zinc/81/42/86/388814286.db2.gz HOMYRYQKLPZMTC-WCBMZHEXSA-N -1 3 278.308 0.872 20 10 CCCDHM CCS(=O)(=O)NCCN(C)Cc1ccccc1[O-] ZINC000109773793 389099776 /nfs/dbraw/zinc/09/97/76/389099776.db2.gz AVRLGJAJMBFOOD-UHFFFAOYSA-N -1 3 272.370 0.763 20 10 CCCDHM NS(=O)(=O)[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000372742876 389455780 /nfs/dbraw/zinc/45/57/80/389455780.db2.gz QZCDIKDMTDKSSC-SNVBAGLBSA-N -1 3 288.344 0.784 20 10 CCCDHM C[C@H](O)CN1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000281596848 389620793 /nfs/dbraw/zinc/62/07/93/389620793.db2.gz NPOJTTJSVRLBQB-MNOVXSKESA-N -1 3 294.351 0.625 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](C(N)=O)C(C)C)c([O-])c1O ZINC000177682893 389590319 /nfs/dbraw/zinc/59/03/19/389590319.db2.gz QHNCDGYDWWEOEF-SECBINFHSA-N -1 3 266.297 0.646 20 10 CCCDHM O=C(NCCN1CCOCC1)c1cccc(O)c1[O-] ZINC000126226642 260346799 /nfs/dbraw/zinc/34/67/99/260346799.db2.gz VJFXANPKVSAJGV-UHFFFAOYSA-N -1 3 266.297 0.160 20 10 CCCDHM CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126327962 260350940 /nfs/dbraw/zinc/35/09/40/260350940.db2.gz QTMAXSQHLABXJR-JTQLQIEISA-N -1 3 278.308 0.839 20 10 CCCDHM Cc1ccc(C(=O)NC2(C(N)=O)CCOCC2)c([O-])c1O ZINC000376841491 268023524 /nfs/dbraw/zinc/02/35/24/268023524.db2.gz HOJRAQLTMSCYGU-UHFFFAOYSA-N -1 3 294.307 0.171 20 10 CCCDHM CC(C)S(=O)(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000290752205 519786973 /nfs/dbraw/zinc/78/69/73/519786973.db2.gz YRPGXFIAJPPPPZ-UHFFFAOYSA-N -1 3 287.337 0.651 20 10 CCCDHM COC[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280863206 522305705 /nfs/dbraw/zinc/30/57/05/522305705.db2.gz CKBRJQFFKOOTFR-DTWKUNHWSA-N -1 3 270.285 0.958 20 10 CCCDHM CC(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048923109 519716568 /nfs/dbraw/zinc/71/65/68/519716568.db2.gz QVUHFXGGXYJGJN-UHFFFAOYSA-N -1 3 272.326 0.902 20 10 CCCDHM CN(CC(=O)N1CCOCC1)C(=O)c1cccc(O)c1[O-] ZINC000279868515 522444869 /nfs/dbraw/zinc/44/48/69/522444869.db2.gz FHDDDEOZMIRQMW-UHFFFAOYSA-N -1 3 294.307 0.029 20 10 CCCDHM C[C@H]1CN(Cc2cc3c(cc2[O-])OCO3)CCS1(=O)=O ZINC000265669491 524614799 /nfs/dbraw/zinc/61/47/99/524614799.db2.gz AVYDQDFCDQFNIF-VIFPVBQESA-N -1 3 299.348 0.740 20 10 CCCDHM O=C(NC[C@]1(O)CCSC1)c1cccc(O)c1[O-] ZINC000274995486 526633321 /nfs/dbraw/zinc/63/33/21/526633321.db2.gz SOBULQQOANAPAE-GFCCVEGCSA-N -1 3 269.322 0.696 20 10 CCCDHM CNC(=O)Cn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000788645509 581119658 /nfs/dbraw/zinc/11/96/58/581119658.db2.gz PGXWRIMTFUZYGK-UHFFFAOYSA-N -1 3 290.279 0.293 20 10 CCCDHM NC(=O)c1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000788659901 581120990 /nfs/dbraw/zinc/12/09/90/581120990.db2.gz CGLUKZGCLCWHKQ-UHFFFAOYSA-N -1 3 279.277 0.906 20 10 CCCDHM COC[C@@H](NCc1cc2c(cc1[O-])OCO2)C(=O)OC ZINC000789574660 581151912 /nfs/dbraw/zinc/15/19/12/581151912.db2.gz DOTSZJPMVBWZKQ-SECBINFHSA-N -1 3 283.280 0.399 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC(=O)N(C)C2)c1[O-] ZINC000779205050 581176842 /nfs/dbraw/zinc/17/68/42/581176842.db2.gz PCGSUENLITYRPP-UHFFFAOYSA-N -1 3 266.272 0.965 20 10 CCCDHM NC(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000790873044 581201173 /nfs/dbraw/zinc/20/11/73/581201173.db2.gz FVAOMUMNDILBMA-UHFFFAOYSA-N -1 3 287.275 0.522 20 10 CCCDHM Cc1ccc(C(=O)NCc2cc(C(N)=O)no2)c([O-])c1O ZINC000780966185 581253145 /nfs/dbraw/zinc/25/31/45/581253145.db2.gz BDRGBCVAKFSVOG-UHFFFAOYSA-N -1 3 291.263 0.423 20 10 CCCDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](O)C2)c([O-])c1O ZINC000781009257 581255820 /nfs/dbraw/zinc/25/58/20/581255820.db2.gz VYBXMDKZSOMEQH-PSASIEDQSA-N -1 3 251.282 0.859 20 10 CCCDHM Cc1ccc(C(=O)N(C)CCNC(=O)N(C)C)c([O-])c1O ZINC000781014241 581255917 /nfs/dbraw/zinc/25/59/17/581255917.db2.gz IPSQSTGQSDWNQD-UHFFFAOYSA-N -1 3 295.339 0.749 20 10 CCCDHM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000743325315 581807763 /nfs/dbraw/zinc/80/77/63/581807763.db2.gz XKMJEBFRAVXUCN-MRVPVSSYSA-N -1 3 290.366 0.347 20 10 CCCDHM O=C(CCNC(=O)c1cc([O-])cs1)N1CCOCC1 ZINC000732266144 581811545 /nfs/dbraw/zinc/81/15/45/581811545.db2.gz QCZIOIOEKXSCKJ-UHFFFAOYSA-N -1 3 284.337 0.432 20 10 CCCDHM C[C@H]1COCCN1CCNC(=O)c1cc([O-])cs1 ZINC000732286273 581817172 /nfs/dbraw/zinc/81/71/72/581817172.db2.gz 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CCCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](CO)[C@H](O)C1 ZINC001142508546 800126690 /nfs/dbraw/zinc/12/66/90/800126690.db2.gz CLYXEGFTLDXEQR-ISVAXAHUSA-N -1 3 273.279 0.846 20 10 CCCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C(N)=O)C1 ZINC001154942799 800875996 /nfs/dbraw/zinc/87/59/96/800875996.db2.gz PMSAQJVLPWRKDW-SCZZXKLOSA-N -1 3 278.308 0.824 20 10 CCCDHM C[C@@H](O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC001161587441 802185534 /nfs/dbraw/zinc/18/55/34/802185534.db2.gz PQWHMBGXGJAKTI-KCJUWKMLSA-N -1 3 267.281 0.320 20 10 CCCDHM O=C(NCCN1CCCCC1=O)c1cccc(O)c1[O-] ZINC000405929874 803896685 /nfs/dbraw/zinc/89/66/85/803896685.db2.gz GJZPPCIXBQSEGK-UHFFFAOYSA-N -1 3 278.308 0.840 20 10 CCCDHM NS(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001260083318 808850101 /nfs/dbraw/zinc/85/01/01/808850101.db2.gz GPHMMKJTKDPPMW-UHFFFAOYSA-N -1 3 287.728 0.887 20 10 CCCDHM CN1C(=O)COCC12CN(Cc1cc(F)ccc1[O-])C2 ZINC001273285806 821547920 /nfs/dbraw/zinc/54/79/20/821547920.db2.gz VWTZLUSBZPJKNX-UHFFFAOYSA-N -1 3 280.299 0.574 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCN(C)[C@H](CO)C2)c1[O-] ZINC000828724060 821819772 /nfs/dbraw/zinc/81/97/72/821819772.db2.gz CXOXIZKNQQPVIM-ZDUSSCGKSA-N -1 3 296.342 0.842 20 10 CCCDHM Cn1nnc(CNCc2ccc(Br)cc2[O-])n1 ZINC000691417661 822208627 /nfs/dbraw/zinc/20/86/27/822208627.db2.gz WIEKYLKPOBZDHI-UHFFFAOYSA-N -1 3 298.144 0.968 20 10 CCCDHM O=C(Nc1cn[nH]c(=O)c1)c1cc(O)c([O-])c(O)c1 ZINC001148580558 840849168 /nfs/dbraw/zinc/84/91/68/840849168.db2.gz HKECXOXUDWRGHD-UHFFFAOYSA-N -1 3 263.209 0.551 20 10 CCCDHM COCC1CN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148581758 840850788 /nfs/dbraw/zinc/85/07/88/840850788.db2.gz VBOXORUGSDHGFY-UHFFFAOYSA-N -1 3 253.254 0.522 20 10 CCCDHM CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148591232 840856597 /nfs/dbraw/zinc/85/65/97/840856597.db2.gz VPGHLBGNUVUYQI-NXEZZACHSA-N -1 3 267.281 0.693 20 10 CCCDHM Cc1c[nH]c(CCNC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148589567 840856788 /nfs/dbraw/zinc/85/67/88/840856788.db2.gz 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BLXIVGGZSNIJNP-XVKPBYJWSA-N -1 3 278.308 0.661 20 10 CCCDHM CCS(=O)(=O)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000275120473 521648932 /nfs/dbraw/zinc/64/89/32/521648932.db2.gz MDKRDGSGWYKGMM-MRVPVSSYSA-N -1 3 287.337 0.651 20 10 CCCDHM COC[C@H](O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272717655 522799076 /nfs/dbraw/zinc/79/90/76/522799076.db2.gz GJWGFEZDVNCKOM-MRVPVSSYSA-N -1 3 255.270 0.143 20 10 CCCDHM COCCN(CC(=O)OC)C(=O)c1cccc(O)c1[O-] ZINC000275141510 523669407 /nfs/dbraw/zinc/66/94/07/523669407.db2.gz PPYPTSSKPIKJCP-UHFFFAOYSA-N -1 3 283.280 0.359 20 10 CCCDHM CC[S@@](=O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000780937719 581250469 /nfs/dbraw/zinc/25/04/69/581250469.db2.gz GBGRJEOEANXSCT-GOSISDBHSA-N -1 3 271.338 0.905 20 10 CCCDHM Cc1ccc(C(=O)N2CCN3C(=O)CC[C@H]3C2)c([O-])c1O ZINC000781002383 581255408 /nfs/dbraw/zinc/25/54/08/581255408.db2.gz UDEBHXBPFGWVNF-JTQLQIEISA-N -1 3 290.319 0.853 20 10 CCCDHM Cc1ccc(C(=O)N2CC(CCO)C2)c([O-])c1O ZINC000781015110 581256286 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COc1c([O-])c(CN(C)[C@@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000774916298 582002526 /nfs/dbraw/zinc/00/25/26/582002526.db2.gz YXZOCOZGQPJFSV-SNVBAGLBSA-N -1 3 295.295 0.629 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000764348757 582042889 /nfs/dbraw/zinc/04/28/89/582042889.db2.gz WNKNCDIDAQEWOQ-ZETCQYMHSA-N -1 3 268.294 0.730 20 10 CCCDHM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc([O-])cs1 ZINC000764716411 582064194 /nfs/dbraw/zinc/06/41/94/582064194.db2.gz WPTKWIXSGMWXSN-VXNVDRBHSA-N -1 3 257.311 0.676 20 10 CCCDHM CN(Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCN(C)C1=O ZINC000768445895 582106619 /nfs/dbraw/zinc/10/66/19/582106619.db2.gz KDDYSUSTFKRWQX-YPMHNXCESA-N -1 3 292.335 0.481 20 10 CCCDHM COC[C@](C)(CO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000768456349 582107046 /nfs/dbraw/zinc/10/70/46/582107046.db2.gz LQQOHAVDKMMAGU-ZDUSSCGKSA-N -1 3 269.297 0.533 20 10 CCCDHM CCCNC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000126362816 614848077 /nfs/dbraw/zinc/84/80/77/614848077.db2.gz VQSNXXWYMOGUPC-UHFFFAOYSA-N -1 3 266.297 0.744 20 10 CCCDHM COC(=O)[C@@H](F)CNC(=O)c1cccc(O)c1[O-] ZINC000838075701 616999794 /nfs/dbraw/zinc/99/97/94/616999794.db2.gz OOVDVOPIAWGEEP-ZETCQYMHSA-N -1 3 257.217 0.339 20 10 CCCDHM C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709064 632546219 /nfs/dbraw/zinc/54/62/19/632546219.db2.gz XAOAASIVUQCLDU-WKEGUHRASA-N -1 3 268.244 0.644 20 10 CCCDHM C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709061 632547680 /nfs/dbraw/zinc/54/76/80/632547680.db2.gz XAOAASIVUQCLDU-LDWIPMOCSA-N -1 3 268.244 0.644 20 10 CCCDHM NC(=O)N1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928709862 632547761 /nfs/dbraw/zinc/54/77/61/632547761.db2.gz MRGLCRSYPQLMFW-SECBINFHSA-N -1 3 295.314 0.938 20 10 CCCDHM O=S(=O)(NCc1c([O-])cccc1F)N1CCOCC1 ZINC000921452608 638185049 /nfs/dbraw/zinc/18/50/49/638185049.db2.gz UGHLBDYEENORPU-UHFFFAOYSA-N -1 3 290.316 0.198 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCn2nncc2C1 ZINC000848269632 643615464 /nfs/dbraw/zinc/61/54/64/643615464.db2.gz GTMPFMWSKLOHTP-UHFFFAOYSA-N -1 3 260.253 0.345 20 10 CCCDHM C[C@@H]1CN(CCNC(=O)c2cccc(O)c2[O-])[C@@H](C)CO1 ZINC000855413015 644315317 /nfs/dbraw/zinc/31/53/17/644315317.db2.gz YXEPXXVPNLXWAU-WDEREUQCSA-N -1 3 294.351 0.937 20 10 CCCDHM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cccc(O)c1[O-] ZINC000126496130 646808825 /nfs/dbraw/zinc/80/88/25/646808825.db2.gz NSRPGLJXLYQKQJ-RKDXNWHRSA-N -1 3 267.281 0.320 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000928710266 648659443 /nfs/dbraw/zinc/65/94/43/648659443.db2.gz RZWIIHDVLZNGLR-QMMMGPOBSA-N -1 3 287.312 0.582 20 10 CCCDHM CCOC[C@H](C(=O)OC)N(C)C(=O)c1cccc(O)c1[O-] ZINC001150939230 800378817 /nfs/dbraw/zinc/37/88/17/800378817.db2.gz OCESXWYLUSFUTM-SNVBAGLBSA-N -1 3 297.307 0.748 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@H](CO)C[C@H](F)C1 ZINC001148582491 840848990 /nfs/dbraw/zinc/84/89/90/840848990.db2.gz IQIHQLHVIZFCQB-APPZFPTMSA-N -1 3 285.271 0.596 20 10 CCCDHM C[C@@]1(CO)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1O ZINC001148583296 840852450 /nfs/dbraw/zinc/85/24/50/840852450.db2.gz XDHLNHASPOHWNX-FZMZJTMJSA-N -1 3 297.307 0.009 20 10 CCCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)C[C@@H](O)CO ZINC001139124565 852189281 /nfs/dbraw/zinc/18/92/81/852189281.db2.gz BZDVEROXEUPISU-SNVBAGLBSA-N -1 3 293.319 0.592 20 10 CCCDHM C[C@H](O)C[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC001447512162 930648230 /nfs/dbraw/zinc/64/82/30/930648230.db2.gz YSKXVYYXDXCUDP-VHSXEESVSA-N -1 3 281.308 0.710 20 10 CCCDHM C[C@H]1C(=O)NCCN1Cc1cc2c(cc1[O-])OCO2 ZINC000123517724 350076377 /nfs/dbraw/zinc/07/63/77/350076377.db2.gz UHOAJUIKZCXWEV-QMMMGPOBSA-N -1 3 264.281 0.441 20 10 CCCDHM Cc1nc2n(n1)C[C@@H](NC(=O)c1cccc(O)c1[O-])CC2 ZINC000193008897 351807275 /nfs/dbraw/zinc/80/72/75/351807275.db2.gz RZWPNGBIKJTCOK-VIFPVBQESA-N -1 3 288.307 0.743 20 10 CCCDHM COC(=O)[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000293889647 388989229 /nfs/dbraw/zinc/98/92/29/388989229.db2.gz DZEKREDBIYPNSU-VIFPVBQESA-N -1 3 283.280 0.324 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@](O)(C(N)=O)C2)c1[O-] ZINC000276480337 389516453 /nfs/dbraw/zinc/51/64/53/389516453.db2.gz RYAKMECXLSTANJ-CQSZACIVSA-N -1 3 296.298 0.156 20 10 CCCDHM COCCN1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182436789 389708079 /nfs/dbraw/zinc/70/80/79/389708079.db2.gz GVKYGRBXABHUAU-UHFFFAOYSA-N -1 3 294.351 0.810 20 10 CCCDHM CN1CCO[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126470241 260353067 /nfs/dbraw/zinc/35/30/67/260353067.db2.gz GJKQDAZJIVKMMO-SECBINFHSA-N -1 3 266.297 0.158 20 10 CCCDHM Cc1ccc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c([O-])c1O ZINC000282226690 328241694 /nfs/dbraw/zinc/24/16/94/328241694.db2.gz VBPKBHDYDCGAEX-VIFPVBQESA-N -1 3 299.348 0.665 20 10 CCCDHM CCn1ncc(CNC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000529587386 333500029 /nfs/dbraw/zinc/50/00/29/333500029.db2.gz KANQFVRJTLVWDL-UHFFFAOYSA-N -1 3 276.296 0.948 20 10 CCCDHM CC(=O)c1cc(F)cc(CN(CCO)C[C@H](C)O)c1[O-] ZINC000289872790 518283585 /nfs/dbraw/zinc/28/35/85/518283585.db2.gz QVUXQSZCFMHGLT-VIFPVBQESA-N -1 3 285.315 0.909 20 10 CCCDHM CNS(=O)(=O)CCN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276925977 522208407 /nfs/dbraw/zinc/20/84/07/522208407.db2.gz NIOKHPFJKDIXBB-SSDOTTSWSA-N -1 3 294.323 0.870 20 10 CCCDHM COC(OC)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126165313 522537155 /nfs/dbraw/zinc/53/71/55/522537155.db2.gz QCYIQWXNRNPWNM-SSDOTTSWSA-N -1 3 255.270 0.835 20 10 CCCDHM COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccccc1[O-] ZINC000275348041 523979295 /nfs/dbraw/zinc/97/92/95/523979295.db2.gz YZQZJBQOYYZMJO-LLVKDONJSA-N -1 3 299.348 0.164 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)S1(=O)=O ZINC000291362887 524540010 /nfs/dbraw/zinc/54/00/10/524540010.db2.gz VMDAQURCZTUYCU-IUCAKERBSA-N -1 3 299.348 0.745 20 10 CCCDHM C[C@H](O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126522699 525846942 /nfs/dbraw/zinc/84/69/42/525846942.db2.gz ZORAMZQLPGEYRG-IUCAKERBSA-N -1 3 251.282 0.941 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c([O-])c1O ZINC000780982858 581254151 /nfs/dbraw/zinc/25/41/51/581254151.db2.gz CFLZGQZCEHSZDN-CMPLNLGQSA-N -1 3 294.351 0.855 20 10 CCCDHM CCOc1ccc(CN2CCO[C@@H](C(N)=O)C2)c([O-])c1 ZINC000769217677 581677527 /nfs/dbraw/zinc/67/75/27/581677527.db2.gz JGQZNHFFLOQZMQ-CYBMUJFWSA-N -1 3 280.324 0.477 20 10 CCCDHM COc1cccc([O-])c1CN1CCN(C(=O)[C@H](C)O)CC1 ZINC000769501647 581693077 /nfs/dbraw/zinc/69/30/77/581693077.db2.gz KVWLJTJJLFQFBW-NSHDSACASA-N -1 3 294.351 0.426 20 10 CCCDHM COc1cccc([O-])c1CN1CCN2CCOC[C@H]2C1 ZINC000757927507 581715025 /nfs/dbraw/zinc/71/50/25/581715025.db2.gz GJKCUAWTPLCVNR-GFCCVEGCSA-N -1 3 278.352 0.917 20 10 CCCDHM C[C@@H](NC(=O)c1cc([O-])cs1)[C@H]1CN(C)CCO1 ZINC000771093940 581791774 /nfs/dbraw/zinc/79/17/74/581791774.db2.gz SIDBBUZGBWREBT-PSASIEDQSA-N -1 3 270.354 0.903 20 10 CCCDHM CCOC(=O)[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000774017544 581953006 /nfs/dbraw/zinc/95/30/06/581953006.db2.gz PTHJCKDBJUYWCE-CQSZACIVSA-N -1 3 297.307 0.450 20 10 CCCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@]2(CCO)CCOC2)c1 ZINC000775028559 582009764 /nfs/dbraw/zinc/00/97/64/582009764.db2.gz DCLDOYHDMAPIPO-CYBMUJFWSA-N -1 3 282.296 0.932 20 10 CCCDHM CC(C)ONC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000857522112 614042011 /nfs/dbraw/zinc/04/20/11/614042011.db2.gz BTBKIKSJOMMQDJ-UHFFFAOYSA-N -1 3 288.325 0.834 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCN(C)C[C@H]2CO)c1[O-] ZINC000879002456 614249475 /nfs/dbraw/zinc/24/94/75/614249475.db2.gz IDIFTSMURGVRQU-ZDUSSCGKSA-N -1 3 296.342 0.842 20 10 CCCDHM CCN(C)C(=O)CNC(=O)NCc1c([O-])cccc1F ZINC000922061127 614836499 /nfs/dbraw/zinc/83/64/99/614836499.db2.gz TXSPOEVJNFGDPV-UHFFFAOYSA-N -1 3 283.303 0.809 20 10 CCCDHM CC1=NO[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000854802935 614988966 /nfs/dbraw/zinc/98/89/66/614988966.db2.gz DGXOAYVVNBPVOC-MRVPVSSYSA-N -1 3 250.254 0.992 20 10 CCCDHM CN1CCO[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928706510 616252720 /nfs/dbraw/zinc/25/27/20/616252720.db2.gz VJHXWUWSTHXZBV-GFCCVEGCSA-N -1 3 268.288 0.478 20 10 CCCDHM CONC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048923991 631862260 /nfs/dbraw/zinc/86/22/60/631862260.db2.gz DOHNETONCDOCPV-UHFFFAOYSA-N -1 3 260.271 0.055 20 10 CCCDHM Cn1cc(CNCc2c([O-])cccc2F)c(=O)n(C)c1=O ZINC000896642410 632307561 /nfs/dbraw/zinc/30/75/61/632307561.db2.gz WEYAGTGCNGVYCI-UHFFFAOYSA-N -1 3 293.298 0.219 20 10 CCCDHM O=C(C[C@@H]1CC(=O)NC1=O)NCc1c([O-])cccc1F ZINC000830179962 642238974 /nfs/dbraw/zinc/23/89/74/642238974.db2.gz FHTCVAUKAHMYAO-SSDOTTSWSA-N -1 3 280.255 0.200 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@H](O)C1CCOCC1 ZINC000928705298 648657933 /nfs/dbraw/zinc/65/79/33/648657933.db2.gz IZUACLIPDNJXTB-CYBMUJFWSA-N -1 3 283.299 0.935 20 10 CCCDHM C[C@]1(CO)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1O ZINC001231445955 805803438 /nfs/dbraw/zinc/80/34/38/805803438.db2.gz DCXWTIQMMMVAAH-DZGCQCFKSA-N -1 3 295.335 0.656 20 10 CCCDHM C[C@]1(CO)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1O ZINC001231445955 805803451 /nfs/dbraw/zinc/80/34/51/805803451.db2.gz DCXWTIQMMMVAAH-DZGCQCFKSA-N -1 3 295.335 0.656 20 10 CCCDHM C[C@@]1(CO)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1O ZINC001231445956 805804245 /nfs/dbraw/zinc/80/42/45/805804245.db2.gz DCXWTIQMMMVAAH-HIFRSBDPSA-N -1 3 295.335 0.656 20 10 CCCDHM C[C@@]1(CO)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1O ZINC001231445956 805804251 /nfs/dbraw/zinc/80/42/51/805804251.db2.gz DCXWTIQMMMVAAH-HIFRSBDPSA-N -1 3 295.335 0.656 20 10 CCCDHM COC(=O)[C@@H]1CNCCN1Cc1ccc(F)c(F)c1[O-] ZINC001236056776 806539297 /nfs/dbraw/zinc/53/92/97/806539297.db2.gz QUDLPKDNWHGMGB-JTQLQIEISA-N -1 3 286.278 0.617 20 10 CCCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1O ZINC000400464131 803769695 /nfs/dbraw/zinc/76/96/95/803769695.db2.gz UFSBYDYGOZVVRH-LDYMZIIASA-N -1 3 251.282 0.941 20 10 CCCDHM CC(=O)N1CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000187126701 803896925 /nfs/dbraw/zinc/89/69/25/803896925.db2.gz QRKLZZCEZWXCIO-UHFFFAOYSA-N -1 3 250.254 0.058 20 10 CCCDHM CN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001269561362 813422188 /nfs/dbraw/zinc/42/21/88/813422188.db2.gz MHJVTVNLTGNLDB-PSLIRLAXSA-N -1 3 290.319 0.791 20 10 CCCDHM O=C(CNCc1ccc(F)c(F)c1[O-])N1CCOCC1 ZINC000700743110 818839064 /nfs/dbraw/zinc/83/90/64/818839064.db2.gz MISLHNZXIBNKAC-UHFFFAOYSA-N -1 3 286.278 0.619 20 10 CCCDHM CCOc1cc(N)n(C(=O)c2cccc(O)c2[O-])c(=N)n1 ZINC001148211965 840762157 /nfs/dbraw/zinc/76/21/57/840762157.db2.gz FMCAQSSPDGFFPL-UHFFFAOYSA-N -1 3 290.279 0.443 20 10 CCCDHM COC(=O)[C@@H]1CN(C)CCN1C(=O)c1cccc(O)c1[O-] ZINC001148219384 840766321 /nfs/dbraw/zinc/76/63/21/840766321.db2.gz ZYBCIDGVQCGWKS-JTQLQIEISA-N -1 3 294.307 0.027 20 10 CCCDHM Cc1cc(N(C(=N)N)C(=O)c2cccc(O)c2[O-])n[nH]1 ZINC001148225886 840768800 /nfs/dbraw/zinc/76/88/00/840768800.db2.gz VZPPVPJZTMIELN-UHFFFAOYSA-N -1 3 275.268 0.670 20 10 CCCDHM CN(CC1COC1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584110 840854511 /nfs/dbraw/zinc/85/45/11/840854511.db2.gz OJJUOIZRIRPRNU-UHFFFAOYSA-N -1 3 253.254 0.522 20 10 CCCDHM CN1C[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)CCC1=O ZINC001148590040 840856644 /nfs/dbraw/zinc/85/66/44/840856644.db2.gz WHDVCYVVYKXMRX-MRVPVSSYSA-N -1 3 280.280 0.154 20 10 CCCDHM O=C(CNC(=O)c1cc(O)c([O-])c(O)c1)NC1CCCC1 ZINC001148590033 840856815 /nfs/dbraw/zinc/85/68/15/840856815.db2.gz WEPYRAMRJGNWKP-UHFFFAOYSA-N -1 3 294.307 0.592 20 10 CCCDHM O=C([O-])c1cn(CC[NH2+]Cc2ccccc2[O-])nn1 ZINC000236473356 960656305 /nfs/dbraw/zinc/65/63/05/960656305.db2.gz HAKBWXMEZFRIDH-UHFFFAOYSA-N -1 3 262.269 0.472 20 10 CCCDHM [O-]c1ccc(Br)cc1CN1C[C@@H](O)[C@@H](O)C1 ZINC000093483433 349544057 /nfs/dbraw/zinc/54/40/57/349544057.db2.gz BSFYHRGUAHXMHN-PHIMTYICSA-N -1 3 288.141 0.692 20 10 CCCDHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])[C@@H](C)O ZINC000191014403 351743615 /nfs/dbraw/zinc/74/36/15/351743615.db2.gz AXLOHNFQJXDPOQ-RDDDGLTNSA-N -1 3 257.261 0.543 20 10 CCCDHM O=C1[N-]C(=O)C2(CC[NH+](Cc3cccc(F)c3[O-])CC2)N1 ZINC000273811557 353113518 /nfs/dbraw/zinc/11/35/18/353113518.db2.gz YUAKQHZPOZBFOL-UHFFFAOYSA-N -1 3 293.298 0.705 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](C)CS(C)(=O)=O)c([O-])c1O ZINC000272745703 353090830 /nfs/dbraw/zinc/09/08/30/353090830.db2.gz NAWJAWZCZCFKQY-QMMMGPOBSA-N -1 3 287.337 0.569 20 10 CCCDHM CN(CCNS(C)(=O)=O)Cc1ccccc1[O-] ZINC000109772024 389100444 /nfs/dbraw/zinc/10/04/44/389100444.db2.gz UKIDXVYWXFDIDC-UHFFFAOYSA-N -1 3 258.343 0.373 20 10 CCCDHM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2O)cn1C ZINC000158583997 389346402 /nfs/dbraw/zinc/34/64/02/389346402.db2.gz KDFYUSCPQOAHEF-UHFFFAOYSA-N -1 3 281.337 0.913 20 10 CCCDHM CNC(=O)C(C)(C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182853117 389718955 /nfs/dbraw/zinc/71/89/55/389718955.db2.gz GBNNTFMUGWDAFX-UHFFFAOYSA-N -1 3 280.324 0.908 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)c([O-])c1O ZINC000529764027 390858909 /nfs/dbraw/zinc/85/89/09/390858909.db2.gz GFOQFPRZJXDDPZ-MNOVXSKESA-N -1 3 281.308 0.676 20 10 CCCDHM C[C@H](CN1CCOCC1)NC(=O)c1cccc(O)c1[O-] ZINC000126310376 260349213 /nfs/dbraw/zinc/34/92/13/260349213.db2.gz QWZNNBIYPGLWAW-SNVBAGLBSA-N -1 3 280.324 0.548 20 10 CCCDHM CC(C)CN(CC(N)=O)C(=O)c1cccc(O)c1[O-] ZINC000126339908 260350542 /nfs/dbraw/zinc/35/05/42/260350542.db2.gz RDLVCYCPAHHPAJ-UHFFFAOYSA-N -1 3 266.297 0.681 20 10 CCCDHM CN1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCC1=O ZINC000126447021 260352282 /nfs/dbraw/zinc/35/22/82/260352282.db2.gz XUJNESOAAOMIEE-QMMMGPOBSA-N -1 3 264.281 0.448 20 10 CCCDHM COc1ccc([O-])c([C@H]2NC(=O)[C@@H]3CSCCN32)c1 ZINC000270830749 295168881 /nfs/dbraw/zinc/16/88/81/295168881.db2.gz UFCNTPOLCWGMNT-JQWIXIFHSA-N -1 3 280.349 0.947 20 10 CCCDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C(=O)O1 ZINC000298562373 297282385 /nfs/dbraw/zinc/28/23/85/297282385.db2.gz ZNPBGKWYUXGRSY-HTRCEHHLSA-N -1 3 251.238 0.532 20 10 CCCDHM O=C1N[C@H](c2cc3c(cc2[O-])OCO3)N2CCSC[C@@H]12 ZINC000270832363 304685595 /nfs/dbraw/zinc/68/55/95/304685595.db2.gz UMLVCHPWJSFBLA-UFBFGSQYSA-N -1 3 294.332 0.667 20 10 CCCDHM CN1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000279297846 327547070 /nfs/dbraw/zinc/54/70/70/327547070.db2.gz NCCBARJKODDVLX-MRVPVSSYSA-N -1 3 250.254 0.058 20 10 CCCDHM CNC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000182465349 329239779 /nfs/dbraw/zinc/23/97/79/329239779.db2.gz ZRPQPHWVNQLISW-LBPRGKRZSA-N -1 3 284.743 0.992 20 10 CCCDHM COC(=O)C[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000366317496 523356586 /nfs/dbraw/zinc/35/65/86/523356586.db2.gz WJYPGZWZBKEMEL-VIFPVBQESA-N -1 3 295.291 0.502 20 10 CCCDHM Cc1ccc(C(=O)N2CC(n3cncn3)C2)c([O-])c1O ZINC000365009937 526081303 /nfs/dbraw/zinc/08/13/03/526081303.db2.gz GTNTURJXIBKCHJ-UHFFFAOYSA-N -1 3 274.280 0.695 20 10 CCCDHM Cc1ccc(C(=O)N[C@]2(C)CCOC2=O)c([O-])c1O ZINC000292501880 526216665 /nfs/dbraw/zinc/21/66/65/526216665.db2.gz PCNJJQAYBMVVBR-CYBMUJFWSA-N -1 3 265.265 0.842 20 10 CCCDHM CN1C(=S)N=NC1CCNC(=O)c1cccc(O)c1[O-] ZINC000274962613 527079861 /nfs/dbraw/zinc/07/98/61/527079861.db2.gz LGSAKZFHGBJTNK-UHFFFAOYSA-N -1 3 294.336 0.488 20 10 CCCDHM O=C([O-])[C@]1(NCc2ccc3c(c2)CCO3)CCOC1 ZINC000789901638 581161430 /nfs/dbraw/zinc/16/14/30/581161430.db2.gz CFDPETRXZGNDPP-AWEZNQCLSA-N -1 3 263.293 0.955 20 10 CCCDHM COC(=O)CN(CC(=O)OC)Cc1cc(F)ccc1[O-] ZINC000779000092 581172705 /nfs/dbraw/zinc/17/27/05/581172705.db2.gz PRJKEJQSSGDGAX-UHFFFAOYSA-N -1 3 285.271 0.679 20 10 CCCDHM O=C(Nc1nn2cnnc2s1)c1cccc(O)c1[O-] ZINC000790512320 581189419 /nfs/dbraw/zinc/18/94/19/581189419.db2.gz JDDQDJYPRGYVFF-UHFFFAOYSA-N -1 3 277.265 0.849 20 10 CCCDHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790911831 581202304 /nfs/dbraw/zinc/20/23/04/581202304.db2.gz NRRYTGHWSXJIDI-WPRPVWTQSA-N -1 3 278.308 0.742 20 10 CCCDHM COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCO1 ZINC000780929562 581250138 /nfs/dbraw/zinc/25/01/38/581250138.db2.gz UWZIKJFVCDEVCV-JTQLQIEISA-N -1 3 295.291 0.420 20 10 CCCDHM Cc1ccc(C(=O)NCCCCC(N)=O)c([O-])c1O ZINC000781015042 581256342 /nfs/dbraw/zinc/25/63/42/581256342.db2.gz TXRDWUNYVCFRJS-UHFFFAOYSA-N -1 3 266.297 0.792 20 10 CCCDHM CCOCCOC[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000792525695 581264678 /nfs/dbraw/zinc/26/46/78/581264678.db2.gz KKSFGTZGLKIFRK-SNVBAGLBSA-N -1 3 289.353 0.598 20 10 CCCDHM Cn1ncc(C(=O)COC(=O)c2cc([O-])cs2)n1 ZINC000791885202 581270642 /nfs/dbraw/zinc/27/06/42/581270642.db2.gz IARSVMWKUMMTJB-UHFFFAOYSA-N -1 3 267.266 0.622 20 10 CCCDHM O=C(CO)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000793590983 581304092 /nfs/dbraw/zinc/30/40/92/581304092.db2.gz FBRBWNWLLQHHGI-UHFFFAOYSA-N -1 3 284.743 0.682 20 10 CCCDHM CCOc1ccc(CNCc2nnn(C)n2)c([O-])c1 ZINC000785616368 581590171 /nfs/dbraw/zinc/59/01/71/581590171.db2.gz ACVHHEYABNWJMR-UHFFFAOYSA-N -1 3 263.301 0.604 20 10 CCCDHM COc1cccc([O-])c1CN1CCN2CCOC[C@@H]2C1 ZINC000757927508 581715058 /nfs/dbraw/zinc/71/50/58/581715058.db2.gz GJKCUAWTPLCVNR-LBPRGKRZSA-N -1 3 278.352 0.917 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCN2CCOC[C@H]2C1 ZINC000758684904 581764061 /nfs/dbraw/zinc/76/40/61/581764061.db2.gz QXPHTVWJHQPOEA-SECBINFHSA-N -1 3 268.338 0.610 20 10 CCCDHM O=C(COC(=O)c1cc([O-])cs1)N1CCOCC1 ZINC000731910600 581789822 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COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCC(=O)[O-])c1 ZINC000833733163 617273865 /nfs/dbraw/zinc/27/38/65/617273865.db2.gz ATTHJJDULFKQAX-BDAKNGLRSA-N -1 3 296.323 0.641 20 10 CCCDHM CCC[C@H](O)[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000839816777 614429650 /nfs/dbraw/zinc/42/96/50/614429650.db2.gz JYQMANUTCPNRFB-UWVGGRQHSA-N -1 3 269.297 0.350 20 10 CCCDHM CCS(=O)(=O)NCC(=O)NCc1c([O-])cccc1F ZINC000928705335 615342236 /nfs/dbraw/zinc/34/22/36/615342236.db2.gz JQUQNJPGHZGMEQ-UHFFFAOYSA-N -1 3 290.316 0.087 20 10 CCCDHM CN(C)C(=O)COC1CN(Cc2cc(F)ccc2[O-])C1 ZINC000839137401 615973940 /nfs/dbraw/zinc/97/39/40/615973940.db2.gz GSQBBOJNHQOUCP-UHFFFAOYSA-N -1 3 282.315 0.820 20 10 CCCDHM COC1(OC)CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1O ZINC000824070897 616467373 /nfs/dbraw/zinc/46/73/73/616467373.db2.gz VPAKMOJKRYNRTP-NSHDSACASA-N -1 3 297.307 0.294 20 10 CCCDHM CO[C@@H](C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452062 617159611 /nfs/dbraw/zinc/15/96/11/617159611.db2.gz BZOQEKQVBRFWOK-QMMMGPOBSA-N -1 3 277.317 0.986 20 10 CCCDHM C[C@@]1(NC(=O)c2cccc(O)c2[O-])CCNC1=O ZINC000889031664 632593918 /nfs/dbraw/zinc/59/39/18/632593918.db2.gz MRMXPKCIYJVYEI-GFCCVEGCSA-N -1 3 250.254 0.106 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCCn2nncc2C1 ZINC000899334976 633804292 /nfs/dbraw/zinc/80/42/92/633804292.db2.gz LQTNXILOZYCTLT-UHFFFAOYSA-N -1 3 274.280 0.735 20 10 CCCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](CO)[C@H](O)C1 ZINC000839167317 640304507 /nfs/dbraw/zinc/30/45/07/640304507.db2.gz WYKDFHKXNNHWID-LDYMZIIASA-N -1 3 275.707 0.970 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@](F)(CO)C1 ZINC000802334474 640697248 /nfs/dbraw/zinc/69/72/48/640697248.db2.gz WVXHPWSRBSGJBX-LBPRGKRZSA-N -1 3 255.245 0.644 20 10 CCCDHM C[C@H]1C(=O)N(C)CN1C(=O)c1cccc(O)c1[O-] ZINC000844102853 643153934 /nfs/dbraw/zinc/15/39/34/643153934.db2.gz KFRJMCRETLQTFT-ZETCQYMHSA-N -1 3 250.254 0.358 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001231456043 805806575 /nfs/dbraw/zinc/80/65/75/805806575.db2.gz ZYFDKXRZFOBKJX-JQWIXIFHSA-N -1 3 290.319 0.658 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001231456043 805806584 /nfs/dbraw/zinc/80/65/84/805806584.db2.gz ZYFDKXRZFOBKJX-JQWIXIFHSA-N -1 3 290.319 0.658 20 10 CCCDHM O=C([O-])c1ccc(O)c(CN2CCOC[C@H](O)C2)c1 ZINC001231561671 805817247 /nfs/dbraw/zinc/81/72/47/805817247.db2.gz YCBZNOIHDFLPFT-LLVKDONJSA-N -1 3 267.281 0.284 20 10 CCCDHM COCCN1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231563524 805818154 /nfs/dbraw/zinc/81/81/54/805818154.db2.gz QQNJLGGUGDCMNG-UHFFFAOYSA-N -1 3 294.351 0.854 20 10 CCCDHM [O-]c1cc(O)c(CN2CCO[C@H](CO)C2)cc1Cl ZINC001232259245 805915171 /nfs/dbraw/zinc/91/51/71/805915171.db2.gz IELNVFIOEWRXLN-VIFPVBQESA-N -1 3 273.716 0.944 20 10 CCCDHM NC(=O)[C@H]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC001229969824 805571602 /nfs/dbraw/zinc/57/16/02/805571602.db2.gz FUYVDTQSDWSLCA-DTWKUNHWSA-N -1 3 295.314 0.985 20 10 CCCDHM CN(C)S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001251098830 807663958 /nfs/dbraw/zinc/66/39/58/807663958.db2.gz YFONRRSPTVOTHF-UHFFFAOYSA-N -1 3 252.242 0.889 20 10 CCCDHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCc2cccc(O)c2C1 ZINC001147696086 840664380 /nfs/dbraw/zinc/66/43/80/840664380.db2.gz NBLDPVGHSIJQNV-UHFFFAOYSA-N -1 3 287.275 0.792 20 10 CCCDHM O=C(NCC1(N2CCCC2)COC1)c1cccc(O)c1[O-] ZINC001148220020 840765960 /nfs/dbraw/zinc/76/59/60/840765960.db2.gz LHQMZSHXUWMEGJ-UHFFFAOYSA-N -1 3 292.335 0.692 20 10 CCCDHM C[C@H]1OCC[C@H]1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586900 840853688 /nfs/dbraw/zinc/85/36/88/840853688.db2.gz ZBDYGCRXSYNCKJ-SFYZADRCSA-N -1 3 267.281 0.958 20 10 CCCDHM Cc1cnc(NC(=O)c2cc(O)c([O-])c(O)c2)c(=O)[nH]1 ZINC001148590098 840857601 /nfs/dbraw/zinc/85/76/01/840857601.db2.gz BOXDEODVUNLLPB-UHFFFAOYSA-N -1 3 277.236 0.447 20 10 CCCDHM CCN1CC[C@@H](NCC(=O)c2ccc([O-])c(O)c2)CC1=O ZINC001172033507 841812170 /nfs/dbraw/zinc/81/21/70/841812170.db2.gz NFHZROOYUVLSDT-LLVKDONJSA-N -1 3 292.335 0.881 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1[C@H](CO)CC[C@H]1CO ZINC001299976821 907410053 /nfs/dbraw/zinc/41/00/53/907410053.db2.gz AOUGUOURLHDSFJ-IUCAKERBSA-N -1 3 267.281 0.056 20 10 CCCDHM COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)[O-] ZINC001598824537 996367093 /nfs/dbraw/zinc/36/70/93/996367093.db2.gz ARZTWAHXIKTEBQ-MNOVXSKESA-N -1 3 297.282 0.837 20 10 CCCDHM COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)[O-] ZINC001598824537 996367099 /nfs/dbraw/zinc/36/70/99/996367099.db2.gz ARZTWAHXIKTEBQ-MNOVXSKESA-N -1 3 297.282 0.837 20 10 CCCDHM CCC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000193135081 351813223 /nfs/dbraw/zinc/81/32/23/351813223.db2.gz LUVFKWFCMNGOHS-VIFPVBQESA-N -1 3 278.308 0.839 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)[C@@H](O)C2)c1[O-] ZINC000232595048 352146373 /nfs/dbraw/zinc/14/63/73/352146373.db2.gz PKLNPDNEOXEHEC-TXEJJXNPSA-N -1 3 269.272 0.271 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@]12CCOC2 ZINC000282124450 353395117 /nfs/dbraw/zinc/39/51/17/353395117.db2.gz HZCAATZOLVAHRH-AWEZNQCLSA-N -1 3 279.292 0.729 20 10 CCCDHM COCCN1CN(Cc2ccccc2[O-])CC1=O ZINC000283112628 353482155 /nfs/dbraw/zinc/48/21/55/353482155.db2.gz UPVBRQXXXZXXEK-UHFFFAOYSA-N -1 3 250.298 0.640 20 10 CCCDHM CCc1nc(CNC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC000295466353 353896638 /nfs/dbraw/zinc/89/66/38/353896638.db2.gz XXAGRYRZRQBKAM-UHFFFAOYSA-N -1 3 280.259 0.847 20 10 CCCDHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000365768533 357171691 /nfs/dbraw/zinc/17/16/91/357171691.db2.gz HJFGIZSMXDTFRE-SBMIAAHKSA-N -1 3 290.319 0.824 20 10 CCCDHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000365768531 357171731 /nfs/dbraw/zinc/17/17/31/357171731.db2.gz HJFGIZSMXDTFRE-LNLATYFQSA-N -1 3 290.319 0.824 20 10 CCCDHM CC(C)N1CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000293712507 388987178 /nfs/dbraw/zinc/98/71/78/388987178.db2.gz LYPLGKCQQDJUKU-UHFFFAOYSA-N -1 3 250.298 0.920 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N(CCO)CC(F)F ZINC000194837526 389105662 /nfs/dbraw/zinc/10/56/62/389105662.db2.gz WDKXLXSUYQMWSS-UHFFFAOYSA-N -1 3 261.224 0.797 20 10 CCCDHM Cc1ccc(C(=O)N(C)[C@H]2CCN(C)C2=O)c([O-])c1O ZINC000267621315 389372379 /nfs/dbraw/zinc/37/23/79/389372379.db2.gz UWWOESPJFQZTFY-JTQLQIEISA-N -1 3 278.308 0.709 20 10 CCCDHM O=C(NC[C@H](O)[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000529769193 390860926 /nfs/dbraw/zinc/86/09/26/390860926.db2.gz NKSKDGNVCDGSQW-QWRGUYRKSA-N -1 3 267.281 0.368 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ncnn1C ZINC000276919133 263038523 /nfs/dbraw/zinc/03/85/23/263038523.db2.gz SNFPBNHBXVURJN-SSDOTTSWSA-N -1 3 262.269 0.717 20 10 CCCDHM C[C@@H](CF)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000288144035 263103456 /nfs/dbraw/zinc/10/34/56/263103456.db2.gz JCCRHJIJEPXRNT-ZETCQYMHSA-N -1 3 290.316 0.852 20 10 CCCDHM O=C(CNC(=O)c1cccc(O)c1[O-])NCC1CC1 ZINC000193154722 266168348 /nfs/dbraw/zinc/16/83/48/266168348.db2.gz GQOWOLPSZWCLAZ-UHFFFAOYSA-N -1 3 264.281 0.354 20 10 CCCDHM CC(C)N1CCN(C(=O)c2cccc(O)c2[O-])CC1=O ZINC000279849739 519680508 /nfs/dbraw/zinc/68/05/08/519680508.db2.gz OZINUMUINKIFPX-UHFFFAOYSA-N -1 3 278.308 0.791 20 10 CCCDHM COC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000275913036 522504770 /nfs/dbraw/zinc/50/47/70/522504770.db2.gz FQXBLQPDJYQISQ-UWVGGRQHSA-N -1 3 281.308 0.974 20 10 CCCDHM C[C@@]1(C(N)=O)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000235429672 525821633 /nfs/dbraw/zinc/82/16/33/525821633.db2.gz HSFMQRYQYBQOID-CYBMUJFWSA-N -1 3 264.281 0.435 20 10 CCCDHM NC(=O)c1cc(CNC(=O)c2cccc(O)c2[O-])on1 ZINC000790876188 581201114 /nfs/dbraw/zinc/20/11/14/581201114.db2.gz IAYRWOPPNUDLFY-UHFFFAOYSA-N -1 3 277.236 0.115 20 10 CCCDHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790911829 581202416 /nfs/dbraw/zinc/20/24/16/581202416.db2.gz NRRYTGHWSXJIDI-SCZZXKLOSA-N -1 3 278.308 0.742 20 10 CCCDHM COC(=O)CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000792528685 581264706 /nfs/dbraw/zinc/26/47/06/581264706.db2.gz LDCMSGSHWFYEEN-UHFFFAOYSA-N -1 3 265.265 0.875 20 10 CCCDHM Cc1ccc(C(=O)NCc2cn(C)nn2)c([O-])c1O ZINC000783616992 581353041 /nfs/dbraw/zinc/35/30/41/581353041.db2.gz DXNHLINGSRSNOK-UHFFFAOYSA-N -1 3 262.269 0.465 20 10 CCCDHM CCn1ncnc1CNC(=O)c1cccc(O)c1[O-] ZINC000794234247 581357835 /nfs/dbraw/zinc/35/78/35/581357835.db2.gz BTNRNHBZTRELHG-UHFFFAOYSA-N -1 3 262.269 0.639 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](CO)[C@@H](O)C2)c1[O-] ZINC000787996688 581484274 /nfs/dbraw/zinc/48/42/74/581484274.db2.gz NNUMIZWJGZXJNJ-YGRLFVJLSA-N -1 3 297.326 0.909 20 10 CCCDHM C[C@@H](NC(=O)c1cc([O-])cs1)[C@@H]1CN(C)CCO1 ZINC000771093942 581791997 /nfs/dbraw/zinc/79/19/97/581791997.db2.gz SIDBBUZGBWREBT-SCZZXKLOSA-N -1 3 270.354 0.903 20 10 CCCDHM NC(=O)[C@@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000732264728 581811525 /nfs/dbraw/zinc/81/15/25/581811525.db2.gz VURACXLBPJUANO-QMMMGPOBSA-N -1 3 254.311 0.934 20 10 CCCDHM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353325 581820483 /nfs/dbraw/zinc/82/04/83/581820483.db2.gz FRDISYYZBVZXEF-ZCFIWIBFSA-N -1 3 287.293 0.288 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CC(n2cncn2)C1 ZINC000732829583 581851163 /nfs/dbraw/zinc/85/11/63/581851163.db2.gz AYUDOPLYQUVBOO-UHFFFAOYSA-N -1 3 250.283 0.742 20 10 CCCDHM C[C@H](CS(C)(=O)=O)NC(=O)c1cc([O-])cs1 ZINC000733366362 581903280 /nfs/dbraw/zinc/90/32/80/581903280.db2.gz FLDZKVAQGVEMRL-ZCFIWIBFSA-N -1 3 263.340 0.617 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCS(=O)(=O)C1 ZINC000762658614 581955430 /nfs/dbraw/zinc/95/54/30/581955430.db2.gz PIKUIQDPALLSEA-VIFPVBQESA-N -1 3 299.348 0.605 20 10 CCCDHM COc1c([O-])c(CN[C@H](C)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000775048186 582010408 /nfs/dbraw/zinc/01/04/08/582010408.db2.gz HCHSBAOWAPMEAC-MRVPVSSYSA-N -1 3 297.311 0.875 20 10 CCCDHM CC(C)NC(=O)CN(C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441848 582106710 /nfs/dbraw/zinc/10/67/10/582106710.db2.gz LDJCRAWWXJSXGC-CYBMUJFWSA-N -1 3 294.351 0.774 20 10 CCCDHM COC(=O)CN(Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768464426 582107206 /nfs/dbraw/zinc/10/72/06/582107206.db2.gz RAANGDSCTDOCST-ZDUSSCGKSA-N -1 3 293.319 0.955 20 10 CCCDHM O=C([O-])[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000821511749 598098238 /nfs/dbraw/zinc/09/82/38/598098238.db2.gz QFLBMTKGVQDZBX-PRHODGIISA-N -1 3 279.292 0.725 20 10 CCCDHM O=C([O-])[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000821511749 598098241 /nfs/dbraw/zinc/09/82/41/598098241.db2.gz QFLBMTKGVQDZBX-PRHODGIISA-N -1 3 279.292 0.725 20 10 CCCDHM CCOCCOCCNC(=O)c1cccc(O)c1[O-] ZINC000885756914 615281501 /nfs/dbraw/zinc/28/15/01/615281501.db2.gz YDRMNEJNJVQBDA-UHFFFAOYSA-N -1 3 269.297 0.881 20 10 CCCDHM CN1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CC1=O ZINC000921342693 616294620 /nfs/dbraw/zinc/29/46/20/616294620.db2.gz YUSAAIDMQQIZJL-QMMMGPOBSA-N -1 3 281.287 0.561 20 10 CCCDHM COC(=O)CC[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000883520265 616549550 /nfs/dbraw/zinc/54/95/50/616549550.db2.gz VOEVYBFAHCJICF-UHFFFAOYSA-N -1 3 267.281 0.842 20 10 CCCDHM COC(=O)CC[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000883520265 616549552 /nfs/dbraw/zinc/54/95/52/616549552.db2.gz VOEVYBFAHCJICF-UHFFFAOYSA-N -1 3 267.281 0.842 20 10 CCCDHM CNC(=O)CCCNC(=O)NCc1c([O-])cccc1F ZINC000914310162 616572770 /nfs/dbraw/zinc/57/27/70/616572770.db2.gz WICOYJRRGAHBPO-UHFFFAOYSA-N -1 3 283.303 0.857 20 10 CCCDHM COC[C@@](C)(O)CCNC(=O)c1cccc(O)c1[O-] ZINC000833449816 617028460 /nfs/dbraw/zinc/02/84/60/617028460.db2.gz XZBCIVGDTUFYKE-ZDUSSCGKSA-N -1 3 269.297 0.615 20 10 CCCDHM O=S(=O)(C[C@H]1CCOC1)NCc1c([O-])cccc1F ZINC000921452492 638185043 /nfs/dbraw/zinc/18/50/43/638185043.db2.gz QPOPLAULWLCLAL-VIFPVBQESA-N -1 3 289.328 0.987 20 10 CCCDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCC(=O)N1 ZINC000837221786 642730272 /nfs/dbraw/zinc/73/02/72/642730272.db2.gz VLJZVOFXZMLEOK-ZDUSSCGKSA-N -1 3 264.281 0.496 20 10 CCCDHM NC(=O)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126330716 646728548 /nfs/dbraw/zinc/72/85/48/646728548.db2.gz DKRJLXFMVVFMPW-UHFFFAOYSA-N -1 3 278.308 0.825 20 10 CCCDHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(O)c1[O-] ZINC000126330470 646728869 /nfs/dbraw/zinc/72/88/69/646728869.db2.gz HKMLUMSEQQGRCE-DTWKUNHWSA-N -1 3 278.308 0.824 20 10 CCCDHM C[C@@H](CCNC(=O)c1cccc(O)c1[O-])[S@@](C)=O ZINC000126553268 646818840 /nfs/dbraw/zinc/81/88/40/646818840.db2.gz KPOKNQKKJAIQCP-ASCAZGACSA-N -1 3 271.338 0.985 20 10 CCCDHM COC(=O)[C@@H]1CNCCN1Cc1c(F)ccc(F)c1[O-] ZINC001236054429 806535594 /nfs/dbraw/zinc/53/55/94/806535594.db2.gz FLTXYFARBCQWSP-NSHDSACASA-N -1 3 286.278 0.617 20 10 CCCDHM COc1ccc(CN2C[C@H](O)[C@@H](CO)C2)c([O-])c1Cl ZINC001236802100 806610945 /nfs/dbraw/zinc/61/09/45/806610945.db2.gz OJGWGCRABAANGG-ZJUUUORDSA-N -1 3 287.743 0.839 20 10 CCCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@H](O)[C@H](CO)C1 ZINC001237124646 806640959 /nfs/dbraw/zinc/64/09/59/806640959.db2.gz PVMGFAYLWWECSO-CPCISQLKSA-N -1 3 275.707 0.970 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](CO)[C@@H](O)C1 ZINC001142508547 800126792 /nfs/dbraw/zinc/12/67/92/800126792.db2.gz CLYXEGFTLDXEQR-OQPBUACISA-N -1 3 273.279 0.846 20 10 CCCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C(N)=O)C1 ZINC001154942798 800877087 /nfs/dbraw/zinc/87/70/87/800877087.db2.gz PMSAQJVLPWRKDW-PSASIEDQSA-N -1 3 278.308 0.824 20 10 CCCDHM [O-]c1cccc(F)c1CNc1ccc2nnnn2n1 ZINC001164185683 802684252 /nfs/dbraw/zinc/68/42/52/802684252.db2.gz QEOTXIFBVGZEGM-UHFFFAOYSA-N -1 3 260.232 0.976 20 10 CCCDHM O=C(NCCC1CC(O)C1)c1cccc(O)c1[O-] ZINC000702509577 819131694 /nfs/dbraw/zinc/13/16/94/819131694.db2.gz YDYKMKXGZDHRHF-UHFFFAOYSA-N -1 3 251.282 0.989 20 10 CCCDHM CCN1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000709106795 819786602 /nfs/dbraw/zinc/78/66/02/819786602.db2.gz UBOFRQPWPRPAOI-VIFPVBQESA-N -1 3 264.281 0.448 20 10 CCCDHM COCCN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148212271 840761931 /nfs/dbraw/zinc/76/19/31/840761931.db2.gz UYQMXTPNAWMTGQ-UHFFFAOYSA-N -1 3 280.324 0.502 20 10 CCCDHM Cc1ccnc(CNC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148580560 840848896 /nfs/dbraw/zinc/84/88/96/840848896.db2.gz HRCRJHMTOLDHFE-UHFFFAOYSA-N -1 3 275.264 0.832 20 10 CCCDHM Cc1nc(CCN(C)C(=O)c2cc(O)c([O-])c(O)c2)no1 ZINC001148582542 840848923 /nfs/dbraw/zinc/84/89/23/840848923.db2.gz KGIKSZZALHIUOH-UHFFFAOYSA-N -1 3 293.279 0.810 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@H](F)C(=O)C1 ZINC001148581845 840849484 /nfs/dbraw/zinc/84/94/84/840849484.db2.gz DAZHLYSSRKVEEB-MRVPVSSYSA-N -1 3 283.255 0.947 20 10 CCCDHM CC(=O)NCCCCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590824 840854891 /nfs/dbraw/zinc/85/48/91/840854891.db2.gz RDMMFIRPVHRXCP-UHFFFAOYSA-N -1 3 296.323 0.840 20 10 CCCDHM O=C(NCc1cncnc1)c1cc(O)c([O-])c(O)c1 ZINC001148589605 840855669 /nfs/dbraw/zinc/85/56/69/840855669.db2.gz DKZGVYDZWITCRJ-UHFFFAOYSA-N -1 3 261.237 0.523 20 10 CCCDHM NC(=O)N[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001180120284 843107299 /nfs/dbraw/zinc/10/72/99/843107299.db2.gz GPXUHDKSOLHGPW-QMMMGPOBSA-N -1 3 271.267 0.913 20 10 CCCDHM CC(C)[C@](C)(NC(=O)c1cccc(O)c1[O-])C(N)=O ZINC000388107889 853970814 /nfs/dbraw/zinc/97/08/14/853970814.db2.gz GRGQDQZGMHYRMC-ZDUSSCGKSA-N -1 3 266.297 0.728 20 10 CCCDHM O=C(NC1(CCO)CCOCC1)c1cccc(O)c1[O-] ZINC001347843136 924548670 /nfs/dbraw/zinc/54/86/70/924548670.db2.gz SZAUBENDQJEGTQ-UHFFFAOYSA-N -1 3 281.308 0.759 20 10 CCCDHM O=C(CN1C(=O)CCC1=O)NCc1c([O-])cccc1F ZINC001349301942 924928005 /nfs/dbraw/zinc/92/80/05/924928005.db2.gz XSVKKYNIKYWQKM-UHFFFAOYSA-N -1 3 280.255 0.297 20 10 CCCDHM C[C@H]1CCNC(=O)[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001353580970 925877547 /nfs/dbraw/zinc/87/75/47/925877547.db2.gz FJNZEPHMXAAEJD-UFBFGSQYSA-N -1 3 295.314 0.855 20 10 CCCDHM CC(C)(C)[C@H](NC(=O)c1cccc(O)c1[O-])C(N)=O ZINC000193139103 351813931 /nfs/dbraw/zinc/81/39/31/351813931.db2.gz YKNAZHCPONAEEC-SNVBAGLBSA-N -1 3 266.297 0.728 20 10 CCCDHM CNC(=O)CCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000271262470 353033736 /nfs/dbraw/zinc/03/37/36/353033736.db2.gz JSYUKSOOUHPHHP-UHFFFAOYSA-N -1 3 266.297 0.614 20 10 CCCDHM COC(=O)[C@@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272731601 353088994 /nfs/dbraw/zinc/08/89/94/353088994.db2.gz HCEVXGUZYWOMLX-QMMMGPOBSA-N -1 3 267.281 0.945 20 10 CCCDHM Cc1nnc(CCNC(=O)c2cccc(O)c2[O-])n1C ZINC000286461125 353588473 /nfs/dbraw/zinc/58/84/73/353588473.db2.gz JWZJQZDJHWIAMS-UHFFFAOYSA-N -1 3 276.296 0.507 20 10 CCCDHM CC[C@H](CO)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000185874778 388816499 /nfs/dbraw/zinc/81/64/99/388816499.db2.gz HUSXFNNHTPHTSI-LLVKDONJSA-N -1 3 294.351 0.627 20 10 CCCDHM O=C(N[C@H]1CC[C@@H](CO)C1)c1cccc(O)c1[O-] ZINC000295379564 389005006 /nfs/dbraw/zinc/00/50/06/389005006.db2.gz FEKDLHOQEUIYPK-BDAKNGLRSA-N -1 3 251.282 0.989 20 10 CCCDHM CN(CC(=O)N1CCOCC1)Cc1ccccc1[O-] ZINC000109772195 389099726 /nfs/dbraw/zinc/09/97/26/389099726.db2.gz NWAMTRNOBLVMLX-UHFFFAOYSA-N -1 3 264.325 0.683 20 10 CCCDHM CC(=O)NC[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000179576169 389659607 /nfs/dbraw/zinc/65/96/07/389659607.db2.gz PTKAMMSUTVKBBF-CYBMUJFWSA-N -1 3 264.325 0.729 20 10 CCCDHM O=C(NC[C@H](O)[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000529769195 390860841 /nfs/dbraw/zinc/86/08/41/390860841.db2.gz NKSKDGNVCDGSQW-WDEREUQCSA-N -1 3 267.281 0.368 20 10 CCCDHM COc1ccc([O-])c([C@H]2NC(=O)[C@H]3CSCCN32)c1 ZINC000270830751 286339128 /nfs/dbraw/zinc/33/91/28/286339128.db2.gz UFCNTPOLCWGMNT-PWSUYJOCSA-N -1 3 280.349 0.947 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)N1CCCC1 ZINC000126533674 260353837 /nfs/dbraw/zinc/35/38/37/260353837.db2.gz RUGCIWAITAMCRW-VIFPVBQESA-N -1 3 278.308 0.839 20 10 CCCDHM CC(C)NC(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000126262263 264201806 /nfs/dbraw/zinc/20/18/06/264201806.db2.gz XCSICSADWDSESU-UHFFFAOYSA-N -1 3 252.270 0.352 20 10 CCCDHM Cc1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c([O-])c1O ZINC000378561617 329055050 /nfs/dbraw/zinc/05/50/50/329055050.db2.gz IMZUDUJAJUDOKM-SECBINFHSA-N -1 3 292.291 0.683 20 10 CCCDHM CN1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC1=O ZINC000280656129 524012287 /nfs/dbraw/zinc/01/22/87/524012287.db2.gz ODDYUDCJXKAQIQ-ZETCQYMHSA-N -1 3 250.254 0.058 20 10 CCCDHM CNC(=O)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272726763 524068960 /nfs/dbraw/zinc/06/89/60/524068960.db2.gz GJYMYMQYFNIVFY-UHFFFAOYSA-N -1 3 252.270 0.272 20 10 CCCDHM CNC(=O)CNCc1cc(Br)ccc1[O-] ZINC000163754252 524074624 /nfs/dbraw/zinc/07/46/24/524074624.db2.gz KEOGCEPZKZUUAC-UHFFFAOYSA-N -1 3 273.130 0.990 20 10 CCCDHM O=C(NN1CCCNC1=O)c1cccc(O)c1[O-] ZINC000279879611 526843055 /nfs/dbraw/zinc/84/30/55/526843055.db2.gz RKYWJJZNHRZHSF-UHFFFAOYSA-N -1 3 251.242 0.158 20 10 CCCDHM Cn1cc([C@@H](CO)NC(=O)c2cc([O-])cs2)cn1 ZINC000778512869 581158668 /nfs/dbraw/zinc/15/86/68/581158668.db2.gz WTFSSSOJYSMBFP-SECBINFHSA-N -1 3 267.310 0.651 20 10 CCCDHM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1nnc[nH]1 ZINC000789994294 581169631 /nfs/dbraw/zinc/16/96/31/581169631.db2.gz AZIBITJCKAXZLC-RXMQYKEDSA-N -1 3 266.232 0.846 20 10 CCCDHM NS(=O)(=O)C[C@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000779015688 581172601 /nfs/dbraw/zinc/17/26/01/581172601.db2.gz BCVPKQDBPDRDLH-LLVKDONJSA-N -1 3 288.344 0.784 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nnnn1C1CC1 ZINC000791917004 581239540 /nfs/dbraw/zinc/23/95/40/581239540.db2.gz QYFSBHWZOJBPGG-ZETCQYMHSA-N -1 3 289.295 0.910 20 10 CCCDHM COc1cccc([O-])c1CN1C[C@H](CO)O[C@@H](C)C1 ZINC000787417535 581469843 /nfs/dbraw/zinc/46/98/43/581469843.db2.gz OIBNXNQRTVXMRH-WDEREUQCSA-N -1 3 267.325 0.982 20 10 CCCDHM COc1cccc([O-])c1CN1C[C@H](C)O[C@H](CO)C1 ZINC000787417531 581469900 /nfs/dbraw/zinc/46/99/00/581469900.db2.gz OIBNXNQRTVXMRH-QWRGUYRKSA-N -1 3 267.325 0.982 20 10 CCCDHM O=C(N[C@H](CO)CC1CC1)c1cccc(O)c1[O-] ZINC000787815065 581479608 /nfs/dbraw/zinc/47/96/08/581479608.db2.gz ISJCJMUDTKKQFI-VIFPVBQESA-N -1 3 251.282 0.989 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](O)CC(F)(F)C1 ZINC000787840357 581479880 /nfs/dbraw/zinc/47/98/80/581479880.db2.gz YACMMZCLKZUGFQ-SSDOTTSWSA-N -1 3 273.235 0.940 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](O)CC(F)(F)C1 ZINC000787840358 581479899 /nfs/dbraw/zinc/47/98/99/581479899.db2.gz YACMMZCLKZUGFQ-ZETCQYMHSA-N -1 3 273.235 0.940 20 10 CCCDHM CCN(CCS(C)(=O)=O)C(=O)c1cc([O-])cs1 ZINC000753834445 581560467 /nfs/dbraw/zinc/56/04/67/581560467.db2.gz ZXJRVSBUTULDHC-UHFFFAOYSA-N -1 3 277.367 0.960 20 10 CCCDHM COc1cccc([O-])c1CN(C)CC(=O)N1CCOCC1 ZINC000768184088 581647181 /nfs/dbraw/zinc/64/71/81/581647181.db2.gz FNBNNVHYKQMVOW-UHFFFAOYSA-N -1 3 294.351 0.691 20 10 CCCDHM CO[C@]1(CNC(=O)c2cc([O-])cs2)CCOC1 ZINC000764480044 582050815 /nfs/dbraw/zinc/05/08/15/582050815.db2.gz AZGJPVLRJRTRLT-NSHDSACASA-N -1 3 257.311 0.989 20 10 CCCDHM CC(C)[C@H](CO)ONC(=O)c1cccc(O)c1[O-] ZINC000857285491 614215211 /nfs/dbraw/zinc/21/52/11/614215211.db2.gz DPVLULZXUPUTAV-JTQLQIEISA-N -1 3 255.270 0.776 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCN(C)C[C@@H]2CO)c1[O-] ZINC000879002455 614249423 /nfs/dbraw/zinc/24/94/23/614249423.db2.gz IDIFTSMURGVRQU-CYBMUJFWSA-N -1 3 296.342 0.842 20 10 CCCDHM CCN1CCO[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705634 615171068 /nfs/dbraw/zinc/17/10/68/615171068.db2.gz MKQOJIPYOVGIGN-CYBMUJFWSA-N -1 3 282.315 0.868 20 10 CCCDHM CCON(C)C(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000846508070 615335374 /nfs/dbraw/zinc/33/53/74/615335374.db2.gz MFVCVVHTYVIAOB-UHFFFAOYSA-N -1 3 268.269 0.238 20 10 CCCDHM CN(CCS(N)(=O)=O)Cc1cc(Cl)ccc1[O-] ZINC000877827054 616121683 /nfs/dbraw/zinc/12/16/83/616121683.db2.gz MQDLMAUNGQIWKJ-UHFFFAOYSA-N -1 3 278.761 0.766 20 10 CCCDHM CN(CC1CN(C)C1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000857316455 616163645 /nfs/dbraw/zinc/16/36/45/616163645.db2.gz YYURQGUDWCPMRO-UHFFFAOYSA-N -1 3 268.288 0.871 20 10 CCCDHM CON(C)C(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000863629655 617067588 /nfs/dbraw/zinc/06/75/88/617067588.db2.gz FJUKDDMQVBEGIC-ZETCQYMHSA-N -1 3 268.269 0.236 20 10 CCCDHM CONC(=O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000832013530 617108286 /nfs/dbraw/zinc/10/82/86/617108286.db2.gz IDHSCDLBTINIGE-UHFFFAOYSA-N -1 3 294.307 0.628 20 10 CCCDHM O=C(N[C@@H]1CCCCNC1=O)c1cccc(O)c1[O-] ZINC000187221236 640209368 /nfs/dbraw/zinc/20/93/68/640209368.db2.gz GXHXWFGKKPGOMM-SECBINFHSA-N -1 3 264.281 0.496 20 10 CCCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](O)[C@H](CO)C1 ZINC000839167315 640303357 /nfs/dbraw/zinc/30/33/57/640303357.db2.gz WYKDFHKXNNHWID-KWQFWETISA-N -1 3 275.707 0.970 20 10 CCCDHM C[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846241343 643392809 /nfs/dbraw/zinc/39/28/09/643392809.db2.gz HEQFUACBXIUNIK-MRVPVSSYSA-N -1 3 276.296 0.975 20 10 CCCDHM CO[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@](C)(CO)C1 ZINC000870525894 646005371 /nfs/dbraw/zinc/00/53/71/646005371.db2.gz LSYWYCJZEHMYNZ-XPTSAGLGSA-N -1 3 281.308 0.710 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCn2cnnc2C1 ZINC000126444971 646785880 /nfs/dbraw/zinc/78/58/80/646785880.db2.gz FJTJCWKOIVNYBI-UHFFFAOYSA-N -1 3 260.253 0.345 20 10 CCCDHM Cn1cc(C[C@H](O)C(=O)NCc2c([O-])cccc2F)cn1 ZINC000928708511 648659376 /nfs/dbraw/zinc/65/93/76/648659376.db2.gz NIGAHDVFASHUGS-ZDUSSCGKSA-N -1 3 293.298 0.485 20 10 CCCDHM O=C(CS(=O)(=O)C1CC1)NCc1c([O-])cccc1F ZINC000928706670 648659590 /nfs/dbraw/zinc/65/95/90/648659590.db2.gz UPWRPAXWIPPHAB-UHFFFAOYSA-N -1 3 287.312 0.725 20 10 CCCDHM CN(C)C(=O)C1CN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231563511 805816970 /nfs/dbraw/zinc/81/69/70/805816970.db2.gz BYLREFULTZYSPB-UHFFFAOYSA-N -1 3 278.308 0.610 20 10 CCCDHM O=C1CCN(Cc2c([O-])ccc(F)c2F)CCN1 ZINC001233331815 806042232 /nfs/dbraw/zinc/04/22/32/806042232.db2.gz MFBQOUKGJJGAJM-UHFFFAOYSA-N -1 3 256.252 0.992 20 10 CCCDHM CN(Cc1c([O-])cccc1Br)C[C@@H](O)CO ZINC001140100350 799882135 /nfs/dbraw/zinc/88/21/35/799882135.db2.gz MCNDQKNRPOCQTH-MRVPVSSYSA-N -1 3 290.157 0.940 20 10 CCCDHM N[C@H]1CN(C(=O)c2cc(O)c([O-])c(Cl)c2)C[C@H]1F ZINC001157555837 801417017 /nfs/dbraw/zinc/41/70/17/801417017.db2.gz OGSZBDNDUHXZRM-SFYZADRCSA-N -1 3 274.679 0.872 20 10 CCCDHM CN(C(=O)c1cccc(O)c1[O-])C1CCS(=O)(=O)CC1 ZINC000710602198 813179064 /nfs/dbraw/zinc/17/90/64/813179064.db2.gz RMKHHLGQTMSQMY-UHFFFAOYSA-N -1 3 299.348 0.747 20 10 CCCDHM CC1(C)CC(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000708165555 819761442 /nfs/dbraw/zinc/76/14/42/819761442.db2.gz UTNOQLPWBROHAF-UHFFFAOYSA-N -1 3 278.308 0.839 20 10 CCCDHM CC(C)(C)N(C[C@@H](O)CO)C(=O)c1cccc(O)c1[O-] ZINC001148212075 840762513 /nfs/dbraw/zinc/76/25/13/840762513.db2.gz KXDOKHVWKDUVPX-SECBINFHSA-N -1 3 283.324 0.692 20 10 CCCDHM COC(=O)[C@]1(C)COCCN1C(=O)c1cccc(O)c1[O-] ZINC001148218468 840764536 /nfs/dbraw/zinc/76/45/36/840764536.db2.gz DRAYBAGIVSZKCS-AWEZNQCLSA-N -1 3 295.291 0.502 20 10 CCCDHM O=C(N[C@@H](CO)C(F)(F)F)c1cccc(O)c1[O-] ZINC001148224131 840766659 /nfs/dbraw/zinc/76/66/59/840766659.db2.gz CYYCZXFIDLLOOL-ZETCQYMHSA-N -1 3 265.187 0.751 20 10 CCCDHM Cc1ncc(CNC(=O)c2cc(O)c([O-])c(O)c2)cn1 ZINC001148589531 840854033 /nfs/dbraw/zinc/85/40/33/840854033.db2.gz AKRCCLFTCTWDRK-UHFFFAOYSA-N -1 3 275.264 0.832 20 10 CCCDHM CCN1CC[C@H](NCC(=O)c2ccc([O-])c(O)c2)CC1=O ZINC001172033508 841812855 /nfs/dbraw/zinc/81/28/55/841812855.db2.gz NFHZROOYUVLSDT-NSHDSACASA-N -1 3 292.335 0.881 20 10 CCCDHM COC(=O)CCS(=O)(=O)[N-]c1ccc(O)cc1O ZINC001188344662 844870572 /nfs/dbraw/zinc/87/05/72/844870572.db2.gz NFCNZCCFVNKJEL-UHFFFAOYSA-N -1 3 275.282 0.403 20 10 CCCDHM O=C(CCn1cnnn1)NCc1c([O-])cccc1F ZINC001335312432 920116649 /nfs/dbraw/zinc/11/66/49/920116649.db2.gz VMTQNVDGOPVSFE-UHFFFAOYSA-N -1 3 265.248 0.224 20 10 CCCDHM Cn1ccnc1C1(O)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC001348017781 924579830 /nfs/dbraw/zinc/57/98/30/924579830.db2.gz YLDFWBSMLRHMAJ-UHFFFAOYSA-N -1 3 289.291 0.175 20 10 CCCDHM COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccccc1[O-] ZINC000188788562 351628330 /nfs/dbraw/zinc/62/83/30/351628330.db2.gz SCKLWGYCABQREK-OLZOCXBDSA-N -1 3 265.309 0.891 20 10 CCCDHM CCC[C@H]1C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000193151206 351813783 /nfs/dbraw/zinc/81/37/83/351813783.db2.gz WVYCLSWPPUPDLY-JTQLQIEISA-N -1 3 278.308 0.839 20 10 CCCDHM Cc1ccc(C(=O)N[C@@]2(CO)CCOC2)c([O-])c1O ZINC000273598725 353112760 /nfs/dbraw/zinc/11/27/60/353112760.db2.gz RMFGMWCMEDGRSX-CYBMUJFWSA-N -1 3 267.281 0.287 20 10 CCCDHM Cc1ccc(C(=O)N(C)CC(C)(CO)CO)c([O-])c1O ZINC000272793238 353095073 /nfs/dbraw/zinc/09/50/73/353095073.db2.gz XBEIPAKOUNOQFH-UHFFFAOYSA-N -1 3 283.324 0.469 20 10 CCCDHM CS[C@@H](CO)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000230107722 389157349 /nfs/dbraw/zinc/15/73/49/389157349.db2.gz UESHYIYTFAXMNO-XCBNKYQSSA-N -1 3 271.338 0.940 20 10 CCCDHM O=C1NC[C@@H]2CN(Cc3cccc(F)c3[O-])CCN12 ZINC000160246894 389384525 /nfs/dbraw/zinc/38/45/25/389384525.db2.gz YBADYYYXVMZNFF-SNVBAGLBSA-N -1 3 265.288 0.741 20 10 CCCDHM Cc1ccc(C(=O)NCC(C)(C)C(N)=O)c([O-])c1O ZINC000179435265 389655849 /nfs/dbraw/zinc/65/58/49/389655849.db2.gz LHDQBWJBZLFYHE-UHFFFAOYSA-N -1 3 266.297 0.648 20 10 CCCDHM Cc1ccc(C(=O)NC[C@]2(O)CCOC2)c([O-])c1O ZINC000272553902 263006592 /nfs/dbraw/zinc/00/65/92/263006592.db2.gz BJIMGEIACIVRSB-CYBMUJFWSA-N -1 3 267.281 0.287 20 10 CCCDHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C(=O)O1 ZINC000298562374 300435275 /nfs/dbraw/zinc/43/52/75/300435275.db2.gz ZNPBGKWYUXGRSY-POYBYMJQSA-N -1 3 251.238 0.532 20 10 CCCDHM O=C(NCCN1CCSCC1)c1cccc(O)c1[O-] ZINC000229315591 333303486 /nfs/dbraw/zinc/30/34/86/333303486.db2.gz NSODIMIVIFDJAE-UHFFFAOYSA-N -1 3 282.365 0.876 20 10 CCCDHM COCCCN(CCO)C(=O)c1ccc(C)c(O)c1[O-] ZINC000275855181 523243785 /nfs/dbraw/zinc/24/37/85/523243785.db2.gz IKLNGLDECKSXRI-UHFFFAOYSA-N -1 3 283.324 0.877 20 10 CCCDHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])[C@H](C)O ZINC000191014387 523927627 /nfs/dbraw/zinc/92/76/27/523927627.db2.gz AXLOHNFQJXDPOQ-WRWORJQWSA-N -1 3 257.261 0.543 20 10 CCCDHM COCCO[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000275355273 524032417 /nfs/dbraw/zinc/03/24/17/524032417.db2.gz ACMVUDZRIRMRGT-SNVBAGLBSA-N -1 3 281.308 0.975 20 10 CCCDHM O=C(NC[C@H](O)COCC1CC1)c1cccc(O)c1[O-] ZINC000790841641 581200610 /nfs/dbraw/zinc/20/06/10/581200610.db2.gz WXUQSGLZBSTGDC-JTQLQIEISA-N -1 3 281.308 0.615 20 10 CCCDHM COC(COCCNC(=O)c1cccc(O)c1[O-])OC ZINC000790961147 581203378 /nfs/dbraw/zinc/20/33/78/581203378.db2.gz YRAVDFWRERTECK-UHFFFAOYSA-N -1 3 285.296 0.463 20 10 CCCDHM C[C@@H]1OCC[C@]1(O)CNC(=O)c1cc([O-])cs1 ZINC000791044743 581205324 /nfs/dbraw/zinc/20/53/24/581205324.db2.gz NLYCQKLZGPEYLS-CPCISQLKSA-N -1 3 257.311 0.723 20 10 CCCDHM Cc1ccc(C(=O)N2CCS(=O)CC2)c([O-])c1O ZINC000780930050 581249865 /nfs/dbraw/zinc/24/98/65/581249865.db2.gz JBYSCFHHFVLUOT-UHFFFAOYSA-N -1 3 269.322 0.611 20 10 CCCDHM CC1(C)CN(C(=O)c2cc([O-])cs2)CCN1CCO ZINC000782056346 581286460 /nfs/dbraw/zinc/28/64/60/581286460.db2.gz SRBOSENCNDEHHM-UHFFFAOYSA-N -1 3 284.381 0.982 20 10 CCCDHM CN1CC[C@@H](NC(=O)c2cccc(O)c2[O-])CC1=O ZINC000793920322 581319684 /nfs/dbraw/zinc/31/96/84/581319684.db2.gz PAYPPSYFNXIHKT-MRVPVSSYSA-N -1 3 264.281 0.448 20 10 CCCDHM CN1C(=S)N=NC1CNC(=O)c1cc([O-])cs1 ZINC000732287377 581817288 /nfs/dbraw/zinc/81/72/88/581817288.db2.gz WCJNAENVIZNMTG-UHFFFAOYSA-N -1 3 270.339 0.801 20 10 CCCDHM O=C(NCCCN1C(=O)CCC1=O)c1cc([O-])cs1 ZINC000732288543 581817753 /nfs/dbraw/zinc/81/77/53/581817753.db2.gz BYWAAXWLIXVGIH-UHFFFAOYSA-N -1 3 282.321 0.723 20 10 CCCDHM NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000760147621 581846070 /nfs/dbraw/zinc/84/60/70/581846070.db2.gz IJRMQPDUSDZBCZ-SFYZADRCSA-N -1 3 270.310 0.216 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CCS(=O)(=O)C1 ZINC000762919861 581971489 /nfs/dbraw/zinc/97/14/89/581971489.db2.gz JJMXWSNBGMAAMD-MRVPVSSYSA-N -1 3 289.378 0.960 20 10 CCCDHM COCCOC1CN(C(=O)c2cc([O-])cs2)C1 ZINC000748403502 581973600 /nfs/dbraw/zinc/97/36/00/581973600.db2.gz GSKDVNMRDVZNNC-UHFFFAOYSA-N -1 3 257.311 0.941 20 10 CCCDHM COc1cccc([O-])c1CN1CCN2C(=O)N=NC2C1 ZINC000776519613 582075532 /nfs/dbraw/zinc/07/55/32/582075532.db2.gz ALJCJNNCRFUEBO-UHFFFAOYSA-N -1 3 276.296 0.714 20 10 CCCDHM COC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000768448524 582106818 /nfs/dbraw/zinc/10/68/18/582106818.db2.gz VSLCCAMCOSHKDZ-FZMZJTMJSA-N -1 3 295.335 0.665 20 10 CCCDHM COc1ccc(O)c([C@@H](C)NCC(=O)NCC(=O)[O-])c1 ZINC000820846090 617273887 /nfs/dbraw/zinc/27/38/87/617273887.db2.gz RCXSCCHHTYBGJI-MRVPVSSYSA-N -1 3 282.296 0.252 20 10 CCCDHM CCN(CCC(=O)NC)C(=O)c1cccc(O)c1[O-] ZINC000888269855 615029837 /nfs/dbraw/zinc/02/98/37/615029837.db2.gz UGQYPDRNEMCHOQ-UHFFFAOYSA-N -1 3 266.297 0.696 20 10 CCCDHM CN(C)C(=O)CCNC(=O)NCc1c([O-])cccc1F ZINC000914198684 615956134 /nfs/dbraw/zinc/95/61/34/615956134.db2.gz LRWDFPKGTXATBH-UHFFFAOYSA-N -1 3 283.303 0.809 20 10 CCCDHM CN(C)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000830184709 615969472 /nfs/dbraw/zinc/96/94/72/615969472.db2.gz MWWNNLWYFSOJKV-UHFFFAOYSA-N -1 3 252.242 0.889 20 10 CCCDHM CN1CCO[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000916882517 616261992 /nfs/dbraw/zinc/26/19/92/616261992.db2.gz JATNAXIYXWCNCU-SNVBAGLBSA-N -1 3 297.330 0.661 20 10 CCCDHM COCCNC(=O)C1(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000838346723 616484641 /nfs/dbraw/zinc/48/46/41/616484641.db2.gz WDETZIZOTQLJSJ-UHFFFAOYSA-N -1 3 294.307 0.123 20 10 CCCDHM CON(C)C(=O)CNC(=O)NCc1c([O-])cccc1F ZINC000922936996 617032062 /nfs/dbraw/zinc/03/20/62/617032062.db2.gz JWEVFVCPYYQKBA-UHFFFAOYSA-N -1 3 285.275 0.350 20 10 CCCDHM CON1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000817694946 617088156 /nfs/dbraw/zinc/08/81/56/617088156.db2.gz LYSZPDWVHSQDMN-UHFFFAOYSA-N -1 3 266.297 0.853 20 10 CCCDHM O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(O)c1[O-] ZINC000193127066 625514954 /nfs/dbraw/zinc/51/49/54/625514954.db2.gz ISFPUJUEWNDWJC-MRVPVSSYSA-N -1 3 276.292 0.591 20 10 CCCDHM C[S@](=O)CCNC(=O)NCc1c([O-])cccc1F ZINC000920316343 638133052 /nfs/dbraw/zinc/13/30/52/638133052.db2.gz NMGVAOBUMCYPGT-SFHVURJKSA-N -1 3 274.317 0.709 20 10 CCCDHM C[C@@H]1CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000920462533 638139779 /nfs/dbraw/zinc/13/97/79/638139779.db2.gz CXEKGLPSZUIZFR-MRVPVSSYSA-N -1 3 284.337 0.998 20 10 CCCDHM O=S(=O)(C[C@@H]1CCOC1)NCc1c([O-])cccc1F ZINC000921452491 638185118 /nfs/dbraw/zinc/18/51/18/638185118.db2.gz QPOPLAULWLCLAL-SECBINFHSA-N -1 3 289.328 0.987 20 10 CCCDHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc(O)c1[O-] ZINC000193140110 649528246 /nfs/dbraw/zinc/52/82/46/649528246.db2.gz GPDUCDIHSYSHKM-UHFFFAOYSA-N -1 3 292.251 0.633 20 10 CCCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@@H](O)[C@H](CO)C1 ZINC001237124649 806640524 /nfs/dbraw/zinc/64/05/24/806640524.db2.gz PVMGFAYLWWECSO-WRWORJQWSA-N -1 3 275.707 0.970 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)[C@H](CO)C2)c1[O-] ZINC000316401566 804698430 /nfs/dbraw/zinc/69/84/30/804698430.db2.gz HDHIXPCDKVICSD-GXFFZTMASA-N -1 3 283.299 0.519 20 10 CCCDHM CCOC(=O)C[C@H](O)CNCC(=O)c1ccc([O-])c(O)c1 ZINC001253809999 808150841 /nfs/dbraw/zinc/15/08/41/808150841.db2.gz UHDJLLNLDHKGJR-JTQLQIEISA-N -1 3 297.307 0.184 20 10 CCCDHM CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000725031606 811193988 /nfs/dbraw/zinc/19/39/88/811193988.db2.gz KBABYPCSABYKAE-MWLCHTKSSA-N -1 3 267.281 0.632 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCS1(=O)=O ZINC000707414596 819741197 /nfs/dbraw/zinc/74/11/97/819741197.db2.gz PATSULOQQYAJRA-QMMMGPOBSA-N -1 3 285.321 0.357 20 10 CCCDHM CC(=O)N1CCC[C@@H](NCC(=O)c2ccc([O-])c(O)c2)C1 ZINC001169584325 836380828 /nfs/dbraw/zinc/38/08/28/836380828.db2.gz IWAKTUNNWATQKQ-GFCCVEGCSA-N -1 3 292.335 0.881 20 10 CCCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCCCNC1=O ZINC001136520871 839647005 /nfs/dbraw/zinc/64/70/05/839647005.db2.gz JDJZQCRBSHIRSE-JTQLQIEISA-N -1 3 278.308 0.839 20 10 CCCDHM COC(=O)[C@@]1(C)COCCN1C(=O)c1cccc(O)c1[O-] ZINC001148218469 840764365 /nfs/dbraw/zinc/76/43/65/840764365.db2.gz DRAYBAGIVSZKCS-CQSZACIVSA-N -1 3 295.291 0.502 20 10 CCCDHM COC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC001148224119 840767159 /nfs/dbraw/zinc/76/71/59/840767159.db2.gz CNMBWGPVKNKAIB-MRVPVSSYSA-N -1 3 293.197 0.932 20 10 CCCDHM O=C(NCCn1ccnc1)c1cc(O)c([O-])c(O)c1 ZINC001148580575 840848834 /nfs/dbraw/zinc/84/88/34/840848834.db2.gz HXVZIJJGXDVFAF-UHFFFAOYSA-N -1 3 263.253 0.430 20 10 CCCDHM CO[C@@H]1COCC[C@H]1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590201 840856495 /nfs/dbraw/zinc/85/64/95/840856495.db2.gz YSPBIUMJSUULEL-LDYMZIIASA-N -1 3 283.280 0.337 20 10 CCCDHM CN1CCC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1=O ZINC001148590120 840857659 /nfs/dbraw/zinc/85/76/59/840857659.db2.gz XJTPYTNQISBXIP-QMMMGPOBSA-N -1 3 280.280 0.154 20 10 CCCDHM O=C(NCC1OCCCO1)c1cccc(O)c1[O-] ZINC000716385994 841650268 /nfs/dbraw/zinc/65/02/68/841650268.db2.gz KDTCQIORLPUWLR-UHFFFAOYSA-N -1 3 253.254 0.591 20 10 CCCDHM O=C([O-])c1cnn2c1[nH]c(CN1CC[C@@H](CF)C1)cc2=O ZINC001332454778 918169971 /nfs/dbraw/zinc/16/99/71/918169971.db2.gz FMOSJILBLJCWOJ-QMMMGPOBSA-N -1 3 294.286 0.925 20 10 CCCDHM CCOC(=O)CN(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000111236349 349767613 /nfs/dbraw/zinc/76/76/13/349767613.db2.gz CTLGLVMCWIJPCD-UHFFFAOYSA-N -1 3 294.351 0.846 20 10 CCCDHM COC(=O)[C@H]1C[C@H](O)CN1Cc1ccccc1[O-] ZINC000188616634 351612447 /nfs/dbraw/zinc/61/24/47/351612447.db2.gz NDMYXSDPBAHBRA-WDEREUQCSA-N -1 3 251.282 0.500 20 10 CCCDHM C[C@@H](CN1CCCC1=O)NC(=O)c1cccc(O)c1[O-] ZINC000192988042 351806162 /nfs/dbraw/zinc/80/61/62/351806162.db2.gz YZVQEBLXRJLWHA-VIFPVBQESA-N -1 3 278.308 0.839 20 10 CCCDHM Cc1ccc(C(=O)NCCN2C(=O)CCC2=O)c([O-])c1O ZINC000271248281 353033184 /nfs/dbraw/zinc/03/31/84/353033184.db2.gz GRCYNTYKMSUCQJ-UHFFFAOYSA-N -1 3 292.291 0.285 20 10 CCCDHM C[C@H](C[S@](C)=O)NC(=O)c1cccc(O)c1[O-] ZINC000126550357 389170091 /nfs/dbraw/zinc/17/00/91/389170091.db2.gz SBZNHTYPUUDZRU-IWEMQMMOSA-N -1 3 257.311 0.595 20 10 CCCDHM C[C@@H]1CN(Cc2ccccc2[O-])C[C@@H](C(N)=O)O1 ZINC000179586358 389660066 /nfs/dbraw/zinc/66/00/66/389660066.db2.gz PIZGVRSYQXZKAC-SKDRFNHKSA-N -1 3 250.298 0.467 20 10 CCCDHM COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000275565299 291958688 /nfs/dbraw/zinc/95/86/88/291958688.db2.gz NABCQJTXKCQPCT-MWLCHTKSSA-N -1 3 295.291 0.236 20 10 CCCDHM CC1(C)[C@H](O)C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000129666746 260389904 /nfs/dbraw/zinc/38/99/04/260389904.db2.gz DEBBCENZBPXVNO-NXEZZACHSA-N -1 3 251.282 0.987 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1CO ZINC000276824221 263038290 /nfs/dbraw/zinc/03/82/90/263038290.db2.gz JJPIDISDBDFYRO-BDAKNGLRSA-N -1 3 251.282 0.798 20 10 CCCDHM C[C@H](CO)N(C[C@H](C)O)C(=O)c1cccc(O)c1[O-] ZINC000280494343 524545261 /nfs/dbraw/zinc/54/52/61/524545261.db2.gz PACSUHLWQHIMMU-BDAKNGLRSA-N -1 3 269.297 0.302 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cn[nH]n2)c1 ZINC000790064559 581175059 /nfs/dbraw/zinc/17/50/59/581175059.db2.gz TZKDIDGFCGDBGX-UHFFFAOYSA-N -1 3 297.296 0.134 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2c[nH]nn2)c1 ZINC000790064559 581175060 /nfs/dbraw/zinc/17/50/60/581175060.db2.gz TZKDIDGFCGDBGX-UHFFFAOYSA-N -1 3 297.296 0.134 20 10 CCCDHM CN(C)c1ccc(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1 ZINC000779432933 581185483 /nfs/dbraw/zinc/18/54/83/581185483.db2.gz LYSRQRWUDXUPGW-CYBMUJFWSA-N -1 3 288.351 0.489 20 10 CCCDHM O=C(NC[C@@H](O)COCC1CC1)c1cccc(O)c1[O-] ZINC000790841643 581200436 /nfs/dbraw/zinc/20/04/36/581200436.db2.gz WXUQSGLZBSTGDC-SNVBAGLBSA-N -1 3 281.308 0.615 20 10 CCCDHM C[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc(O)c1[O-] ZINC000783763687 581360669 /nfs/dbraw/zinc/36/06/69/581360669.db2.gz XTDBDQVNLKXVRU-MRVPVSSYSA-N -1 3 264.281 0.401 20 10 CCCDHM COc1cccc([O-])c1CN1CCN(C[C@H](C)O)CC1 ZINC000769327865 581684248 /nfs/dbraw/zinc/68/42/48/581684248.db2.gz NFWYKYJHUKCVFB-LBPRGKRZSA-N -1 3 280.368 0.899 20 10 CCCDHM CCNC(=O)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731909145 581789478 /nfs/dbraw/zinc/78/94/78/581789478.db2.gz BERHKMCDIIUBCM-UHFFFAOYSA-N -1 3 272.282 0.456 20 10 CCCDHM O=C(NCCNC(=O)C1CC1)c1cc([O-])cs1 ZINC000732264154 581811527 /nfs/dbraw/zinc/81/15/27/581811527.db2.gz BINSHVVBELNNAA-UHFFFAOYSA-N -1 3 254.311 0.710 20 10 CCCDHM CN(CCCNC(=O)c1cc([O-])cs1)S(C)(=O)=O ZINC000732269735 581812025 /nfs/dbraw/zinc/81/20/25/581812025.db2.gz LGSJXMQHDUXOHQ-UHFFFAOYSA-N -1 3 292.382 0.465 20 10 CCCDHM C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc([O-])cs1 ZINC000764716410 582064208 /nfs/dbraw/zinc/06/42/08/582064208.db2.gz WPTKWIXSGMWXSN-IONNQARKSA-N -1 3 257.311 0.676 20 10 CCCDHM COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCC(=O)[O-])c1 ZINC000833733166 617274101 /nfs/dbraw/zinc/27/41/01/617274101.db2.gz ATTHJJDULFKQAX-RKDXNWHRSA-N -1 3 296.323 0.641 20 10 CCCDHM CC(=O)C(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000808493733 613660572 /nfs/dbraw/zinc/66/05/72/613660572.db2.gz NCJGCQBNJMOGRM-UHFFFAOYSA-N -1 3 299.304 0.373 20 10 CCCDHM CC[C@@H](CN1CCOCC1)NC(=O)c1cccc(O)c1[O-] ZINC000928642859 615479501 /nfs/dbraw/zinc/47/95/01/615479501.db2.gz IHXROCOZOROZNJ-NSHDSACASA-N -1 3 294.351 0.938 20 10 CCCDHM CN(CC(=O)NCc1c([O-])cccc1F)S(C)(=O)=O ZINC000928712684 616047637 /nfs/dbraw/zinc/04/76/37/616047637.db2.gz WBGCECMRAZJKSM-UHFFFAOYSA-N -1 3 290.316 0.039 20 10 CCCDHM CN(CCS(C)(=O)=O)C(=O)c1cccc(O)c1[O-] ZINC000126478208 616119530 /nfs/dbraw/zinc/11/95/30/616119530.db2.gz RWRUILPPBIAMRM-UHFFFAOYSA-N -1 3 273.310 0.214 20 10 CCCDHM COC(=O)C1(O)CN(Cc2cc(F)ccc2[O-])C1 ZINC000877771353 616384833 /nfs/dbraw/zinc/38/48/33/616384833.db2.gz VZSJQONVTSLQLE-UHFFFAOYSA-N -1 3 255.245 0.251 20 10 CCCDHM COC(=O)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000126504274 616685560 /nfs/dbraw/zinc/68/55/60/616685560.db2.gz CCXKFVDFAKBBTI-SNVBAGLBSA-N -1 3 281.264 0.112 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](C2OCCO2)C1 ZINC000927991870 631654520 /nfs/dbraw/zinc/65/45/20/631654520.db2.gz KFIPRAWXHDSPQU-SECBINFHSA-N -1 3 279.292 0.933 20 10 CCCDHM Cc1noc(CCNC(=O)c2cccc(O)c2[O-])n1 ZINC000187044930 639982668 /nfs/dbraw/zinc/98/26/68/639982668.db2.gz MATDJCQCCPYIKD-UHFFFAOYSA-N -1 3 263.253 0.762 20 10 CCCDHM COc1cccc2c(C(=O)OCC(=O)C(C)=O)n[n-]c21 ZINC000808673153 640873302 /nfs/dbraw/zinc/87/33/02/640873302.db2.gz KNYXIFYTQYOFTH-UHFFFAOYSA-N -1 3 276.248 0.886 20 10 CCCDHM COc1cccc2c(C(=O)OCC(=O)C(C)=O)[n-]nc21 ZINC000808673153 640873303 /nfs/dbraw/zinc/87/33/03/640873303.db2.gz KNYXIFYTQYOFTH-UHFFFAOYSA-N -1 3 276.248 0.886 20 10 CCCDHM Cc1ccc(C(=O)N2CN(C)C(=O)[C@H]2C)c([O-])c1O ZINC000844103550 643154196 /nfs/dbraw/zinc/15/41/96/643154196.db2.gz PYGYRFGSGYWOQH-MRVPVSSYSA-N -1 3 264.281 0.666 20 10 CCCDHM O=C(N[C@H]1CC(=O)N(CC2CC2)C1)c1cccc(O)c1[O-] ZINC000882928891 647462783 /nfs/dbraw/zinc/46/27/83/647462783.db2.gz VBBYUXYGJDBWKO-JTQLQIEISA-N -1 3 290.319 0.839 20 10 CCCDHM Cn1cnnc1COCC(=O)NCc1c([O-])cccc1F ZINC000928705334 648657882 /nfs/dbraw/zinc/65/78/82/648657882.db2.gz GZWHLTLUJTYVAF-UHFFFAOYSA-N -1 3 294.286 0.493 20 10 CCCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)N1CCN(C)CC1 ZINC000928704958 648658377 /nfs/dbraw/zinc/65/83/77/648658377.db2.gz GODMKKSPBPLZFN-LLVKDONJSA-N -1 3 295.358 0.783 20 10 CCCDHM CN1C[C@H](CNC(=O)c2cccc(O)c2[O-])CC1=O ZINC000723389055 791194324 /nfs/dbraw/zinc/19/43/24/791194324.db2.gz SZLZSJWTLXUFQR-QMMMGPOBSA-N -1 3 264.281 0.306 20 10 CCCDHM Cn1ncc2c1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001141218879 799990089 /nfs/dbraw/zinc/99/00/89/799990089.db2.gz KFWMZMZDRBNPEQ-UHFFFAOYSA-N -1 3 259.265 0.987 20 10 CCCDHM CN1CCC12CN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001270070377 813612285 /nfs/dbraw/zinc/61/22/85/813612285.db2.gz YXYIEQPSBAJQQH-UHFFFAOYSA-N -1 3 264.281 0.334 20 10 CCCDHM CN1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000703725918 819321921 /nfs/dbraw/zinc/32/19/21/819321921.db2.gz RJAPQXSFVJYDHU-SECBINFHSA-N -1 3 264.281 0.448 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](F)C[C@H](CO)C1 ZINC001148212467 840761845 /nfs/dbraw/zinc/76/18/45/840761845.db2.gz YZHNJPWNSROWFQ-DTWKUNHWSA-N -1 3 269.272 0.890 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CNC(=O)N2)CC1 ZINC001148218641 840763555 /nfs/dbraw/zinc/76/35/55/840763555.db2.gz JHRJRNOEGPCTQF-UHFFFAOYSA-N -1 3 291.307 0.385 20 10 CCCDHM CN1C[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]2C1=O ZINC001148214759 840764508 /nfs/dbraw/zinc/76/45/08/840764508.db2.gz WTLKCBWTSRNDCY-SCZZXKLOSA-N -1 3 276.292 0.258 20 10 CCCDHM COc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)ncn1 ZINC001148581721 840849997 /nfs/dbraw/zinc/84/99/97/840849997.db2.gz SLXCZTOMWIGQCU-UHFFFAOYSA-N -1 3 277.236 0.854 20 10 CCCDHM C[C@@H]1C[C@H](O)CCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583879 840853924 /nfs/dbraw/zinc/85/39/24/840853924.db2.gz FKFZAFLHSYYMSU-VXNVDRBHSA-N -1 3 267.281 0.789 20 10 CCCDHM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001353580968 925877558 /nfs/dbraw/zinc/87/75/58/925877558.db2.gz FJNZEPHMXAAEJD-PRHODGIISA-N -1 3 295.314 0.855 20 10 CCCDHM C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268085 994592345 /nfs/dbraw/zinc/59/23/45/994592345.db2.gz SEXAFWSRMBKNEY-CMPLNLGQSA-N -1 3 294.351 0.808 20 10 CCCDHM CNC(=O)CCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272741593 353090045 /nfs/dbraw/zinc/09/00/45/353090045.db2.gz MDXGYNDDSQZXKN-UHFFFAOYSA-N -1 3 266.297 0.662 20 10 CCCDHM Cc1ccc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c([O-])c1O ZINC000282404546 353420419 /nfs/dbraw/zinc/42/04/19/353420419.db2.gz PHPREDCRFGAKJS-VIFPVBQESA-N -1 3 278.308 0.709 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C)C(=O)NCCF)c([O-])c1O ZINC000282542561 353433536 /nfs/dbraw/zinc/43/35/36/353433536.db2.gz QDBHEUKMJXJYKP-MRVPVSSYSA-N -1 3 284.287 0.610 20 10 CCCDHM COc1cc(Cl)cc(CN2C[C@H](O)C[C@H]2CO)c1[O-] ZINC000363934713 262039144 /nfs/dbraw/zinc/03/91/44/262039144.db2.gz WBGYHJFGDCNBRZ-WDEREUQCSA-N -1 3 287.743 0.982 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)c([O-])c1O ZINC000293341384 328543982 /nfs/dbraw/zinc/54/39/82/328543982.db2.gz GNROXOUPLHRRIU-WCBMZHEXSA-N -1 3 299.348 0.569 20 10 CCCDHM COCC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000291589883 521854741 /nfs/dbraw/zinc/85/47/41/521854741.db2.gz QWUGHQNPQYZNHW-SECBINFHSA-N -1 3 283.280 0.406 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](OCCO)C1 ZINC000275411330 526772408 /nfs/dbraw/zinc/77/24/08/526772408.db2.gz HAAGTVKUPNOINF-JTQLQIEISA-N -1 3 281.308 0.711 20 10 CCCDHM Cc1ccc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)c([O-])c1O ZINC000780984792 581130550 /nfs/dbraw/zinc/13/05/50/581130550.db2.gz YKNNWVVQQMRPCR-UWVGGRQHSA-N -1 3 281.308 0.628 20 10 CCCDHM NC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000790896058 581201470 /nfs/dbraw/zinc/20/14/70/581201470.db2.gz YGWAFLFFQMSJGY-UHFFFAOYSA-N -1 3 262.225 0.172 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC2(COC(=O)N2)CC1 ZINC000790927728 581202724 /nfs/dbraw/zinc/20/27/24/581202724.db2.gz MRDYFFLYZSDOAV-UHFFFAOYSA-N -1 3 292.291 0.812 20 10 CCCDHM Cc1ccc(C(=O)NCCN2CCO[C@@H](C)C2)c([O-])c1O ZINC000780920678 581249522 /nfs/dbraw/zinc/24/95/22/581249522.db2.gz QEXMIYLRNBCELW-NSHDSACASA-N -1 3 294.351 0.857 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](CO)C2CC2)c([O-])c1O ZINC000781015235 581256359 /nfs/dbraw/zinc/25/63/59/581256359.db2.gz NGPQTWKHEXOHJT-JTQLQIEISA-N -1 3 251.282 0.907 20 10 CCCDHM CNC(=O)[C@@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000782131900 581289520 /nfs/dbraw/zinc/28/95/20/581289520.db2.gz AJMGAUTZMYAGRG-QMMMGPOBSA-N -1 3 270.310 0.041 20 10 CCCDHM COCCN(CC(=O)N(C)C)Cc1c([O-])cccc1OC ZINC000768755885 581654534 /nfs/dbraw/zinc/65/45/34/581654534.db2.gz SJPKCBXETKITML-UHFFFAOYSA-N -1 3 296.367 0.937 20 10 CCCDHM COCCN(Cc1c([O-])cccc1OC)[C@H](C)C(N)=O ZINC000769336773 581684903 /nfs/dbraw/zinc/68/49/03/581684903.db2.gz AQSHVIHRWNERNR-SNVBAGLBSA-N -1 3 282.340 0.723 20 10 CCCDHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc([O-])cs1 ZINC000769382406 581686545 /nfs/dbraw/zinc/68/65/45/581686545.db2.gz NFHWFBTVQVMBBL-UHFFFAOYSA-N -1 3 282.281 0.988 20 10 CCCDHM C[C@H](Cn1cncn1)NC(=O)c1cc([O-])cs1 ZINC000732273082 581813369 /nfs/dbraw/zinc/81/33/69/581813369.db2.gz VRZKHOQLKMJIEV-SSDOTTSWSA-N -1 3 252.299 0.864 20 10 CCCDHM C[C@H]1CN(CCNC(=O)c2cc([O-])cs2)CCO1 ZINC000732280557 581815827 /nfs/dbraw/zinc/81/58/27/581815827.db2.gz DDGJFYGJIVMBDI-VIFPVBQESA-N -1 3 270.354 0.904 20 10 CCCDHM O=C1CN(Cc2cc3c(cc2[O-])OCO3)CCN1C1CC1 ZINC000748271344 581967992 /nfs/dbraw/zinc/96/79/92/581967992.db2.gz WHQYDVROMBIOQW-UHFFFAOYSA-N -1 3 290.319 0.928 20 10 CCCDHM CNC(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000748404052 581973471 /nfs/dbraw/zinc/97/34/71/581973471.db2.gz NUHMAWMNXKLXKP-UHFFFAOYSA-N -1 3 269.326 0.551 20 10 CCCDHM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000775618935 582032593 /nfs/dbraw/zinc/03/25/93/582032593.db2.gz NOSKDGSETMUTDU-ZJUUUORDSA-N -1 3 298.364 0.819 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NN2CCCC2)c1 ZINC000839793785 617178561 /nfs/dbraw/zinc/17/85/61/617178561.db2.gz QIFKMNKCXAMOFK-UHFFFAOYSA-N -1 3 299.352 0.504 20 10 CCCDHM C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C(=O)[O-] ZINC000833629063 604544611 /nfs/dbraw/zinc/54/46/11/604544611.db2.gz DSBIAMKBWNJDCA-DYLAAIIWSA-N -1 3 293.319 0.971 20 10 CCCDHM C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C(=O)[O-] ZINC000833629063 604544619 /nfs/dbraw/zinc/54/46/19/604544619.db2.gz DSBIAMKBWNJDCA-DYLAAIIWSA-N -1 3 293.319 0.971 20 10 CCCDHM CCOC(=O)[C@@H](CCOC)NC(=O)c1cccc(O)c1[O-] ZINC000799071869 615275329 /nfs/dbraw/zinc/27/53/29/615275329.db2.gz UZQKNYRHYZFOGB-SNVBAGLBSA-N -1 3 297.307 0.796 20 10 CCCDHM CN1CCN(Cc2cc(F)cc(F)c2[O-])[C@@H](CO)C1 ZINC000895358822 616244803 /nfs/dbraw/zinc/24/48/03/616244803.db2.gz DDHWKPPNGGPXBY-LLVKDONJSA-N -1 3 272.295 0.779 20 10 CCCDHM COC1(OC)CCOC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000912845670 616476366 /nfs/dbraw/zinc/47/63/66/616476366.db2.gz VDFRIJYXBGFQOW-NSHDSACASA-N -1 3 297.307 0.606 20 10 CCCDHM COC1(OC)CCOC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000912845669 616481252 /nfs/dbraw/zinc/48/12/52/616481252.db2.gz VDFRIJYXBGFQOW-LLVKDONJSA-N -1 3 297.307 0.606 20 10 CCCDHM COC(=O)N(C)CC(=O)NCc1c([O-])cccc1F ZINC000928712682 616747671 /nfs/dbraw/zinc/74/76/71/616747671.db2.gz VYLGACWMFPRFNJ-UHFFFAOYSA-N -1 3 270.260 0.846 20 10 CCCDHM O=C(NCC[C@H](O)C1CC1)c1cccc(O)c1[O-] ZINC000890719584 624586502 /nfs/dbraw/zinc/58/65/02/624586502.db2.gz HYZWAMCBWAFBRK-JTQLQIEISA-N -1 3 251.282 0.989 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC2(C1)CCNC(=O)O2 ZINC000888413365 639428239 /nfs/dbraw/zinc/42/82/39/639428239.db2.gz QEZYYDJYFPJJMZ-UHFFFAOYSA-N -1 3 278.264 0.422 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000922442059 639696742 /nfs/dbraw/zinc/69/67/42/639696742.db2.gz DNQWTIDRKPZLBT-SKDRFNHKSA-N -1 3 290.319 0.839 20 10 CCCDHM NC(=O)CN1CCN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000839170439 640304138 /nfs/dbraw/zinc/30/41/38/640304138.db2.gz MSUVTLWCIXRUIQ-UHFFFAOYSA-N -1 3 297.742 0.175 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](CF)C1 ZINC000839803814 640407622 /nfs/dbraw/zinc/40/76/22/640407622.db2.gz KACZFJIVWMJOON-QMMMGPOBSA-N -1 3 255.245 0.908 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C1(S(C)(=O)=O)CC1 ZINC000804542850 640772269 /nfs/dbraw/zinc/77/22/69/640772269.db2.gz PGFXCXQDFWBYSK-MRVPVSSYSA-N -1 3 299.348 0.793 20 10 CCCDHM O=C(NCC[C@@H]1CNC(=O)C1)c1cccc(O)c1[O-] ZINC000831951917 642417020 /nfs/dbraw/zinc/41/70/20/642417020.db2.gz ZNFIYVAEMOSWMI-QMMMGPOBSA-N -1 3 264.281 0.354 20 10 CCCDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])[C@@H]1CCOC1 ZINC000855210280 644294899 /nfs/dbraw/zinc/29/48/99/644294899.db2.gz MFXBGIWOMXSIJK-BXKDBHETSA-N -1 3 281.308 0.879 20 10 CCCDHM Cn1cc(C[C@@H](O)C(=O)NCc2c([O-])cccc2F)cn1 ZINC000928708510 648659024 /nfs/dbraw/zinc/65/90/24/648659024.db2.gz NIGAHDVFASHUGS-CYBMUJFWSA-N -1 3 293.298 0.485 20 10 CCCDHM O=C([O-])c1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001231446211 805803843 /nfs/dbraw/zinc/80/38/43/805803843.db2.gz FQVWDBAMNQIRST-ZDUSSCGKSA-N -1 3 292.335 0.607 20 10 CCCDHM COC(=O)C[C@]1(NC(=O)c2cccc(O)c2[O-])CCOC1 ZINC001153838790 800676365 /nfs/dbraw/zinc/67/63/65/800676365.db2.gz XXCVZCHLSSIKOA-CQSZACIVSA-N -1 3 295.291 0.550 20 10 CCCDHM O=C(NCCCCCO)c1cc(O)c([O-])c(O)c1 ZINC001221288702 804766738 /nfs/dbraw/zinc/76/67/38/804766738.db2.gz MOIBKMAUJGDDSS-UHFFFAOYSA-N -1 3 255.270 0.696 20 10 CCCDHM O=C(NCCc1nncs1)c1cccc(O)c1[O-] ZINC001148224324 840766105 /nfs/dbraw/zinc/76/61/05/840766105.db2.gz HQQAKJZAHAZFML-UHFFFAOYSA-N -1 3 265.294 0.922 20 10 CCCDHM COCn1cc(NC(=O)c2cc(O)c([O-])c(O)c2)cn1 ZINC001148582567 840849833 /nfs/dbraw/zinc/84/98/33/840849833.db2.gz LDBGTVTVBBRKRG-UHFFFAOYSA-N -1 3 279.252 0.856 20 10 CCCDHM O=C(NCCc1cc[nH]n1)c1cc(O)c([O-])c(O)c1 ZINC001148589604 840856062 /nfs/dbraw/zinc/85/60/62/840856062.db2.gz DJWSBCVJYQJRAN-UHFFFAOYSA-N -1 3 263.253 0.499 20 10 CCCDHM O=S(=O)([N-]C[C@@H](O)c1ccc(O)c(O)c1)c1ccco1 ZINC001186805957 844599267 /nfs/dbraw/zinc/59/92/67/844599267.db2.gz BGHXMTMRRMKYMT-LLVKDONJSA-N -1 3 299.304 0.703 20 10 CCCDHM COC[C@](C)(CO)NC(=O)c1cccc(O)c1[O-] ZINC000716818379 841684541 /nfs/dbraw/zinc/68/45/41/841684541.db2.gz LPHLUIFIIVGGMN-LBPRGKRZSA-N -1 3 255.270 0.225 20 10 CCCDHM COCC[C@@H](COC)NC(=O)c1cccc(O)c1[O-] ZINC000382021154 850445177 /nfs/dbraw/zinc/44/51/77/850445177.db2.gz PIFZZILQANYQFF-VIFPVBQESA-N -1 3 269.297 0.879 20 10 CCCDHM COC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000271305245 353033524 /nfs/dbraw/zinc/03/35/24/353033524.db2.gz UALQZTWDBCDWNL-SSDOTTSWSA-N -1 3 253.254 0.698 20 10 CCCDHM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])N(C)C ZINC000294968099 353891146 /nfs/dbraw/zinc/89/11/46/353891146.db2.gz XDLGYTHTQXTUJH-ZETCQYMHSA-N -1 3 256.277 0.917 20 10 CCCDHM COCCN1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295382402 353893281 /nfs/dbraw/zinc/89/32/81/353893281.db2.gz XQXINCKDUUUZLK-SECBINFHSA-N -1 3 298.314 0.687 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCn2cncc2C1 ZINC000365744623 357169607 /nfs/dbraw/zinc/16/96/07/357169607.db2.gz MCDHZZSTDZCTHR-UHFFFAOYSA-N -1 3 259.265 0.950 20 10 CCCDHM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000185800447 388814043 /nfs/dbraw/zinc/81/40/43/388814043.db2.gz HOMYRYQKLPZMTC-PSASIEDQSA-N -1 3 278.308 0.872 20 10 CCCDHM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000185800427 388814321 /nfs/dbraw/zinc/81/43/21/388814321.db2.gz HOMYRYQKLPZMTC-WPRPVWTQSA-N -1 3 278.308 0.872 20 10 CCCDHM COCCN(Cc1ccccc1[O-])[C@@H](C)C(N)=O ZINC000179571001 389659662 /nfs/dbraw/zinc/65/96/62/389659662.db2.gz WKPSFCBECXIKNH-JTQLQIEISA-N -1 3 252.314 0.714 20 10 CCCDHM COCCN1CCN(Cc2cc(F)ccc2[O-])CC1=O ZINC000181575296 389688726 /nfs/dbraw/zinc/68/87/26/389688726.db2.gz HSSSLETYZSCCAE-UHFFFAOYSA-N -1 3 282.315 0.822 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](CO)[C@H](CO)C2)c1[O-] ZINC000528610723 390761951 /nfs/dbraw/zinc/76/19/51/390761951.db2.gz YCDZLEZERSQYTL-RYUDHWBXSA-N -1 3 297.326 0.767 20 10 CCCDHM Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c([O-])c1O ZINC000186798939 262110240 /nfs/dbraw/zinc/11/02/40/262110240.db2.gz PTKNQXQCOGUBSK-LLVKDONJSA-N -1 3 294.351 0.545 20 10 CCCDHM CCOC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000529891761 333513447 /nfs/dbraw/zinc/51/34/47/333513447.db2.gz DNMIHZKDKCWTJW-JTQLQIEISA-N -1 3 281.308 0.975 20 10 CCCDHM [O-]c1ccc(Br)cc1CN1C[C@@H](O)[C@H](O)C1 ZINC000278128011 526341547 /nfs/dbraw/zinc/34/15/47/526341547.db2.gz BSFYHRGUAHXMHN-GHMZBOCLSA-N -1 3 288.141 0.692 20 10 CCCDHM COC(=O)CN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000789907656 581161484 /nfs/dbraw/zinc/16/14/84/581161484.db2.gz FAKLHGLEWXFHSO-UHFFFAOYSA-N -1 3 284.337 0.385 20 10 CCCDHM CCNC(=O)CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778996050 581172820 /nfs/dbraw/zinc/17/28/20/581172820.db2.gz LAWXERWLEZYVGQ-UHFFFAOYSA-N -1 3 295.358 0.785 20 10 CCCDHM COc1ccc(O)c(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000779432974 581185263 /nfs/dbraw/zinc/18/52/63/581185263.db2.gz MOXDCBHPGKYZGG-NSHDSACASA-N -1 3 291.307 0.137 20 10 CCCDHM C[C@@H]1CN(CCNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000790615797 581191868 /nfs/dbraw/zinc/19/18/68/581191868.db2.gz VPWGOYMANUJSBU-SNVBAGLBSA-N -1 3 280.324 0.548 20 10 CCCDHM C[C@@H]1COCCN1CCNC(=O)c1cccc(O)c1[O-] ZINC000790647894 581192638 /nfs/dbraw/zinc/19/26/38/581192638.db2.gz COLNSXNWKBVNFM-SNVBAGLBSA-N -1 3 280.324 0.548 20 10 CCCDHM CN(CCN1CCCC1=O)C(=O)c1cccc(O)c1[O-] ZINC000790700572 581194642 /nfs/dbraw/zinc/19/46/42/581194642.db2.gz BSILVXBSAUYCED-UHFFFAOYSA-N -1 3 278.308 0.792 20 10 CCCDHM COC1CCN(CCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000790871885 581201270 /nfs/dbraw/zinc/20/12/70/581201270.db2.gz GFRYXQZWLVFJQK-UHFFFAOYSA-N -1 3 294.351 0.938 20 10 CCCDHM C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cc([O-])cs1 ZINC000791044748 581205461 /nfs/dbraw/zinc/20/54/61/581205461.db2.gz NLYCQKLZGPEYLS-WRWORJQWSA-N -1 3 257.311 0.723 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H](O)COCC2CC2)c([O-])c1O ZINC000780970736 581253717 /nfs/dbraw/zinc/25/37/17/581253717.db2.gz ZNNXSXFGVVVZAB-NSHDSACASA-N -1 3 295.335 0.924 20 10 CCCDHM COCC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C(N)=O ZINC000781018592 581256302 /nfs/dbraw/zinc/25/63/02/581256302.db2.gz YVFFHTOFIQDHAB-SECBINFHSA-N -1 3 282.296 0.026 20 10 CCCDHM NS(=O)(=O)NCc1cc(Br)ccc1[O-] ZINC000796191647 581433906 /nfs/dbraw/zinc/43/39/06/581433906.db2.gz YZMHCWJQWZUELO-UHFFFAOYSA-N -1 3 281.131 0.448 20 10 CCCDHM O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cc([O-])cs1 ZINC000752821590 581518172 /nfs/dbraw/zinc/51/81/72/581518172.db2.gz XDOYTHHSTXMOBK-SSDOTTSWSA-N -1 3 266.322 0.947 20 10 CCCDHM O=C1NC(=O)N2CCN(Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC000761216693 581897209 /nfs/dbraw/zinc/89/72/09/581897209.db2.gz NVALCHHUTWNVLY-JTQLQIEISA-N -1 3 279.271 0.267 20 10 CCCDHM CN(CC(=O)[O-])C(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000737411789 581954662 /nfs/dbraw/zinc/95/46/62/581954662.db2.gz APJDFCNBRCEJRN-UHFFFAOYSA-N -1 3 280.324 0.757 20 10 CCCDHM CN(CC(=O)[O-])C(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000737411789 581954663 /nfs/dbraw/zinc/95/46/63/581954663.db2.gz APJDFCNBRCEJRN-UHFFFAOYSA-N -1 3 280.324 0.757 20 10 CCCDHM O=C(NCC1(CO)CCOCC1)c1cc([O-])cs1 ZINC000749291969 582002521 /nfs/dbraw/zinc/00/25/21/582002521.db2.gz QHPUYMNKSHWNJY-UHFFFAOYSA-N -1 3 271.338 0.973 20 10 CCCDHM CC(C)(O)[C@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928710816 614219592 /nfs/dbraw/zinc/21/95/92/614219592.db2.gz KILOUWGJPOPMDY-SNVBAGLBSA-N -1 3 257.261 0.279 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCC(CO)(CO)C2)c1[O-] ZINC000852630041 614249335 /nfs/dbraw/zinc/24/93/35/614249335.db2.gz NIVQKROWRSQJRE-UHFFFAOYSA-N -1 3 297.326 0.911 20 10 CCCDHM CC1(C(N)=O)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895075885 614498680 /nfs/dbraw/zinc/49/86/80/614498680.db2.gz IEXOHNXJXPKLEM-UHFFFAOYSA-N -1 3 256.252 0.978 20 10 CCCDHM CCS(=O)(=O)C1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000836904873 615528266 /nfs/dbraw/zinc/52/82/66/615528266.db2.gz FPSCEEOKGJMQGH-UHFFFAOYSA-N -1 3 285.321 0.357 20 10 CCCDHM CC[C@@H]1COCCN1CCNC(=O)c1cccc(O)c1[O-] ZINC000874706837 615569317 /nfs/dbraw/zinc/56/93/17/615569317.db2.gz YZMWLGUXIPUKBT-LLVKDONJSA-N -1 3 294.351 0.938 20 10 CCCDHM CN1CCO[C@H](C(=O)NCc2c([O-])cccc2F)C1=O ZINC000928711306 616259436 /nfs/dbraw/zinc/25/94/36/616259436.db2.gz MWUVPDOAUSRCAU-LLVKDONJSA-N -1 3 282.271 0.005 20 10 CCCDHM COC(=O)[C@@H]1CC[C@H](C(=O)NCc2c([O-])cccc2F)O1 ZINC000928713072 616354794 /nfs/dbraw/zinc/35/47/94/616354794.db2.gz ZYUWXLWVBUWTIG-NEPJUHHUSA-N -1 3 297.282 0.868 20 10 CCCDHM COC(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126253162 616657023 /nfs/dbraw/zinc/65/70/23/616657023.db2.gz BWFASAFFCGHQPB-SECBINFHSA-N -1 3 265.265 0.875 20 10 CCCDHM COC(=O)N[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928706505 616908493 /nfs/dbraw/zinc/90/84/93/616908493.db2.gz VAFBWPBJZXPXQY-ZETCQYMHSA-N -1 3 270.260 0.892 20 10 CCCDHM O=CN1CCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928705028 632544704 /nfs/dbraw/zinc/54/47/04/632544704.db2.gz CHLXAQVTXLILGF-LLVKDONJSA-N -1 3 266.272 0.768 20 10 CCCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)C(=O)N(C)C ZINC000914169627 637549572 /nfs/dbraw/zinc/54/95/72/637549572.db2.gz XTAACTYZDKPVSP-QMMMGPOBSA-N -1 3 283.303 0.807 20 10 CCCDHM CS(=O)(=O)NC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000862485689 645002889 /nfs/dbraw/zinc/00/28/89/645002889.db2.gz OSKDIBPGYJPKAE-UHFFFAOYSA-N -1 3 290.772 0.779 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCCNC(=O)C1 ZINC000126454741 646786607 /nfs/dbraw/zinc/78/66/07/646786607.db2.gz BSHHHPRPDCSDBG-UHFFFAOYSA-N -1 3 250.254 0.060 20 10 CCCDHM O=C(NCCO[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000885725199 647873212 /nfs/dbraw/zinc/87/32/12/647873212.db2.gz UGFVTIGNQOTBSL-SECBINFHSA-N -1 3 267.281 0.633 20 10 CCCDHM NC(=O)CCCC(=O)NCc1c([O-])cccc1F ZINC000928712357 648657735 /nfs/dbraw/zinc/65/77/35/648657735.db2.gz SCUUUAUITRRYOU-UHFFFAOYSA-N -1 3 254.261 0.803 20 10 CCCDHM NC(=O)[C@@]12C[C@@H]1CCN2Cc1c([O-])cccc1F ZINC001277484147 805723009 /nfs/dbraw/zinc/72/30/09/805723009.db2.gz KPFATRUCTRRLTD-ISVAXAHUSA-N -1 3 250.273 0.981 20 10 CCCDHM O=C(N[C@H]1CCCNC(=O)C1)c1cccc(O)c1[O-] ZINC001148224123 840767193 /nfs/dbraw/zinc/76/71/93/840767193.db2.gz COLAKPHZXJUYSN-QMMMGPOBSA-N -1 3 264.281 0.496 20 10 CCCDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])nn1 ZINC001148219932 840766979 /nfs/dbraw/zinc/76/69/79/840766979.db2.gz GNDARQHQAONFIF-UHFFFAOYSA-N -1 3 275.264 0.826 20 10 CCCDHM O=C(NCCc1nncs1)c1cc(O)c([O-])c(O)c1 ZINC001148590462 840856409 /nfs/dbraw/zinc/85/64/09/840856409.db2.gz KYDNVNBYGKCJAC-UHFFFAOYSA-N -1 3 281.293 0.627 20 10 CCCDHM NC(=O)C12CCC(CC1)N2C(=O)c1cccc(O)c1[O-] ZINC001179565058 843011201 /nfs/dbraw/zinc/01/12/01/843011201.db2.gz WRSZTDSGYZJNEF-UHFFFAOYSA-N -1 3 276.292 0.720 20 10 CCCDHM Cc1n[nH]c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001189870828 845236537 /nfs/dbraw/zinc/23/65/37/845236537.db2.gz NDABUKCEDNFWLD-UHFFFAOYSA-N -1 3 276.252 0.137 20 10 CCCDHM CN(C)C(=O)OCCNC(=O)c1cccc(O)c1[O-] ZINC000688989903 849213109 /nfs/dbraw/zinc/21/31/09/849213109.db2.gz ZCUBQFVMVQUWRC-UHFFFAOYSA-N -1 3 268.269 0.526 20 10 CCCDHM O=C(NCCOCCCO)c1cccc(O)c1[O-] ZINC001322535102 911839434 /nfs/dbraw/zinc/83/94/34/911839434.db2.gz LJHTUTNPFQWOAA-UHFFFAOYSA-N -1 3 255.270 0.227 20 10 CCCDHM O=C(CO[C@H]1CCOC1)NCc1c([O-])cccc1F ZINC001334373835 919532833 /nfs/dbraw/zinc/53/28/33/919532833.db2.gz HRUBFODREDETJF-VIFPVBQESA-N -1 3 269.272 0.953 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001334790047 919765848 /nfs/dbraw/zinc/76/58/48/919765848.db2.gz BERLZAHHIKOILS-DTORHVGOSA-N -1 3 297.332 0.214 20 10 CCCDHM O=C([O-])CN1CCCC[C@@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC001595095939 951813332 /nfs/dbraw/zinc/81/33/32/951813332.db2.gz JUSKSPHTZXHCKC-GFCCVEGCSA-N -1 3 292.335 0.948 20 10 CCCDHM C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)[O-])c1ccccc1[O-] ZINC001594206584 959273713 /nfs/dbraw/zinc/27/37/13/959273713.db2.gz JZPMVLMLCMZHCN-SECBINFHSA-N -1 3 287.337 0.542 20 10 CCCDHM C[C@H]([NH2+][C@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1[O-] ZINC001594240654 959528025 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Cc1ccc(C(=O)NC[C@H](CO)[C@@H]2CCOC2)c([O-])c1O ZINC000281810686 389624830 /nfs/dbraw/zinc/62/48/30/389624830.db2.gz NJKGMHJNURNSQF-GHMZBOCLSA-N -1 3 295.335 0.781 20 10 CCCDHM CCNC(=O)CN(CC)C(=O)c1cccc(O)c1[O-] ZINC000126325942 260349611 /nfs/dbraw/zinc/34/96/11/260349611.db2.gz XUSHJEJYYFIGNX-UHFFFAOYSA-N -1 3 266.297 0.696 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@H]2CO)c1[O-] ZINC000186536238 262097202 /nfs/dbraw/zinc/09/72/02/262097202.db2.gz GIJXVOQOBFUBAT-RYUDHWBXSA-N -1 3 283.299 0.661 20 10 CCCDHM COCCn1cc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000282751116 263078640 /nfs/dbraw/zinc/07/86/40/263078640.db2.gz JTTZQXTZFDJIRG-UHFFFAOYSA-N -1 3 291.307 0.871 20 10 CCCDHM CC1(CNC(=O)c2cccc(O)c2[O-])OCCO1 ZINC000279790992 520730932 /nfs/dbraw/zinc/73/09/32/520730932.db2.gz IRENUNBGDBOMNW-UHFFFAOYSA-N -1 3 253.254 0.591 20 10 CCCDHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])[C@H](C)O ZINC000191014359 523632593 /nfs/dbraw/zinc/63/25/93/523632593.db2.gz AXLOHNFQJXDPOQ-CPCISQLKSA-N -1 3 257.261 0.543 20 10 CCCDHM COC(=O)[C@]1(F)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279271719 524015252 /nfs/dbraw/zinc/01/52/52/524015252.db2.gz KLLBIDCYBDRLQM-ZDUSSCGKSA-N -1 3 283.255 0.825 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[S@](=O)C1 ZINC000277403983 524539278 /nfs/dbraw/zinc/53/92/78/524539278.db2.gz FAXZAKQZNMRUIN-UGZDLDLSSA-N -1 3 283.349 0.938 20 10 CCCDHM Cc1ccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c([O-])c1O ZINC000279496234 526131086 /nfs/dbraw/zinc/13/10/86/526131086.db2.gz JEEZPHUDLFCNRJ-HNNXBMFYSA-N -1 3 290.319 0.758 20 10 CCCDHM O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000280416632 526480192 /nfs/dbraw/zinc/48/01/92/526480192.db2.gz IKGHWATWWINOOS-ZJUUUORDSA-N -1 3 281.308 0.473 20 10 CCCDHM CC(C)COC[C@@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000790841599 581200483 /nfs/dbraw/zinc/20/04/83/581200483.db2.gz VLICVSULILFYRK-JTQLQIEISA-N -1 3 283.324 0.861 20 10 CCCDHM NC(=O)C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790840675 581200577 /nfs/dbraw/zinc/20/05/77/581200577.db2.gz UMTHYLOZTKRGNT-SECBINFHSA-N -1 3 278.308 0.825 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(F)(F)C[C@H]1CO ZINC000781329524 581264830 /nfs/dbraw/zinc/26/48/30/581264830.db2.gz DHBKORPAMQGGBE-ZETCQYMHSA-N -1 3 273.235 0.940 20 10 CCCDHM Cc1cc(Cl)cc(CN2CCN(C(=O)CO)CC2)c1[O-] ZINC000793596045 581303986 /nfs/dbraw/zinc/30/39/86/581303986.db2.gz XLJIIGIEOPUQSW-UHFFFAOYSA-N -1 3 298.770 0.991 20 10 CCCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H](CO)O1 ZINC000788007835 581484818 /nfs/dbraw/zinc/48/48/18/581484818.db2.gz IJPAPGJRSHZQST-CBAPKCEASA-N -1 3 257.311 0.676 20 10 CCCDHM CCOc1ccc(CN2CCO[C@H](C(N)=O)C2)c([O-])c1 ZINC000769217678 581677703 /nfs/dbraw/zinc/67/77/03/581677703.db2.gz JGQZNHFFLOQZMQ-ZDUSSCGKSA-N -1 3 280.324 0.477 20 10 CCCDHM O=C(CNC(=O)c1cc([O-])cs1)NCC(F)(F)F ZINC000731870941 581785577 /nfs/dbraw/zinc/78/55/77/581785577.db2.gz SJPORHQNLOQBDA-UHFFFAOYSA-N -1 3 282.243 0.862 20 10 CCCDHM CCS(=O)(=O)NCCOC(=O)c1cc([O-])cs1 ZINC000732354918 581820974 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O=C(NCc1ccccc1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826443696 609206059 /nfs/dbraw/zinc/20/60/59/609206059.db2.gz ZLWMJGCRQDUNST-UHFFFAOYSA-N -1 3 284.279 0.830 20 10 CCCDHM O=C(NCc1ccccc1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826443696 609206061 /nfs/dbraw/zinc/20/60/61/609206061.db2.gz ZLWMJGCRQDUNST-UHFFFAOYSA-N -1 3 284.279 0.830 20 10 CCCDHM CCCS(=O)(=O)CC(=O)NCc1c([O-])cccc1F ZINC000928711651 614958151 /nfs/dbraw/zinc/95/81/51/614958151.db2.gz KPLWTINNHPPVGS-UHFFFAOYSA-N -1 3 289.328 0.972 20 10 CCCDHM CCOc1ccc(C[NH2+]CC(=O)[N-]OC)c([O-])c1 ZINC000922830863 615510920 /nfs/dbraw/zinc/51/09/20/615510920.db2.gz SVHICQQGZSIEAB-UHFFFAOYSA-N -1 3 254.286 0.558 20 10 CCCDHM C[N@H+](CC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000820569476 616049942 /nfs/dbraw/zinc/04/99/42/616049942.db2.gz RNDRHURANWLPRR-JTQLQIEISA-N -1 3 253.254 0.334 20 10 CCCDHM C[N@@H+](CC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000820569476 616049943 /nfs/dbraw/zinc/04/99/43/616049943.db2.gz RNDRHURANWLPRR-JTQLQIEISA-N -1 3 253.254 0.334 20 10 CCCDHM CN1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1=O ZINC000919751435 616277269 /nfs/dbraw/zinc/27/72/69/616277269.db2.gz DETDOHDWMFUVFY-SNVBAGLBSA-N -1 3 281.287 0.561 20 10 CCCDHM COC1(OC)CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000911027430 616464534 /nfs/dbraw/zinc/46/45/34/616464534.db2.gz ASZCZEDMTFWMHF-UHFFFAOYSA-N -1 3 267.281 0.979 20 10 CCCDHM COc1c([O-])c(CNCC(F)(F)CN)ccc1[N+](=O)[O-] ZINC000841060161 617149358 /nfs/dbraw/zinc/14/93/58/617149358.db2.gz ROPYESFLHKEVNU-UHFFFAOYSA-N -1 3 291.254 0.993 20 10 CCCDHM NC(=O)N1CCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928706226 632547693 /nfs/dbraw/zinc/54/76/93/632547693.db2.gz SYUJQANBNMHHHZ-JTQLQIEISA-N -1 3 281.287 0.691 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](CO)O1 ZINC000229968661 637139122 /nfs/dbraw/zinc/13/91/22/637139122.db2.gz AUSKHRACQRJVFA-DTWKUNHWSA-N -1 3 267.281 0.320 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](C(=O)C2CC2)C1 ZINC000801266302 640640240 /nfs/dbraw/zinc/64/02/40/640640240.db2.gz 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COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccccc1[O-] ZINC000188788580 351628270 /nfs/dbraw/zinc/62/82/70/351628270.db2.gz SCKLWGYCABQREK-CHWSQXEVSA-N -1 3 265.309 0.891 20 10 CCCDHM CNS(=O)(=O)CCNCc1cccc(F)c1[O-] ZINC000221713335 351979765 /nfs/dbraw/zinc/97/97/65/351979765.db2.gz XLQFVBICTWHUDL-UHFFFAOYSA-N -1 3 262.306 0.170 20 10 CCCDHM CSC[C@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000230107168 352103292 /nfs/dbraw/zinc/10/32/92/352103292.db2.gz TUVCLSLNIFWJQG-GFCCVEGCSA-N -1 3 271.338 0.942 20 10 CCCDHM COC[C@](C)(CCO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000273068590 353109766 /nfs/dbraw/zinc/10/97/66/353109766.db2.gz ZOYXUMRKXYCPEH-AWEZNQCLSA-N -1 3 283.324 0.924 20 10 CCCDHM COC[C@H](CCO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272777725 353093564 /nfs/dbraw/zinc/09/35/64/353093564.db2.gz UKPTWPWGDLXOIW-VIFPVBQESA-N -1 3 269.297 0.533 20 10 CCCDHM COC[C@@H](CNC(=O)c1cccc(O)c1[O-])OC ZINC000229417460 389155701 /nfs/dbraw/zinc/15/57/01/389155701.db2.gz CPFKIYFKOSXGFV-MRVPVSSYSA-N -1 3 255.270 0.489 20 10 CCCDHM Cc1ccc(C(=O)N2CC[C@H](NC(N)=O)C2)c([O-])c1O ZINC000273023984 263011061 /nfs/dbraw/zinc/01/10/61/263011061.db2.gz RSUNXIXSUJFCSX-QMMMGPOBSA-N -1 3 279.296 0.289 20 10 CCCDHM CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000194338411 330841526 /nfs/dbraw/zinc/84/15/26/330841526.db2.gz DERCFCSAAYOMJZ-MRVPVSSYSA-N -1 3 266.297 0.552 20 10 CCCDHM Cc1ccc(C(=O)N[C@]2(CCO)CCOC2)c([O-])c1O ZINC000278227304 526216610 /nfs/dbraw/zinc/21/66/10/526216610.db2.gz XYRBLWAYPZAUMC-CQSZACIVSA-N -1 3 281.308 0.678 20 10 CCCDHM O=C(NCCN1CCCOCC1)c1cccc(O)c1[O-] ZINC000275940543 526312161 /nfs/dbraw/zinc/31/21/61/526312161.db2.gz XDXIMRYBCQYBFQ-UHFFFAOYSA-N -1 3 280.324 0.550 20 10 CCCDHM CC(C)N1C[C@H](NC(=O)c2cccc(O)c2[O-])CC1=O ZINC000790626729 581191759 /nfs/dbraw/zinc/19/17/59/581191759.db2.gz ACFCBAJIHOURIK-SECBINFHSA-N -1 3 278.308 0.837 20 10 CCCDHM CC(=O)NC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000790741774 581196781 /nfs/dbraw/zinc/19/67/81/581196781.db2.gz FHOLKPIOAVZAMY-JTQLQIEISA-N -1 3 294.307 0.075 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000790860123 581200977 /nfs/dbraw/zinc/20/09/77/581200977.db2.gz NYASKCNHKZFVHK-BDAKNGLRSA-N -1 3 276.292 0.591 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@]2(CCO)CCOC2)c([O-])c1O ZINC000780983884 581253932 /nfs/dbraw/zinc/25/39/32/581253932.db2.gz NRWJYBTXWBBFFT-OAHLLOKOSA-N -1 3 295.335 0.925 20 10 CCCDHM O=C(CO)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000793596057 581304001 /nfs/dbraw/zinc/30/40/01/581304001.db2.gz XQKZFTVCJIRYQP-UHFFFAOYSA-N -1 3 268.288 0.168 20 10 CCCDHM O=C(CNC(=O)c1cc([O-])cs1)NCC(F)F ZINC000796473800 581441911 /nfs/dbraw/zinc/44/19/11/581441911.db2.gz LUBGOHODZVBEAS-UHFFFAOYSA-N -1 3 264.253 0.565 20 10 CCCDHM O=C(N[C@H]1CCS(=O)(=O)C1)c1cc([O-])cs1 ZINC000731868009 581787212 /nfs/dbraw/zinc/78/72/12/581787212.db2.gz HUENGRNNTCXHFE-LURJTMIESA-N -1 3 261.324 0.371 20 10 CCCDHM CN(CC(=O)N1CCOCC1)C(=O)c1cc([O-])cs1 ZINC000732262275 581811361 /nfs/dbraw/zinc/81/13/61/581811361.db2.gz SDSWQKRCBBGDAG-UHFFFAOYSA-N -1 3 284.337 0.385 20 10 CCCDHM CCn1cnnc1CNC(=O)c1cc([O-])cs1 ZINC000732272081 581812864 /nfs/dbraw/zinc/81/28/64/581812864.db2.gz GMEFRVFFNQDPAZ-UHFFFAOYSA-N -1 3 252.299 0.995 20 10 CCCDHM O=C(NC[C@@]1(CCO)CCOC1)c1cc([O-])cs1 ZINC000762569892 581951628 /nfs/dbraw/zinc/95/16/28/581951628.db2.gz PUKHEOXHBCVFIY-GFCCVEGCSA-N -1 3 271.338 0.973 20 10 CCCDHM CC(C)(C(N)=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000748379107 581973010 /nfs/dbraw/zinc/97/30/10/581973010.db2.gz QEUODWJTWSSTFP-UHFFFAOYSA-N -1 3 297.380 0.475 20 10 CCCDHM CC(=O)C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000808500352 613660598 /nfs/dbraw/zinc/66/05/98/613660598.db2.gz KEKVDWBNPKPOFM-UHFFFAOYSA-N -1 3 262.221 0.985 20 10 CCCDHM CC(=O)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000808500352 613660599 /nfs/dbraw/zinc/66/05/99/613660599.db2.gz KEKVDWBNPKPOFM-UHFFFAOYSA-N -1 3 262.221 0.985 20 10 CCCDHM CCC[C@H](O)[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000839816781 614427107 /nfs/dbraw/zinc/42/71/07/614427107.db2.gz JYQMANUTCPNRFB-ZJUUUORDSA-N 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ZKDMMWDJOGGSJC-QMMMGPOBSA-N -1 3 266.272 0.674 20 10 CCCDHM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000911800073 636392773 /nfs/dbraw/zinc/39/27/73/636392773.db2.gz NCYLHJOWXHCUSI-YIZRAAEISA-N -1 3 278.308 0.835 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1COCO1 ZINC000923837564 638027791 /nfs/dbraw/zinc/02/77/91/638027791.db2.gz NAFMCKFERZUFNA-MRVPVSSYSA-N -1 3 270.260 0.703 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)CN1CCO ZINC000841456073 638851406 /nfs/dbraw/zinc/85/14/06/638851406.db2.gz CSRXYTCHRQHRKS-QWRGUYRKSA-N -1 3 294.351 0.625 20 10 CCCDHM Cn1cc(CNC(=O)NCc2c([O-])cccc2F)nn1 ZINC000921896337 639397696 /nfs/dbraw/zinc/39/76/96/639397696.db2.gz GNKRNWYQWYPAHE-UHFFFAOYSA-N -1 3 279.275 0.659 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799033126 640540753 /nfs/dbraw/zinc/54/07/53/640540753.db2.gz KWGODAHEKHQCMQ-SCZZXKLOSA-N -1 3 292.291 0.668 20 10 CCCDHM O=C(NC[C@H](CO)c1cccnc1)c1cccc(O)c1[O-] ZINC000807850058 640837173 /nfs/dbraw/zinc/83/71/73/640837173.db2.gz FYAWZJMOFNOTKY-LLVKDONJSA-N -1 3 288.303 0.999 20 10 CCCDHM O=C(c1c([O-])c(O)ccc1F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848391197 643631862 /nfs/dbraw/zinc/63/18/62/643631862.db2.gz ZJTZKHPUJQTZNA-DTWKUNHWSA-N -1 3 296.298 0.128 20 10 CCCDHM CS(=O)(=O)CCCC(=O)NCc1c([O-])cccc1F ZINC000928712690 648659666 /nfs/dbraw/zinc/65/96/66/648659666.db2.gz WGRZBFCRQKVEHK-UHFFFAOYSA-N -1 3 289.328 0.972 20 10 CCCDHM CN(C)C1CN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231445948 805802834 /nfs/dbraw/zinc/80/28/34/805802834.db2.gz CYKFMYUQWDZNNV-UHFFFAOYSA-N -1 3 250.298 0.836 20 10 CCCDHM NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449174 805803902 /nfs/dbraw/zinc/80/39/02/805803902.db2.gz WMEKFZZTTQCQRW-LLVKDONJSA-N -1 3 278.308 0.788 20 10 CCCDHM NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449174 805803911 /nfs/dbraw/zinc/80/39/11/805803911.db2.gz WMEKFZZTTQCQRW-LLVKDONJSA-N -1 3 278.308 0.788 20 10 CCCDHM O=C([O-])c1ccc(O)c(CN2CCN(CCCO)CC2)c1 ZINC001231561669 805817092 /nfs/dbraw/zinc/81/70/92/805817092.db2.gz YAFYWMNVJFYYLI-UHFFFAOYSA-N -1 3 294.351 0.590 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1C[C@@H](O)[C@H](CO)C1 ZINC001233332798 806042758 /nfs/dbraw/zinc/04/27/58/806042758.db2.gz XVTYJEGEELROLP-WRWORJQWSA-N -1 3 259.252 0.455 20 10 CCCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(C(N)=O)C1 ZINC001139131487 799783357 /nfs/dbraw/zinc/78/33/57/799783357.db2.gz OMUAWWIWFKXBBN-UHFFFAOYSA-N -1 3 288.303 0.724 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](O)[C@H](CO)C1 ZINC001142508658 800126885 /nfs/dbraw/zinc/12/68/85/800126885.db2.gz GWBGDWAYISNMHB-CABZTGNLSA-N -1 3 273.279 0.846 20 10 CCCDHM O=C(N[C@@H]1Cc2cccnc2NC1=O)c1cccc(O)c1[O-] ZINC001153853620 800677775 /nfs/dbraw/zinc/67/77/75/800677775.db2.gz VJZVDILLIJOXAE-SNVBAGLBSA-N -1 3 299.286 0.786 20 10 CCCDHM C[C@H](O)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC001161587439 802185420 /nfs/dbraw/zinc/18/54/20/802185420.db2.gz PQWHMBGXGJAKTI-GZMMTYOYSA-N -1 3 267.281 0.320 20 10 CCCDHM CO[C@@]1(CO)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000401745819 803800093 /nfs/dbraw/zinc/80/00/93/803800093.db2.gz UYGOSVKSNDPNCW-AWEZNQCLSA-N -1 3 281.308 0.711 20 10 CCCDHM O=C(NCCN1CCCC1=O)c1cccc(O)c1[O-] ZINC000405879074 803896745 /nfs/dbraw/zinc/89/67/45/803896745.db2.gz WUBDNBNJPADIKO-UHFFFAOYSA-N -1 3 264.281 0.450 20 10 CCCDHM Nc1nc(=O)[nH]cc1NC(=O)c1cccc(O)c1[O-] ZINC001148220071 840767029 /nfs/dbraw/zinc/76/70/29/840767029.db2.gz OFYICSYVMDCNKU-UHFFFAOYSA-N -1 3 262.225 0.428 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC2(C1)CCCO2 ZINC001148582498 840848764 /nfs/dbraw/zinc/84/87/64/840848764.db2.gz ISNOKPYNRHHZEJ-UHFFFAOYSA-N -1 3 265.265 0.808 20 10 CCCDHM Cc1nonc1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590063 840857215 /nfs/dbraw/zinc/85/72/15/840857215.db2.gz WUQIXRXCVYBYHI-UHFFFAOYSA-N -1 3 265.225 0.425 20 10 CCCDHM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148591234 840857405 /nfs/dbraw/zinc/85/74/05/840857405.db2.gz VPGHLBGNUVUYQI-VHSXEESVSA-N -1 3 267.281 0.693 20 10 CCCDHM O=C(NCCc1ccc(O)c(O)c1)c1cnncc1[O-] ZINC001150487215 842233670 /nfs/dbraw/zinc/23/36/70/842233670.db2.gz ALVFJAXEZNAGLK-UHFFFAOYSA-N -1 3 275.264 0.566 20 10 CCCDHM C[C@H]([NH2+]CC(=O)NCC(=O)[O-])c1ccccc1[O-] ZINC001594240767 959529436 /nfs/dbraw/zinc/52/94/36/959529436.db2.gz XJEIVYMTIIWXFX-QMMMGPOBSA-N -1 3 252.270 0.244 20 10 CCCDHM CC(=O)c1cc(F)cc(CN(CCO)CCCO)c1[O-] ZINC000079433606 349175984 /nfs/dbraw/zinc/17/59/84/349175984.db2.gz WSGWHVSJWDKJTM-UHFFFAOYSA-N -1 3 285.315 0.911 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)c([O-])c1O ZINC000271230525 353032491 /nfs/dbraw/zinc/03/24/91/353032491.db2.gz BADIZQRMCJVVLK-LLVKDONJSA-N -1 3 293.367 0.382 20 10 CCCDHM NC(=O)N[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000272506141 353069769 /nfs/dbraw/zinc/06/97/69/353069769.db2.gz WJLUZIZWCTVYBW-SECBINFHSA-N -1 3 253.277 0.774 20 10 CCCDHM COC(=O)[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000272227613 353045173 /nfs/dbraw/zinc/04/51/73/353045173.db2.gz DCNFYABUGJCTBM-NSHDSACASA-N -1 3 269.272 0.905 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c([O-])c1O ZINC000272801574 353095880 /nfs/dbraw/zinc/09/58/80/353095880.db2.gz YQKLDFTYGRMMHU-SCZZXKLOSA-N -1 3 294.307 0.169 20 10 CCCDHM CCC[C@H](NC(=O)c1cccc(O)c1[O-])C(N)=O ZINC000286382056 353582588 /nfs/dbraw/zinc/58/25/88/353582588.db2.gz OLMMMCSNMXQJOP-QMMMGPOBSA-N -1 3 252.270 0.482 20 10 CCCDHM COCC[C@H](CO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000281198206 389609812 /nfs/dbraw/zinc/60/98/12/389609812.db2.gz DDWHIZLTQNHXQM-SECBINFHSA-N -1 3 269.297 0.533 20 10 CCCDHM COC(=O)[C@@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000281909283 389633665 /nfs/dbraw/zinc/63/36/65/389633665.db2.gz URHPDAHJNIFBBS-SSDOTTSWSA-N -1 3 253.254 0.731 20 10 CCCDHM CNC(=O)NC[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000529643567 390849005 /nfs/dbraw/zinc/84/90/05/390849005.db2.gz QNHNTAVWQPTWPM-LBPRGKRZSA-N -1 3 279.340 0.522 20 10 CCCDHM CC(=O)NCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000179415363 261784729 /nfs/dbraw/zinc/78/47/29/261784729.db2.gz VHFBKPJLUJOMPC-UHFFFAOYSA-N -1 3 266.297 0.662 20 10 CCCDHM COc1c([O-])c(CN[C@H]2CC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000278566710 263049244 /nfs/dbraw/zinc/04/92/44/263049244.db2.gz BYYSMAWBBBTFAF-VIFPVBQESA-N -1 3 295.295 0.629 20 10 CCCDHM COC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000279916078 522302218 /nfs/dbraw/zinc/30/22/18/522302218.db2.gz XBNXAENRGXHKMA-SECBINFHSA-N -1 3 256.258 0.397 20 10 CCCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])OCCO ZINC000292061005 519262911 /nfs/dbraw/zinc/26/29/11/519262911.db2.gz KCKCTVGDABXQAA-UHFFFAOYSA-N -1 3 269.297 0.615 20 10 CCCDHM CCNC(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126305162 521745508 /nfs/dbraw/zinc/74/55/08/521745508.db2.gz DUYZJFVKEHZKPB-ZETCQYMHSA-N -1 3 252.270 0.352 20 10 CCCDHM COC(CN(CCCO)C(=O)c1cccc(O)c1[O-])OC ZINC000276320194 522531101 /nfs/dbraw/zinc/53/11/01/522531101.db2.gz ZYSQCMKDRLFZIT-UHFFFAOYSA-N -1 3 299.323 0.541 20 10 CCCDHM O=C(CNC(=O)c1cccc(O)c1[O-])NCC(F)F ZINC000280285836 526862607 /nfs/dbraw/zinc/86/26/07/526862607.db2.gz TVPBVIGYRULGOC-UHFFFAOYSA-N -1 3 274.223 0.209 20 10 CCCDHM Cc1ccc(C(=O)N2C[C@@H](CO)OC[C@H]2C)c([O-])c1O ZINC000780984794 581130539 /nfs/dbraw/zinc/13/05/39/581130539.db2.gz YKNNWVVQQMRPCR-ZJUUUORDSA-N -1 3 281.308 0.628 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@]2(CNC(=O)C2)C1 ZINC000790165348 581178945 /nfs/dbraw/zinc/17/89/45/581178945.db2.gz WYOONKYHMCCXMF-AWEZNQCLSA-N -1 3 276.292 0.450 20 10 CCCDHM C[C@@H]1C(=O)N(C)CCN1C(=O)c1cc([O-])cs1 ZINC000779466407 581186889 /nfs/dbraw/zinc/18/68/89/581186889.db2.gz QUQOLNRUAIGFOU-SSDOTTSWSA-N -1 3 254.311 0.756 20 10 CCCDHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790911830 581202211 /nfs/dbraw/zinc/20/22/11/581202211.db2.gz NRRYTGHWSXJIDI-WCBMZHEXSA-N -1 3 278.308 0.742 20 10 CCCDHM O=C(NCCNC(=O)c1cc([O-])cs1)c1ccn[nH]1 ZINC000780801734 581245241 /nfs/dbraw/zinc/24/52/41/581245241.db2.gz WLEQIJOWIUIROE-UHFFFAOYSA-N -1 3 280.309 0.337 20 10 CCCDHM CCNC(=O)CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000780903579 581249057 /nfs/dbraw/zinc/24/90/57/581249057.db2.gz UMZRGFCEOAYRBZ-UHFFFAOYSA-N -1 3 266.297 0.614 20 10 CCCDHM O=C(CO)N1CCN(Cc2ccccc2[O-])CC1 ZINC000793593445 581303959 /nfs/dbraw/zinc/30/39/59/581303959.db2.gz MWWPJLCGTJZRFV-UHFFFAOYSA-N -1 3 250.298 0.029 20 10 CCCDHM COC(=O)[C@@H]1CN(Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000728565292 581364708 /nfs/dbraw/zinc/36/47/08/581364708.db2.gz SGUXJLOFWUQEHR-ZDUSSCGKSA-N -1 3 295.291 0.495 20 10 CCCDHM CN1CN(Cc2cc3c(cc2[O-])OCO3)CC1=O ZINC000765636785 581530502 /nfs/dbraw/zinc/53/05/02/581530502.db2.gz SPTVOVAHASVEBW-UHFFFAOYSA-N -1 3 250.254 0.352 20 10 CCCDHM COc1cccc([O-])c1CN1CCN(C(=O)[C@@H](C)O)CC1 ZINC000769501646 581693228 /nfs/dbraw/zinc/69/32/28/581693228.db2.gz KVWLJTJJLFQFBW-LLVKDONJSA-N -1 3 294.351 0.426 20 10 CCCDHM CNC(=O)CN1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732271663 581812648 /nfs/dbraw/zinc/81/26/48/581812648.db2.gz NMVXNUSJJQEDCC-UHFFFAOYSA-N -1 3 297.380 0.394 20 10 CCCDHM O=C(COC(=O)c1cc([O-])cs1)NC1CCOCC1 ZINC000732355450 581821027 /nfs/dbraw/zinc/82/10/27/581821027.db2.gz NFDAOKPKHCXTSI-UHFFFAOYSA-N -1 3 285.321 0.906 20 10 CCCDHM CCNC(=O)CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775050466 582010186 /nfs/dbraw/zinc/01/01/86/582010186.db2.gz IRMHRLRCRCCFEG-UHFFFAOYSA-N -1 3 283.284 0.535 20 10 CCCDHM CCN(CC(=O)OC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768451324 582106794 /nfs/dbraw/zinc/10/67/94/582106794.db2.gz MRKJLFKGNYDHIW-LBPRGKRZSA-N -1 3 281.308 0.813 20 10 CCCDHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000803567613 614039853 /nfs/dbraw/zinc/03/98/53/614039853.db2.gz RZNXOBYJQBMKLE-JOYOIKCWSA-N -1 3 297.351 0.986 20 10 CCCDHM CCN(C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452405 614885557 /nfs/dbraw/zinc/88/55/57/614885557.db2.gz OCWBYEIWVVSMLR-UHFFFAOYSA-N -1 3 262.306 0.817 20 10 CCCDHM CCCNS(=O)(=O)NCc1c([O-])cccc1F ZINC000921451735 614885743 /nfs/dbraw/zinc/88/57/43/614885743.db2.gz VEWDWMUTXAEFEA-UHFFFAOYSA-N -1 3 262.306 0.865 20 10 CCCDHM CN(C)C(=O)CNC(=S)NCc1c([O-])cccc1F ZINC000905662703 615970336 /nfs/dbraw/zinc/97/03/36/615970336.db2.gz YFWIDMRPUPNVCM-UHFFFAOYSA-N -1 3 285.344 0.584 20 10 CCCDHM COC[C@@](C)(O)C(=O)NCc1c([O-])cccc1F ZINC000928704565 617026500 /nfs/dbraw/zinc/02/65/00/617026500.db2.gz CCWLUSXCJYXSLX-GFCCVEGCSA-N -1 3 257.261 0.545 20 10 CCCDHM CON(C)C(=O)[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000923470806 617062492 /nfs/dbraw/zinc/06/24/92/617062492.db2.gz AWKYEDLGLNWAON-QMMMGPOBSA-N -1 3 299.302 0.739 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](O)[C@H](F)C1 ZINC000890692094 624563523 /nfs/dbraw/zinc/56/35/23/624563523.db2.gz SQOKUMOYQGMTHP-BDAKNGLRSA-N -1 3 255.245 0.643 20 10 CCCDHM [O-]c1c(F)cc(F)cc1CN1CCC(O)(CO)CC1 ZINC000895261957 632041591 /nfs/dbraw/zinc/04/15/91/632041591.db2.gz WWDRXTXZERFQTA-UHFFFAOYSA-N -1 3 273.279 0.990 20 10 CCCDHM CNC(=O)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000323051581 633377422 /nfs/dbraw/zinc/37/74/22/633377422.db2.gz GPGQRVPZTMCEPV-SSDOTTSWSA-N -1 3 252.270 0.352 20 10 CCCDHM O=C(NCCN1CCCC1=O)NCc1c([O-])cccc1F ZINC000923074259 640015263 /nfs/dbraw/zinc/01/52/63/640015263.db2.gz XLRJGUDLVLNEAA-UHFFFAOYSA-N -1 3 295.314 0.953 20 10 CCCDHM Cc1cc([O-])c(CN2CCN(C(=O)CO)CC2)cc1Cl ZINC000825812457 641909265 /nfs/dbraw/zinc/90/92/65/641909265.db2.gz ZOUHCBBQJATRHQ-UHFFFAOYSA-N -1 3 298.770 0.991 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001231449655 805802801 /nfs/dbraw/zinc/80/28/01/805802801.db2.gz KOQLSWSAROSIDD-HNNXBMFYSA-N -1 3 290.319 0.802 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001231449655 805802804 /nfs/dbraw/zinc/80/28/04/805802804.db2.gz KOQLSWSAROSIDD-HNNXBMFYSA-N -1 3 290.319 0.802 20 10 CCCDHM NC(=O)C1CN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231456004 805807720 /nfs/dbraw/zinc/80/77/20/805807720.db2.gz ZKUFUKRRLIDWPT-UHFFFAOYSA-N -1 3 250.254 0.008 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](CO)[C@@H](O)C1 ZINC001233332564 806043043 /nfs/dbraw/zinc/04/30/43/806043043.db2.gz PEXDNZZGONAWQJ-UFBFGSQYSA-N -1 3 273.279 0.846 20 10 CCCDHM NC(=O)[C@H]1CCC2(CN(Cc3cc(F)ccc3[O-])C2)O1 ZINC001278255231 806792618 /nfs/dbraw/zinc/79/26/18/806792618.db2.gz PNNYPBRGRWIANB-GFCCVEGCSA-N -1 3 280.299 0.750 20 10 CCCDHM Cc1nnc(CNC(=O)NCc2c([O-])cccc2F)n1C ZINC001262190883 809233284 /nfs/dbraw/zinc/23/32/84/809233284.db2.gz CRBZTLFMDYBSFA-UHFFFAOYSA-N -1 3 293.302 0.968 20 10 CCCDHM COC[C@@H](CCNC(=O)c1cccc(O)c1[O-])OC ZINC000694455876 811461715 /nfs/dbraw/zinc/46/17/15/811461715.db2.gz ORMARIYWKARSRU-SECBINFHSA-N -1 3 269.297 0.879 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(n2cncn2)C1 ZINC000707357830 819735362 /nfs/dbraw/zinc/73/53/62/819735362.db2.gz AWGIDVCFXZOONZ-UHFFFAOYSA-N -1 3 260.253 0.386 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCN(C)[C@@H](CO)C2)c1[O-] ZINC000828724058 821821224 /nfs/dbraw/zinc/82/12/24/821821224.db2.gz CXOXIZKNQQPVIM-CYBMUJFWSA-N -1 3 296.342 0.842 20 10 CCCDHM COC(=O)[C@H](C)N(C)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584115 840854565 /nfs/dbraw/zinc/85/45/65/840854565.db2.gz ONRVKXGSQDGTTE-LURJTMIESA-N -1 3 269.253 0.437 20 10 CCCDHM COc1ccc(CNC(=O)c2cc(O)c([O-])c(O)c2)nn1 ZINC001148590027 840857008 /nfs/dbraw/zinc/85/70/08/840857008.db2.gz VWIKTTOQGIRUHH-UHFFFAOYSA-N -1 3 291.263 0.532 20 10 CCCDHM Nc1c(=O)c(=O)c1NC(=O)c1ccc([O-])c(O)c1Cl ZINC001193209319 846021357 /nfs/dbraw/zinc/02/13/57/846021357.db2.gz IMIUBZCTIOFAQC-UHFFFAOYSA-N -1 3 282.639 0.182 20 10 CCCDHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cccc(O)c1[O-] ZINC000688601580 849184602 /nfs/dbraw/zinc/18/46/02/849184602.db2.gz YZAQFZGWDQEYCB-QMMMGPOBSA-N -1 3 287.337 0.603 20 10 CCCDHM O=C([O-])COCCOCC[NH2+]Cc1ccccc1[O-] ZINC001337834736 921297241 /nfs/dbraw/zinc/29/72/41/921297241.db2.gz WDSGOZWALUZIOQ-UHFFFAOYSA-N -1 3 269.297 0.600 20 10 CCCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1nnnn1C ZINC001313378262 908661996 /nfs/dbraw/zinc/66/19/96/908661996.db2.gz VMZPTIRDPCXRBG-ZETCQYMHSA-N -1 3 294.290 0.615 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@]2(CCOC2=O)C1 ZINC001347723716 924519592 /nfs/dbraw/zinc/51/95/92/924519592.db2.gz HMQNMZIGHGMVNN-AWEZNQCLSA-N -1 3 277.276 0.877 20 10 CCCDHM CCOc1ccc(C[NH2+][C@@H](COC)C(=O)[O-])c([O-])c1 ZINC001597101498 986718306 /nfs/dbraw/zinc/71/83/06/986718306.db2.gz WDMNZELHYMGDJY-NSHDSACASA-N -1 3 269.297 0.980 20 10 CCCDHM CC1(C)CN(CCNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000192999927 351807513 /nfs/dbraw/zinc/80/75/13/351807513.db2.gz LQNOYPVYJLWZDK-UHFFFAOYSA-N -1 3 294.351 0.938 20 10 CCCDHM C[C@H]1c2nncn2CCN1C(=O)c1cccc(O)c1[O-] ZINC000276770099 291329766 /nfs/dbraw/zinc/32/97/66/291329766.db2.gz HIXGCOCGJIMQIM-QMMMGPOBSA-N -1 3 274.280 0.906 20 10 CCCDHM C[C@@H](NCCS(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595947 296126572 /nfs/dbraw/zinc/12/65/72/296126572.db2.gz QPRPBNGRJVIQDH-MRVPVSSYSA-N -1 3 288.325 0.996 20 10 CCCDHM Cc1ccc(C(=O)NCc2nncn2C)c([O-])c1O ZINC000267609559 389372793 /nfs/dbraw/zinc/37/27/93/389372793.db2.gz REBCPIXUSJELMN-UHFFFAOYSA-N -1 3 262.269 0.465 20 10 CCCDHM COC(=O)[C@@H]1COCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272791788 389469830 /nfs/dbraw/zinc/46/98/30/389469830.db2.gz XAUBDPRSZKGSSP-JTQLQIEISA-N -1 3 295.291 0.420 20 10 CCCDHM Cc1ccc(C(=O)N2CCN(C)C(=O)C2)c([O-])c1O ZINC000182490825 389709662 /nfs/dbraw/zinc/70/96/62/389709662.db2.gz RYEILOWFJNLHLG-UHFFFAOYSA-N -1 3 264.281 0.320 20 10 CCCDHM CCn1nncc1CNC(=O)c1cccc(O)c1[O-] ZINC000529560495 390842512 /nfs/dbraw/zinc/84/25/12/390842512.db2.gz ACKKZRYJDDNOLS-UHFFFAOYSA-N -1 3 262.269 0.639 20 10 CCCDHM CC1(C)C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000126411600 260351287 /nfs/dbraw/zinc/35/12/87/260351287.db2.gz HLWMILGIVCXSEW-UHFFFAOYSA-N -1 3 264.281 0.448 20 10 CCCDHM [O-]c1ccc(Cl)cc1CN1C[C@@H](O)C[C@H]1CO ZINC000187665075 329360264 /nfs/dbraw/zinc/36/02/64/329360264.db2.gz SMYUTTJSLGBGPX-QWRGUYRKSA-N -1 3 257.717 0.973 20 10 CCCDHM CCNC(=O)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126304928 521743583 /nfs/dbraw/zinc/74/35/83/521743583.db2.gz DUYZJFVKEHZKPB-SSDOTTSWSA-N -1 3 252.270 0.352 20 10 CCCDHM CCNC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000294218046 521744099 /nfs/dbraw/zinc/74/40/99/521744099.db2.gz DXESAPRWRXTSRQ-NSHDSACASA-N -1 3 280.324 0.988 20 10 CCCDHM COC(=O)[C@@]1(F)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279271718 523838567 /nfs/dbraw/zinc/83/85/67/523838567.db2.gz KLLBIDCYBDRLQM-CYBMUJFWSA-N -1 3 283.255 0.825 20 10 CCCDHM Cc1ccc(C(=O)NCCCN2CCOC2=O)c([O-])c1O ZINC000272768315 526162703 /nfs/dbraw/zinc/16/27/03/526162703.db2.gz MJHPLHKNWKTARB-UHFFFAOYSA-N -1 3 294.307 0.978 20 10 CCCDHM Cc1ccc(C(=O)NC[C@]2(O)CCO[C@H]2C)c([O-])c1O ZINC000279642710 526182693 /nfs/dbraw/zinc/18/26/93/526182693.db2.gz ZFLQILIBHSILOW-LKFCYVNXSA-N -1 3 281.308 0.676 20 10 CCCDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000790923652 581202345 /nfs/dbraw/zinc/20/23/45/581202345.db2.gz WLSRSUKFINKRON-QMMMGPOBSA-N -1 3 269.253 0.016 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c([O-])c1O ZINC000780942074 581250776 /nfs/dbraw/zinc/25/07/76/581250776.db2.gz YXQKLALYYMTIFA-SECBINFHSA-N -1 3 299.348 0.713 20 10 CCCDHM Cc1ccc(C(=O)NCc2cncnc2N)c([O-])c1O ZINC000780983604 581254168 /nfs/dbraw/zinc/25/41/68/581254168.db2.gz IGHOENGRUYKVFG-UHFFFAOYSA-N -1 3 274.280 0.708 20 10 CCCDHM O=C(N[C@@H](CO)C1CCOCC1)c1cc([O-])cs1 ZINC000782880980 581325460 /nfs/dbraw/zinc/32/54/60/581325460.db2.gz WKWXAZAYSUQKNW-JTQLQIEISA-N -1 3 271.338 0.971 20 10 CCCDHM Cc1ccc(C(=O)N2CCN3C(=O)N=NC3C2)c([O-])c1O ZINC000783710050 581357204 /nfs/dbraw/zinc/35/72/04/581357204.db2.gz GVQUSFOFHFOPAE-UHFFFAOYSA-N -1 3 290.279 0.359 20 10 CCCDHM CCOC(=O)[C@@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000768724507 581653362 /nfs/dbraw/zinc/65/33/62/581653362.db2.gz AOWTYSPYVVKZBJ-NSHDSACASA-N -1 3 273.310 0.498 20 10 CCCDHM COc1cccc([O-])c1CN1CCO[C@@H](C(N)=O)C1 ZINC000769218906 581677565 /nfs/dbraw/zinc/67/75/65/581677565.db2.gz WJXCCOREFWGDKZ-GFCCVEGCSA-N -1 3 266.297 0.087 20 10 CCCDHM CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000731910167 581789588 /nfs/dbraw/zinc/78/95/88/581789588.db2.gz MUSFQINRCNCBJM-RXMQYKEDSA-N -1 3 272.282 0.455 20 10 CCCDHM C[C@H](NC(=O)c1cc([O-])cs1)[C@H]1CN(C)CCO1 ZINC000771093944 581792157 /nfs/dbraw/zinc/79/21/57/581792157.db2.gz SIDBBUZGBWREBT-WCBMZHEXSA-N -1 3 270.354 0.903 20 10 CCCDHM CC(=O)N1CCN(CCNC(=O)c2cc([O-])cs2)CC1 ZINC000732270127 581812683 /nfs/dbraw/zinc/81/26/83/581812683.db2.gz JXYMQDZTLASEML-UHFFFAOYSA-N -1 3 297.380 0.348 20 10 CCCDHM C[C@@H](Cn1cncn1)NC(=O)c1cc([O-])cs1 ZINC000732273083 581813626 /nfs/dbraw/zinc/81/36/26/581813626.db2.gz VRZKHOQLKMJIEV-ZETCQYMHSA-N -1 3 252.299 0.864 20 10 CCCDHM COC(=O)[C@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000732286734 581816967 /nfs/dbraw/zinc/81/69/67/581816967.db2.gz WFJFYWLNVBUFKD-MRVPVSSYSA-N -1 3 271.294 0.468 20 10 CCCDHM O=C(NCc1nnnn1CC1CC1)c1cc([O-])cs1 ZINC000771746497 581819079 /nfs/dbraw/zinc/81/90/79/581819079.db2.gz SUIWMINSDMJOQB-UHFFFAOYSA-N -1 3 279.325 0.780 20 10 CCCDHM O=C(NC[C@H](O)COCC1CC1)c1cc([O-])cs1 ZINC000748407520 581974173 /nfs/dbraw/zinc/97/41/73/581974173.db2.gz RVAKOYWNLBVEEL-JTQLQIEISA-N -1 3 271.338 0.971 20 10 CCCDHM COc1cccc([O-])c1CN(C)CCS(C)(=O)=O ZINC000768366798 582105838 /nfs/dbraw/zinc/10/58/38/582105838.db2.gz IVRBIFIPAGJIOC-UHFFFAOYSA-N -1 3 273.354 0.877 20 10 CCCDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1ccccc1O ZINC000822641315 606291032 /nfs/dbraw/zinc/29/10/32/606291032.db2.gz JDWCWHGTMIUHJM-UHFFFAOYSA-N -1 3 298.306 0.841 20 10 CCCDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccccc1O ZINC000822641315 606291034 /nfs/dbraw/zinc/29/10/34/606291034.db2.gz JDWCWHGTMIUHJM-UHFFFAOYSA-N -1 3 298.306 0.841 20 10 CCCDHM CC(=O)N1CCO[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000830180264 613444686 /nfs/dbraw/zinc/44/46/86/613444686.db2.gz KAJAPXVLHCULPS-ZDUSSCGKSA-N -1 3 296.298 0.395 20 10 CCCDHM CCON(C)C(=O)CNC(=O)NCc1c([O-])cccc1F ZINC000923083436 615331252 /nfs/dbraw/zinc/33/12/52/615331252.db2.gz YLALCESIFBTYLF-UHFFFAOYSA-N -1 3 299.302 0.740 20 10 CCCDHM CCON(CC)C(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000862621108 615348366 /nfs/dbraw/zinc/34/83/66/615348366.db2.gz BHWNDQRPPXUPGJ-UHFFFAOYSA-N -1 3 282.296 0.628 20 10 CCCDHM C[N@H+](CC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000820569477 616049891 /nfs/dbraw/zinc/04/98/91/616049891.db2.gz RNDRHURANWLPRR-SNVBAGLBSA-N -1 3 253.254 0.334 20 10 CCCDHM C[N@@H+](CC(=O)[O-])Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000820569477 616049892 /nfs/dbraw/zinc/04/98/92/616049892.db2.gz RNDRHURANWLPRR-SNVBAGLBSA-N -1 3 253.254 0.334 20 10 CCCDHM CN1CC(=O)N(CC(=O)NCc2c([O-])cccc2F)C1=O ZINC000928710544 616160289 /nfs/dbraw/zinc/16/02/89/616160289.db2.gz UPLRSWFAERADMS-UHFFFAOYSA-N -1 3 295.270 0.042 20 10 CCCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCNC1=O ZINC000894094712 616165146 /nfs/dbraw/zinc/16/51/46/616165146.db2.gz LWTXZBYLCYSMHX-JTQLQIEISA-N -1 3 256.252 0.991 20 10 CCCDHM COC[C@@H](C(N)=O)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000815135956 616779122 /nfs/dbraw/zinc/77/91/22/616779122.db2.gz LFBQWVOWCHMXMQ-LBPRGKRZSA-N -1 3 298.314 0.666 20 10 CCCDHM COC[C@]1(C)CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000863831451 616869860 /nfs/dbraw/zinc/86/98/60/616869860.db2.gz GRBOHJMDKIKLRC-AWEZNQCLSA-N -1 3 281.308 0.975 20 10 CCCDHM COC(=O)[C@@H](CCF)NC(=O)c1cccc(O)c1[O-] ZINC000846425779 616960670 /nfs/dbraw/zinc/96/06/70/616960670.db2.gz LXMGSYZPVJDBBS-MRVPVSSYSA-N -1 3 271.244 0.729 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)C(=O)NC1CC1 ZINC000902945686 634496663 /nfs/dbraw/zinc/49/66/63/634496663.db2.gz VNBYBWBGLRWPEU-UHFFFAOYSA-N -1 3 252.245 0.426 20 10 CCCDHM NC(=O)[C@@H]1C[C@@H](O)CN1Cc1c([O-])cccc1Cl ZINC000895945797 632181370 /nfs/dbraw/zinc/18/13/70/632181370.db2.gz LEFOQHOPBYWOFO-XCBNKYQSSA-N -1 3 270.716 0.466 20 10 CCCDHM O=C(N[C@H](CO)C[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000899286567 633791313 /nfs/dbraw/zinc/79/13/13/633791313.db2.gz CYTIOCSOVLLALW-VHSXEESVSA-N -1 3 281.308 0.758 20 10 CCCDHM Cn1cnc(CNC(=O)NCc2c([O-])cccc2F)n1 ZINC000921747443 639064536 /nfs/dbraw/zinc/06/45/36/639064536.db2.gz OVBHKXOSVBBRSS-UHFFFAOYSA-N -1 3 279.275 0.659 20 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295.358 0.783 20 10 CCCDHM O=C(CN1CCCNC1=O)NCc1c([O-])cccc1F ZINC000928712647 648659090 /nfs/dbraw/zinc/65/90/90/648659090.db2.gz VHIYTZWHGKTODA-UHFFFAOYSA-N -1 3 281.287 0.563 20 10 CCCDHM Cn1nccc1CCNC(=O)c1cccc(O)c1[O-] ZINC000190592491 649454201 /nfs/dbraw/zinc/45/42/01/649454201.db2.gz VANMHLNHBAQOEY-UHFFFAOYSA-N -1 3 261.281 0.804 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c([O-])c1 ZINC001231446310 805804629 /nfs/dbraw/zinc/80/46/29/805804629.db2.gz GPAZKDWEUNLWGE-ZYHUDNBSSA-N -1 3 269.272 0.995 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c([O-])c1 ZINC001231446310 805804637 /nfs/dbraw/zinc/80/46/37/805804637.db2.gz GPAZKDWEUNLWGE-ZYHUDNBSSA-N -1 3 269.272 0.995 20 10 CCCDHM COc1cc([O-])c(CN2CC(C(N)=O)C2)c(Cl)c1 ZINC001236803405 806610827 /nfs/dbraw/zinc/61/08/27/806610827.db2.gz NSLUHBPKHNPCDT-UHFFFAOYSA-N -1 3 270.716 0.971 20 10 CCCDHM COC(=O)[C@@H]1CN(C)CCN1Cc1cc(F)ccc1[O-] ZINC001140060057 799877194 /nfs/dbraw/zinc/87/71/94/799877194.db2.gz IXROOFJXRLAOFD-LBPRGKRZSA-N -1 3 282.315 0.820 20 10 CCCDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc(N)cc1 ZINC001220491835 804615810 /nfs/dbraw/zinc/61/58/10/804615810.db2.gz DRRAISXEEKSECL-UHFFFAOYSA-N -1 3 274.324 0.907 20 10 CCCDHM NC(=O)[C@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269560679 813422289 /nfs/dbraw/zinc/42/22/89/813422289.db2.gz ZKQUMHHCTSQZBC-SNVBAGLBSA-N -1 3 290.319 0.825 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](CO)C[C@H](F)C1 ZINC001148212466 840761991 /nfs/dbraw/zinc/76/19/91/840761991.db2.gz YZHNJPWNSROWFQ-BDAKNGLRSA-N -1 3 269.272 0.890 20 10 CCCDHM O=C(Nc1ncnc2n[nH]nc21)c1cccc(O)c1[O-] ZINC001148212775 840762697 /nfs/dbraw/zinc/76/26/97/840762697.db2.gz LVIFHJNLAJDRIE-UHFFFAOYSA-N -1 3 272.224 0.411 20 10 CCCDHM COc1ncc(NC(=O)c2cc(O)c([O-])c(O)c2)cn1 ZINC001148579840 840851362 /nfs/dbraw/zinc/85/13/62/840851362.db2.gz BQPMCEKOEQEOGM-UHFFFAOYSA-N -1 3 277.236 0.854 20 10 CCCDHM CCN(C(=O)c1cc(O)c([O-])c(O)c1)C1CN(C)C1 ZINC001148588329 840851920 /nfs/dbraw/zinc/85/19/20/840851920.db2.gz SNYWDINUSHQCIW-UHFFFAOYSA-N -1 3 266.297 0.580 20 10 CCCDHM O=C(NCCC1COC1)c1cc(O)c([O-])c(O)c1 ZINC001148589519 840853169 /nfs/dbraw/zinc/85/31/69/840853169.db2.gz ADRWFGDMCTZUFS-UHFFFAOYSA-N -1 3 253.254 0.570 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCCC(=O)CC1 ZINC001148583325 840854408 /nfs/dbraw/zinc/85/44/08/840854408.db2.gz YPPLBTUCQHVEEB-UHFFFAOYSA-N -1 3 265.265 0.999 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1CCC(O)(CO)CC1 ZINC001182795837 843916035 /nfs/dbraw/zinc/91/60/35/843916035.db2.gz LSKHKNHWDYDOOE-UHFFFAOYSA-N -1 3 273.279 0.990 20 10 CCCDHM CC(C)[C@@](C)(NC(=O)c1cccc(O)c1[O-])C(N)=O ZINC000388107884 853970624 /nfs/dbraw/zinc/97/06/24/853970624.db2.gz GRGQDQZGMHYRMC-CYBMUJFWSA-N -1 3 266.297 0.728 20 10 CCCDHM COC[C@@](C)(NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC001446052220 930320387 /nfs/dbraw/zinc/32/03/87/930320387.db2.gz SCVVDQNNHNYHHG-CYBMUJFWSA-N -1 3 283.280 0.406 20 10 CCCDHM COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)ccc1[O-] ZINC000187570022 351547421 /nfs/dbraw/zinc/54/74/21/351547421.db2.gz HZWJSEMRARRVPL-MNOVXSKESA-N -1 3 269.272 0.640 20 10 CCCDHM Cc1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)c([O-])c1O ZINC000188092675 351572918 /nfs/dbraw/zinc/57/29/18/351572918.db2.gz OPGGVZOACGWVEU-VIFPVBQESA-N -1 3 278.308 0.757 20 10 CCCDHM COC(=O)[C@H]1C[C@H](O)CN1Cc1cc2c(cc1[O-])OCO2 ZINC000211921494 351930021 /nfs/dbraw/zinc/93/00/21/351930021.db2.gz YBZXFNBQGQHGQD-VHSXEESVSA-N -1 3 295.291 0.229 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H]2CCN(C(N)=O)C2)c([O-])c1O ZINC000271304187 353033613 /nfs/dbraw/zinc/03/36/13/353033613.db2.gz TXAWWIFTOMFQGX-MRVPVSSYSA-N -1 3 279.296 0.289 20 10 CCCDHM Cc1ccc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c([O-])c1O ZINC000272780422 353093816 /nfs/dbraw/zinc/09/38/16/353093816.db2.gz UYMAZDBAGGGHBE-SECBINFHSA-N -1 3 291.307 0.256 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c([O-])c1O ZINC000272801578 353095765 /nfs/dbraw/zinc/09/57/65/353095765.db2.gz YQKLDFTYGRMMHU-WPRPVWTQSA-N -1 3 294.307 0.169 20 10 CCCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2COC[C@H]2O)c1 ZINC000296048885 353928976 /nfs/dbraw/zinc/92/89/76/353928976.db2.gz UZALRDJJKJVHJL-XTWCZFFVSA-N -1 3 281.308 0.589 20 10 CCCDHM COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000179881426 389664093 /nfs/dbraw/zinc/66/40/93/389664093.db2.gz JGEKOZDLCHABIK-NSHDSACASA-N -1 3 296.298 0.395 20 10 CCCDHM CNC(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126326869 260350196 /nfs/dbraw/zinc/35/01/96/260350196.db2.gz ADAKXLUFQWKYMU-SECBINFHSA-N -1 3 264.281 0.448 20 10 CCCDHM CNC(=O)C1CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000186206585 262084342 /nfs/dbraw/zinc/08/43/42/262084342.db2.gz HPMBYAPKRNZRKH-UHFFFAOYSA-N -1 3 264.281 0.224 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](N2CCCC2=O)C1 ZINC000276823387 263038241 /nfs/dbraw/zinc/03/82/41/263038241.db2.gz VIWMXSSOPVNMPS-JTQLQIEISA-N -1 3 290.319 0.935 20 10 CCCDHM C[C@@H](C[S@](C)=O)N(C)C(=O)c1cccc(O)c1[O-] ZINC000189921660 264338757 /nfs/dbraw/zinc/33/87/57/264338757.db2.gz XSJMKNQIPXOGBM-ASCAZGACSA-N -1 3 271.338 0.937 20 10 CCCDHM CS(=O)(=O)N[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000272282869 328199587 /nfs/dbraw/zinc/19/95/87/328199587.db2.gz MYVNYHMKVDLCNV-JTQLQIEISA-N -1 3 288.344 0.655 20 10 CCCDHM CC(C)N1C(=O)C[C@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000274956419 519666889 /nfs/dbraw/zinc/66/68/89/519666889.db2.gz JMUINKOGMNBHCZ-VIFPVBQESA-N -1 3 292.291 0.364 20 10 CCCDHM CCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000101681604 520218639 /nfs/dbraw/zinc/21/86/39/520218639.db2.gz JAZTZZNPJQWSLS-UHFFFAOYSA-N -1 3 272.326 0.856 20 10 CCCDHM CCN1CCN(C(=O)c2cccc(O)c2[O-])CC1=O ZINC000280367199 521670909 /nfs/dbraw/zinc/67/09/09/521670909.db2.gz DGBLEDOAMMQAIA-UHFFFAOYSA-N -1 3 264.281 0.402 20 10 CCCDHM COC[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000275913039 522866912 /nfs/dbraw/zinc/86/69/12/522866912.db2.gz FQXBLQPDJYQISQ-VHSXEESVSA-N -1 3 281.308 0.974 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC(=O)N1C ZINC000282331946 524871981 /nfs/dbraw/zinc/87/19/81/524871981.db2.gz KLLYNGLVFGYXTR-MRVPVSSYSA-N -1 3 264.281 0.401 20 10 CCCDHM O=C(NC[C@@H](O)C1CCOCC1)c1cccc(O)c1[O-] ZINC000279299222 526485071 /nfs/dbraw/zinc/48/50/71/526485071.db2.gz NFIIIJIOGYUGPX-GFCCVEGCSA-N -1 3 281.308 0.615 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(=O)N(C2CC2)C1 ZINC000279613539 526770146 /nfs/dbraw/zinc/77/01/46/526770146.db2.gz RESCLCDFSNTJQV-UHFFFAOYSA-N -1 3 262.265 0.502 20 10 CCCDHM COC[C@H](NCc1cc(F)ccc1[O-])C(=O)OC ZINC000789574230 581151620 /nfs/dbraw/zinc/15/16/20/581151620.db2.gz CBPQTZFZJSJFAI-JTQLQIEISA-N -1 3 257.261 0.809 20 10 CCCDHM COC[C@H](NCc1cc2c(cc1[O-])OCO2)C(=O)OC ZINC000789574661 581151861 /nfs/dbraw/zinc/15/18/61/581151861.db2.gz DOTSZJPMVBWZKQ-VIFPVBQESA-N -1 3 283.280 0.399 20 10 CCCDHM NC(=O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000790906909 581201872 /nfs/dbraw/zinc/20/18/72/581201872.db2.gz YIKABCCJAFZQHW-SECBINFHSA-N -1 3 278.308 0.968 20 10 CCCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCNC1=O ZINC000790905346 581201996 /nfs/dbraw/zinc/20/19/96/581201996.db2.gz LYAZHUJLNYHBCU-QMMMGPOBSA-N -1 3 250.254 0.058 20 10 CCCDHM Cc1ccc(C(=O)NCC[S@](C)=O)c([O-])c1O ZINC000780933568 581250451 /nfs/dbraw/zinc/25/04/51/581250451.db2.gz OGOWJSZXWABZME-KRWDZBQOSA-N -1 3 257.311 0.515 20 10 CCCDHM COCC[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000780954839 581252110 /nfs/dbraw/zinc/25/21/10/581252110.db2.gz AFPJXPHQGJKAEA-AWEZNQCLSA-N -1 3 283.324 0.924 20 10 CCCDHM CCOCCOC[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000792525690 581264712 /nfs/dbraw/zinc/26/47/12/581264712.db2.gz KKSFGTZGLKIFRK-JTQLQIEISA-N -1 3 289.353 0.598 20 10 CCCDHM CNC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000781608162 581272592 /nfs/dbraw/zinc/27/25/92/581272592.db2.gz OMAFKWUDIPHBPS-JTQLQIEISA-N -1 3 266.297 0.598 20 10 CCCDHM CN1CC[C@H](NC(=O)c2cccc(O)c2[O-])CC1=O ZINC000793920323 581319849 /nfs/dbraw/zinc/31/98/49/581319849.db2.gz PAYPPSYFNXIHKT-QMMMGPOBSA-N -1 3 264.281 0.448 20 10 CCCDHM C[C@]1(C(N)=O)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000796328106 581436916 /nfs/dbraw/zinc/43/69/16/581436916.db2.gz VSWOUIPCOUSOPC-NSHDSACASA-N -1 3 254.311 0.791 20 10 CCCDHM CNC(=O)C(=O)NCc1cc(Br)ccc1[O-] ZINC000796640538 581446595 /nfs/dbraw/zinc/44/65/95/581446595.db2.gz PFPKOZMOESXLII-UHFFFAOYSA-N -1 3 287.113 0.517 20 10 CCCDHM O=C(OCCCN1C(=O)CNC1=O)c1cc([O-])cs1 ZINC000733497284 581508024 /nfs/dbraw/zinc/50/80/24/581508024.db2.gz RVYFBMCGDOCCJC-UHFFFAOYSA-N -1 3 284.293 0.552 20 10 CCCDHM C[C@@H](CNCc1cc([N+](=O)[O-])ccc1[O-])S(C)(=O)=O ZINC000754085395 581574800 /nfs/dbraw/zinc/57/48/00/581574800.db2.gz KNDPKZPORBBHEH-QMMMGPOBSA-N -1 3 288.325 0.823 20 10 CCCDHM NC(=O)C1(CNC(=O)c2cc([O-])cs2)CCOCC1 ZINC000732271369 581812453 /nfs/dbraw/zinc/81/24/53/581812453.db2.gz IFNCKLQCJNBEQX-UHFFFAOYSA-N -1 3 284.337 0.466 20 10 CCCDHM O=C(NCc1nnnn1C1CC1)c1cc([O-])cs1 ZINC000743751449 581824093 /nfs/dbraw/zinc/82/40/93/581824093.db2.gz HIPSHBFPIPUUCV-UHFFFAOYSA-N -1 3 265.298 0.705 20 10 CCCDHM CN(Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCNC1=O ZINC000768465457 582107132 /nfs/dbraw/zinc/10/71/32/582107132.db2.gz NCKDJXOOTKRULX-ZYHUDNBSSA-N -1 3 278.308 0.138 20 10 CCCDHM CS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000800632363 617184408 /nfs/dbraw/zinc/18/44/08/617184408.db2.gz VXQPOQXFSAOFAL-QMMMGPOBSA-N -1 3 285.321 0.357 20 10 CCCDHM CCOC(=O)[C@H](CCOC)NC(=O)c1cccc(O)c1[O-] ZINC000799071868 615353736 /nfs/dbraw/zinc/35/37/36/615353736.db2.gz UZQKNYRHYZFOGB-JTQLQIEISA-N -1 3 297.307 0.796 20 10 CCCDHM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(O)c1[O-] ZINC000193127080 625516066 /nfs/dbraw/zinc/51/60/66/625516066.db2.gz ISFPUJUEWNDWJC-QMMMGPOBSA-N -1 3 276.292 0.591 20 10 CCCDHM C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(F)c(F)c1[O-] ZINC000895325140 632056711 /nfs/dbraw/zinc/05/67/11/632056711.db2.gz OHIILADZODZBDI-RNCFNFMXSA-N -1 3 273.279 0.988 20 10 CCCDHM O=C(NCC1CC2(C1)OCCO2)c1cccc(O)c1[O-] ZINC000832192020 642455031 /nfs/dbraw/zinc/45/50/31/642455031.db2.gz BXCRJGROWSPAFM-UHFFFAOYSA-N -1 3 279.292 0.981 20 10 CCCDHM NC(=O)C1=NO[C@@H](CNCc2cc(F)cc(F)c2[O-])C1 ZINC000883104871 647489008 /nfs/dbraw/zinc/48/90/08/647489008.db2.gz PHNOUWJMFJDBHN-MRVPVSSYSA-N -1 3 285.250 0.390 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H](O)C1CCOCC1 ZINC000928705299 648658279 /nfs/dbraw/zinc/65/82/79/648658279.db2.gz IZUACLIPDNJXTB-ZDUSSCGKSA-N -1 3 283.299 0.935 20 10 CCCDHM NC(=O)C1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC000928712073 648659137 /nfs/dbraw/zinc/65/91/37/648659137.db2.gz OIKUDUJWGLGGIJ-UHFFFAOYSA-N -1 3 266.272 0.803 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)C1(n2cnnn2)CC1 ZINC000928712963 648659151 /nfs/dbraw/zinc/65/91/51/648659151.db2.gz YVFRPEWYDXPETP-UHFFFAOYSA-N -1 3 277.259 0.323 20 10 CCCDHM CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453549 805807550 /nfs/dbraw/zinc/80/75/50/805807550.db2.gz IKWRRXRYUWHHHN-GFCCVEGCSA-N -1 3 278.308 0.801 20 10 CCCDHM CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453549 805807557 /nfs/dbraw/zinc/80/75/57/805807557.db2.gz IKWRRXRYUWHHHN-GFCCVEGCSA-N -1 3 278.308 0.801 20 10 CCCDHM CN(C)C1CN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231561799 805818558 /nfs/dbraw/zinc/81/85/58/805818558.db2.gz ZZRCVUPQYGDOBQ-UHFFFAOYSA-N -1 3 250.298 0.836 20 10 CCCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H](O)[C@H](CO)C1 ZINC001139685661 799829908 /nfs/dbraw/zinc/82/99/08/799829908.db2.gz RWNRXBSUSLOKKM-UFBFGSQYSA-N -1 3 273.279 0.846 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](CO)[C@H](O)C1 ZINC001142508545 800126349 /nfs/dbraw/zinc/12/63/49/800126349.db2.gz CLYXEGFTLDXEQR-AMIZOPFISA-N -1 3 273.279 0.846 20 10 CCCDHM O=C(NC[C@@H]1CCCCS1(=O)=O)c1cccc(O)c1[O-] ZINC000694396743 811438712 /nfs/dbraw/zinc/43/87/12/811438712.db2.gz KUNARCLZVGYZDO-VIFPVBQESA-N -1 3 299.348 0.795 20 10 CCCDHM CCN(C(=O)c1cccc(O)c1[O-])C1CN(C)C1 ZINC001148218612 840764860 /nfs/dbraw/zinc/76/48/60/840764860.db2.gz HSFJVPBTOBLDOY-UHFFFAOYSA-N -1 3 250.298 0.874 20 10 CCCDHM CCOC(=O)[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC001148219051 840766297 /nfs/dbraw/zinc/76/62/97/840766297.db2.gz TUSANOPZNQULGU-JTQLQIEISA-N -1 3 295.291 0.502 20 10 CCCDHM CN(C(=O)c1cc(O)c([O-])c(O)c1)c1nccnc1N ZINC001148582185 840848650 /nfs/dbraw/zinc/84/86/50/840848650.db2.gz ZNUXLZFFPYXRMA-UHFFFAOYSA-N -1 3 276.252 0.452 20 10 CCCDHM CCNC(=O)CN(C)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581753 840849146 /nfs/dbraw/zinc/84/91/46/840849146.db2.gz UWPPLZFVEVPHIR-UHFFFAOYSA-N -1 3 268.269 0.012 20 10 CCCDHM C[C@H]1C[C@@H](CO)N(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148583033 840849533 /nfs/dbraw/zinc/84/95/33/840849533.db2.gz PYACOWAOJSSMMW-CBAPKCEASA-N -1 3 267.281 0.646 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(COC2)C1 ZINC001148583116 840849747 /nfs/dbraw/zinc/84/97/47/840849747.db2.gz UFMOHHHIQHUNBH-UHFFFAOYSA-N -1 3 265.265 0.666 20 10 CCCDHM CCCC[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C(N)=O ZINC001148591299 840855869 /nfs/dbraw/zinc/85/58/69/840855869.db2.gz XGJQIKYFSUCSIM-QMMMGPOBSA-N -1 3 282.296 0.577 20 10 CCCDHM O=C(N[C@@H]1CCOC[C@@H]1F)c1cc(O)c([O-])c(O)c1 ZINC001148590819 840856980 /nfs/dbraw/zinc/85/69/80/840856980.db2.gz QXDDVNCRMLNZEW-JGVFFNPUSA-N -1 3 271.244 0.660 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC2(C1)OCCO2 ZINC000396531749 854366929 /nfs/dbraw/zinc/36/69/29/854366929.db2.gz NQGIYBIRXSHODQ-UHFFFAOYSA-N -1 3 265.265 0.687 20 10 CCCDHM CN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC001118315191 856255459 /nfs/dbraw/zinc/25/54/59/856255459.db2.gz MMEFPQLAFWYVFV-UHFFFAOYSA-N -1 3 262.269 0.727 20 10 CCCDHM CO[C@@H]1COCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001324805789 913044531 /nfs/dbraw/zinc/04/45/31/913044531.db2.gz IYTNCOLXLOHEGH-JOYOIKCWSA-N -1 3 281.308 0.879 20 10 CCCDHM NC(=O)N1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001334409667 919560381 /nfs/dbraw/zinc/56/03/81/919560381.db2.gz RXBHJDLPHRDZLV-QMMMGPOBSA-N -1 3 279.296 0.228 20 10 CCCDHM COc1cccc([O-])c1C[NH2+]CCC(=O)NCCC(=O)[O-] ZINC001599680269 994968433 /nfs/dbraw/zinc/96/84/33/994968433.db2.gz JCJVVRATFYYUDQ-UHFFFAOYSA-N -1 3 296.323 0.471 20 10 CCCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])N1CCN(C)CC1 ZINC000187106885 351530210 /nfs/dbraw/zinc/53/02/10/351530210.db2.gz HOKIUHLZHSXNTI-LLVKDONJSA-N -1 3 293.367 0.464 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](C)N1CCOCC1 ZINC000193023006 351808407 /nfs/dbraw/zinc/80/84/07/351808407.db2.gz JHNPQTRUQBRWDD-QWRGUYRKSA-N -1 3 294.351 0.937 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)[C@@H](O)C2)c1[O-] ZINC000232595012 352146362 /nfs/dbraw/zinc/14/63/62/352146362.db2.gz PKLNPDNEOXEHEC-RYUDHWBXSA-N -1 3 269.272 0.271 20 10 CCCDHM Cc1ccc(C(=O)NC2CCS(=O)(=O)CC2)c([O-])c1O ZINC000271240268 353033415 /nfs/dbraw/zinc/03/34/15/353033415.db2.gz DWAVNLWKMJKJKW-UHFFFAOYSA-N -1 3 299.348 0.713 20 10 CCCDHM CN(Cc1cccc(F)c1[O-])C[C@H](O)CN1CCOCC1 ZINC000272339678 353053835 /nfs/dbraw/zinc/05/38/35/353053835.db2.gz YMTVUWCVMJGKRN-ZDUSSCGKSA-N -1 3 298.358 0.656 20 10 CCCDHM COC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCO1 ZINC000272706697 353086667 /nfs/dbraw/zinc/08/66/67/353086667.db2.gz CRAXXPDHBDVSOX-JTQLQIEISA-N -1 3 281.308 0.894 20 10 CCCDHM COC(=O)CN(CC(N)=O)Cc1cc(Cl)ccc1[O-] ZINC000109779586 291078296 /nfs/dbraw/zinc/07/82/96/291078296.db2.gz NWIWUMDCQGXFET-UHFFFAOYSA-N -1 3 286.715 0.506 20 10 CCCDHM Cc1nc2n(n1)CCN(C(=O)c1ccc(C)c(O)c1[O-])C2 ZINC000364697095 357131261 /nfs/dbraw/zinc/13/12/61/357131261.db2.gz CXGDOOQAOBANQV-UHFFFAOYSA-N -1 3 288.307 0.962 20 10 CCCDHM NC(=O)[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000180021380 389665509 /nfs/dbraw/zinc/66/55/09/389665509.db2.gz MVJCTXUQXINGBP-LLVKDONJSA-N -1 3 254.261 0.217 20 10 CCCDHM COCCN(CCOC)C(=O)c1cccc(O)c1[O-] ZINC000126282262 260348460 /nfs/dbraw/zinc/34/84/60/260348460.db2.gz NLYOHGRZJHHOOA-UHFFFAOYSA-N -1 3 269.297 0.833 20 10 CCCDHM CCN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126233255 264213679 /nfs/dbraw/zinc/21/36/79/264213679.db2.gz CYQDRDYKVGTACR-UHFFFAOYSA-N -1 3 250.298 0.876 20 10 CCCDHM C[C@@H](CC[S@](C)=O)NC(=O)c1cccc(O)c1[O-] ZINC000126553922 264221334 /nfs/dbraw/zinc/22/13/34/264221334.db2.gz TUCIAMXXTZWJLQ-DCXZOGHSSA-N -1 3 271.338 0.985 20 10 CCCDHM COC(=O)C[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000366317492 523304077 /nfs/dbraw/zinc/30/40/77/523304077.db2.gz WJYPGZWZBKEMEL-SECBINFHSA-N -1 3 295.291 0.502 20 10 CCCDHM C[C@H](CS(C)(=O)=O)NC(=O)c1cccc(O)c1[O-] ZINC000126446543 524606291 /nfs/dbraw/zinc/60/62/91/524606291.db2.gz UQFPUXVNSCPAIN-SSDOTTSWSA-N -1 3 273.310 0.261 20 10 CCCDHM C[C@@H](CS(C)(=O)=O)NC(=O)c1cccc(O)c1[O-] ZINC000126446272 524834629 /nfs/dbraw/zinc/83/46/29/524834629.db2.gz UQFPUXVNSCPAIN-ZETCQYMHSA-N -1 3 273.310 0.261 20 10 CCCDHM O=C(NC[C@@H](CO)[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000280416629 526479186 /nfs/dbraw/zinc/47/91/86/526479186.db2.gz IKGHWATWWINOOS-UWVGGRQHSA-N -1 3 281.308 0.473 20 10 CCCDHM O=C(N[C@@H]1CC[S@](=O)C1)c1cccc(O)c1[O-] ZINC000790808130 581199246 /nfs/dbraw/zinc/19/92/46/581199246.db2.gz OIFRQCBEYODNOW-GJEGPGMTSA-N -1 3 255.295 0.349 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN2C(=O)OCC[C@@H]2C1 ZINC000790906017 581201925 /nfs/dbraw/zinc/20/19/25/581201925.db2.gz BKOLHENVJCLARX-SECBINFHSA-N -1 3 292.291 0.765 20 10 CCCDHM COCC1(O)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790906266 581201983 /nfs/dbraw/zinc/20/19/83/581201983.db2.gz WGLSHQXCORZULK-UHFFFAOYSA-N -1 3 281.308 0.711 20 10 CCCDHM O=C(NCc1nnnn1CC1CC1)c1cccc(O)c1[O-] ZINC000790936419 581202676 /nfs/dbraw/zinc/20/26/76/581202676.db2.gz BJLAVFNXBVLXRF-UHFFFAOYSA-N -1 3 289.295 0.424 20 10 CCCDHM Cc1ccc(C(=O)N(C)[C@H]2CCNC2=O)c([O-])c1O ZINC000781000000 581255418 /nfs/dbraw/zinc/25/54/18/581255418.db2.gz SHTUDGCDKKUYFL-VIFPVBQESA-N -1 3 264.281 0.367 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(F)(F)C[C@@H]1CO ZINC000781329323 581264833 /nfs/dbraw/zinc/26/48/33/581264833.db2.gz DHBKORPAMQGGBE-SSDOTTSWSA-N -1 3 273.235 0.940 20 10 CCCDHM CNC(=O)[C@@H](C)CN(C)C(=O)c1cc([O-])cs1 ZINC000747943844 581957280 /nfs/dbraw/zinc/95/72/80/581957280.db2.gz KXPVDZMKMHJJAK-ZETCQYMHSA-N -1 3 256.327 0.908 20 10 CCCDHM CCS(=O)(=O)CC(=O)NCc1c([O-])cccc1F ZINC000928712715 615529347 /nfs/dbraw/zinc/52/93/47/615529347.db2.gz XJDHJDFCOFJCOP-UHFFFAOYSA-N -1 3 275.301 0.582 20 10 CCCDHM CN1C[C@@H](C(=O)NCc2c([O-])cccc2F)NC1=O ZINC000928706018 616275560 /nfs/dbraw/zinc/27/55/60/616275560.db2.gz NQWCEIXFVTVTJE-VIFPVBQESA-N -1 3 267.260 0.171 20 10 CCCDHM COC1(OC)CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1O ZINC000824070896 616467461 /nfs/dbraw/zinc/46/74/61/616467461.db2.gz VPAKMOJKRYNRTP-LLVKDONJSA-N -1 3 297.307 0.294 20 10 CCCDHM CN1N=C(C(=O)NCc2c([O-])cccc2F)CCC1=O ZINC000928709590 616522169 /nfs/dbraw/zinc/52/21/69/616522169.db2.gz JTUYWENYJVSYNN-UHFFFAOYSA-N -1 3 279.271 0.756 20 10 CCCDHM COCC(COC)NC(=O)NCc1c([O-])cccc1F ZINC000922726481 616732455 /nfs/dbraw/zinc/73/24/55/616732455.db2.gz UYDRTNWCWAFBPX-UHFFFAOYSA-N -1 3 286.303 0.992 20 10 CCCDHM CON(C)C(=O)[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000923478387 617047368 /nfs/dbraw/zinc/04/73/68/617047368.db2.gz AWKYEDLGLNWAON-MRVPVSSYSA-N -1 3 299.302 0.739 20 10 CCCDHM O=C1CCN(Cc2cc(F)cc(F)c2[O-])CCN1 ZINC000894003636 631498777 /nfs/dbraw/zinc/49/87/77/631498777.db2.gz OQJMDRPEKGCKMQ-UHFFFAOYSA-N -1 3 256.252 0.992 20 10 CCCDHM NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC000895367589 632069308 /nfs/dbraw/zinc/06/93/08/632069308.db2.gz FMLADFZZDGTRNP-ZJUUUORDSA-N -1 3 270.716 0.466 20 10 CCCDHM Cc1cc([O-])c(CN2C[C@H](O)C[C@H]2C(N)=O)c(Cl)c1 ZINC000895945283 632180609 /nfs/dbraw/zinc/18/06/09/632180609.db2.gz IVJKXNWVHMTFIG-KCJUWKMLSA-N -1 3 284.743 0.775 20 10 CCCDHM O=C(CNC(=O)C1CC1)NCc1c([O-])cccc1F ZINC000928712612 632548451 /nfs/dbraw/zinc/54/84/51/632548451.db2.gz UQEJJPFSCHNYMA-UHFFFAOYSA-N -1 3 266.272 0.674 20 10 CCCDHM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000899286568 633790857 /nfs/dbraw/zinc/79/08/57/633790857.db2.gz CYTIOCSOVLLALW-ZJUUUORDSA-N -1 3 281.308 0.758 20 10 CCCDHM COCC[C@@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000229413114 637113375 /nfs/dbraw/zinc/11/33/75/637113375.db2.gz ZSQWTGCLPUJJFO-CYBMUJFWSA-N -1 3 269.297 0.615 20 10 CCCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H](O)[C@H](CO)C1 ZINC000839167312 640302965 /nfs/dbraw/zinc/30/29/65/640302965.db2.gz WYKDFHKXNNHWID-GZMMTYOYSA-N -1 3 275.707 0.970 20 10 CCCDHM O=C(NC[C@@H]1CCCNC1=O)c1cccc(O)c1[O-] ZINC000839670251 640351628 /nfs/dbraw/zinc/35/16/28/640351628.db2.gz KOOZIIBYSZNGRY-QMMMGPOBSA-N -1 3 264.281 0.354 20 10 CCCDHM C[C@@H](N[C@H]1CCNC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850483046 643802757 /nfs/dbraw/zinc/80/27/57/643802757.db2.gz WHDIIAUKCPYUOU-XCBNKYQSSA-N -1 3 265.269 0.840 20 10 CCCDHM Cc1nn(CC(=O)NCc2c([O-])cccc2F)c(=O)o1 ZINC000928712598 648659193 /nfs/dbraw/zinc/65/91/93/648659193.db2.gz SMBWTAYNXJWZSH-UHFFFAOYSA-N -1 3 281.243 0.306 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c([O-])c1 ZINC001231446309 805804163 /nfs/dbraw/zinc/80/41/63/805804163.db2.gz GPAZKDWEUNLWGE-PWSUYJOCSA-N -1 3 269.272 0.995 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c([O-])c1 ZINC001231446309 805804171 /nfs/dbraw/zinc/80/41/71/805804171.db2.gz GPAZKDWEUNLWGE-PWSUYJOCSA-N -1 3 269.272 0.995 20 10 CCCDHM CN1C[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C[C@@H]2C1=O ZINC001231563196 805817922 /nfs/dbraw/zinc/81/79/22/805817922.db2.gz ICDASYQTTJDKKI-NEPJUHHUSA-N -1 3 290.319 0.610 20 10 CCCDHM CN1C[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C[C@@H]2C1=O ZINC001231563196 805817932 /nfs/dbraw/zinc/81/79/32/805817932.db2.gz ICDASYQTTJDKKI-NEPJUHHUSA-N -1 3 290.319 0.610 20 10 CCCDHM [NH3+]CCS(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001237705701 806712860 /nfs/dbraw/zinc/71/28/60/806712860.db2.gz GXASOKAHKINGAR-UHFFFAOYSA-N -1 3 252.242 0.371 20 10 CCCDHM O=C1CN(C2CN(Cc3cc(F)ccc3[O-])C2)CCN1 ZINC001140054942 799877948 /nfs/dbraw/zinc/87/79/48/799877948.db2.gz ALMHQCQMPVJFAS-UHFFFAOYSA-N -1 3 279.315 0.147 20 10 CCCDHM CN(Cc1c([O-])cccc1Br)C[C@H](O)CO ZINC001140100351 799881491 /nfs/dbraw/zinc/88/14/91/799881491.db2.gz MCNDQKNRPOCQTH-QMMMGPOBSA-N -1 3 290.157 0.940 20 10 CCCDHM CCN1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000722345926 812128416 /nfs/dbraw/zinc/12/84/16/812128416.db2.gz UZGHRPDIMRHRAU-SNVBAGLBSA-N -1 3 278.308 0.839 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712263539 820223204 /nfs/dbraw/zinc/22/32/04/820223204.db2.gz GWJOWCSDUAFIQL-DVVUODLYSA-N -1 3 263.293 0.941 20 10 CCCDHM C[C@]1(CO)CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1O ZINC001148212186 840761883 /nfs/dbraw/zinc/76/18/83/840761883.db2.gz QEAIVYIJSMDGAH-BXUZGUMPSA-N -1 3 281.308 0.303 20 10 CCCDHM CCOC(=O)[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC001148219052 840766231 /nfs/dbraw/zinc/76/62/31/840766231.db2.gz TUSANOPZNQULGU-SNVBAGLBSA-N -1 3 295.291 0.502 20 10 CCCDHM C[C@]1(CO)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@H]1O ZINC001148583295 840854335 /nfs/dbraw/zinc/85/43/35/840854335.db2.gz XDHLNHASPOHWNX-BXUZGUMPSA-N -1 3 297.307 0.009 20 10 CCCDHM O=C(NC[C@H]1C[C@@H](O)C1)c1cc(O)c([O-])c(O)c1 ZINC001148590197 840856694 /nfs/dbraw/zinc/85/66/94/840856694.db2.gz YNDWPNACOSJELA-WRXNHJIOSA-N -1 3 253.254 0.304 20 10 CCCDHM O=C(N[C@H](CO)c1ncc[nH]1)c1cccc(O)c1[O-] ZINC001179172589 842970869 /nfs/dbraw/zinc/97/08/69/842970869.db2.gz MPRMGYHZKZMJIM-MRVPVSSYSA-N -1 3 263.253 0.284 20 10 CCCDHM C[C@@](O)(CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000386702977 853948392 /nfs/dbraw/zinc/94/83/92/853948392.db2.gz QZLIGLTXGMYFNV-CYBMUJFWSA-N -1 3 251.282 0.989 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(C2CS(=O)(=O)C2)C1 ZINC001298242886 907193257 /nfs/dbraw/zinc/19/32/57/907193257.db2.gz GXRQJPVLTHQUDF-UHFFFAOYSA-N -1 3 297.332 0.214 20 10 CCCDHM [O-]c1c(F)cc(F)cc1CN1C[C@@H](O)C[C@H]1CO ZINC001350315519 925169397 /nfs/dbraw/zinc/16/93/97/925169397.db2.gz DYUKJEIXONVHGE-UWVGGRQHSA-N -1 3 259.252 0.598 20 10 CCCDHM C[C@H]([NH2+][C@@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1[O-] ZINC001594240653 959528761 /nfs/dbraw/zinc/52/87/61/959528761.db2.gz HZTDZSQDPXLJII-GXSJLCMTSA-N -1 3 278.308 0.728 20 10 CCCDHM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(O)c1[O-] ZINC000193157590 351814464 /nfs/dbraw/zinc/81/44/64/351814464.db2.gz HUOATBKHGKXBCI-VIFPVBQESA-N -1 3 290.319 0.839 20 10 CCCDHM COC(=O)[C@]1(NC(=O)c2ccc(C)c(O)c2[O-])CCOC1 ZINC000272748367 353090561 /nfs/dbraw/zinc/09/05/61/353090561.db2.gz NRVZBMAJKUXLTR-AWEZNQCLSA-N -1 3 295.291 0.468 20 10 CCCDHM COC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000267618647 389372549 /nfs/dbraw/zinc/37/25/49/389372549.db2.gz UALQZTWDBCDWNL-ZETCQYMHSA-N -1 3 253.254 0.698 20 10 CCCDHM CC(=O)N1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000267637014 389373431 /nfs/dbraw/zinc/37/34/31/389373431.db2.gz YLTDWEDOYWLYMZ-UHFFFAOYSA-N -1 3 278.308 0.711 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c([O-])c1O ZINC000182557668 389710981 /nfs/dbraw/zinc/71/09/81/389710981.db2.gz GIIOHJKGOOVDCF-VIFPVBQESA-N -1 3 290.319 0.899 20 10 CCCDHM COCCN(Cc1ccccc1[O-])[C@H](C)C(N)=O ZINC000179571015 389659585 /nfs/dbraw/zinc/65/95/85/389659585.db2.gz WKPSFCBECXIKNH-SNVBAGLBSA-N -1 3 252.314 0.714 20 10 CCCDHM COCCN(Cc1cc(F)ccc1[O-])[C@H](C)C(N)=O ZINC000180087496 389666046 /nfs/dbraw/zinc/66/60/46/389666046.db2.gz UVEGYRSVIGZPDA-SECBINFHSA-N -1 3 270.304 0.854 20 10 CCCDHM CC(C)NC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000126535609 260354087 /nfs/dbraw/zinc/35/40/87/260354087.db2.gz PJCNXWXIPLKFHM-UHFFFAOYSA-N -1 3 266.297 0.742 20 10 CCCDHM C[C@@H]1c2nncn2CCN1C(=O)c1cccc(O)c1[O-] ZINC000276770094 278114339 /nfs/dbraw/zinc/11/43/39/278114339.db2.gz HIXGCOCGJIMQIM-MRVPVSSYSA-N -1 3 274.280 0.906 20 10 CCCDHM NC(=O)C1=NO[C@@H](CNCc2c([O-])cccc2Cl)C1 ZINC000276466224 328218680 /nfs/dbraw/zinc/21/86/80/328218680.db2.gz MDNQBIARYYZYNO-SSDOTTSWSA-N -1 3 283.715 0.765 20 10 CCCDHM COc1c([O-])c(CN2C[C@@H](O)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278468300 521875048 /nfs/dbraw/zinc/87/50/48/521875048.db2.gz GOBHYBAGCWUQRM-UWVGGRQHSA-N -1 3 298.295 0.237 20 10 CCCDHM COC[C@@](C)(CCO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000273068593 522522409 /nfs/dbraw/zinc/52/24/09/522522409.db2.gz ZOYXUMRKXYCPEH-CQSZACIVSA-N -1 3 283.324 0.924 20 10 CCCDHM COCCOCCNC(=O)c1cccc(O)c1[O-] ZINC000126356520 524008874 /nfs/dbraw/zinc/00/88/74/524008874.db2.gz LMSXYFNMHYOQGM-UHFFFAOYSA-N -1 3 255.270 0.491 20 10 CCCDHM Cc1ccc(C(=O)NCc2cnnn2C)c([O-])c1O ZINC000291904333 526188694 /nfs/dbraw/zinc/18/86/94/526188694.db2.gz ZXXFTRQXRDIWJP-UHFFFAOYSA-N -1 3 262.269 0.465 20 10 CCCDHM Cc1ccc(C(=O)NN2CCCNC2=O)c([O-])c1O ZINC000273127712 526191889 /nfs/dbraw/zinc/19/18/89/526191889.db2.gz UJPGLCNEUMKHQV-UHFFFAOYSA-N -1 3 265.269 0.466 20 10 CCCDHM NC(=O)C1=NO[C@H](CNCc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000276525362 526853685 /nfs/dbraw/zinc/85/36/85/526853685.db2.gz VWUWLHTVPZNLLZ-VIFPVBQESA-N -1 3 294.267 0.020 20 10 CCCDHM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1nnc[nH]1 ZINC000789994295 581169652 /nfs/dbraw/zinc/16/96/52/581169652.db2.gz AZIBITJCKAXZLC-YFKPBYRVSA-N -1 3 266.232 0.846 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCc2n[nH]c(=O)cc2C1 ZINC000790940519 581202791 /nfs/dbraw/zinc/20/27/91/581202791.db2.gz LSPCHBXIIGEKHL-UHFFFAOYSA-N -1 3 287.275 0.792 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H]2COCCO2)c([O-])c1O ZINC000780904984 581248965 /nfs/dbraw/zinc/24/89/65/581248965.db2.gz UMFYCDHUPKBZBS-VIFPVBQESA-N -1 3 267.281 0.551 20 10 CCCDHM CCCN(CC(=O)NCC(=O)[O-])Cc1ccccc1O ZINC000781154105 581260173 /nfs/dbraw/zinc/26/01/73/581260173.db2.gz GZWLLVFIZJBWQF-UHFFFAOYSA-N -1 3 280.324 0.805 20 10 CCCDHM O=C(NCCN1C(=O)CCC1=O)c1cc([O-])cs1 ZINC000733807119 581525131 /nfs/dbraw/zinc/52/51/31/581525131.db2.gz QQAXVVAWKKHTJR-UHFFFAOYSA-N -1 3 268.294 0.333 20 10 CCCDHM C[C@H](CNCc1cc([N+](=O)[O-])ccc1[O-])S(C)(=O)=O ZINC000754085392 581575058 /nfs/dbraw/zinc/57/50/58/581575058.db2.gz KNDPKZPORBBHEH-MRVPVSSYSA-N -1 3 288.325 0.823 20 10 CCCDHM COC(=O)[C@@H]1CN(Cc2c([O-])cccc2OC)CCO1 ZINC000769333011 581684959 /nfs/dbraw/zinc/68/49/59/581684959.db2.gz MZWJCWNFXYVTSX-ZDUSSCGKSA-N -1 3 281.308 0.775 20 10 CCCDHM NC(=O)c1cc(CNCc2cc(F)ccc2[O-])on1 ZINC000757906723 581713723 /nfs/dbraw/zinc/71/37/23/581713723.db2.gz OBUJVDJYBWKORT-UHFFFAOYSA-N -1 3 265.244 0.908 20 10 CCCDHM O=C(NC[C@H](O)C1CCOCC1)c1cc([O-])cs1 ZINC000736723861 581825617 /nfs/dbraw/zinc/82/56/17/581825617.db2.gz BEVNAMUCGWPABN-JTQLQIEISA-N -1 3 271.338 0.971 20 10 CCCDHM CO[C@]1(CNC(=O)c2ccc(C)c(O)c2[O-])CCOC1 ZINC000764448993 582047520 /nfs/dbraw/zinc/04/75/20/582047520.db2.gz AZRXBWKYUPNNKB-AWEZNQCLSA-N -1 3 281.308 0.942 20 10 CCCDHM CN1C[C@H](NC(=O)NCc2c([O-])cccc2F)CC1=O ZINC000921342692 616443137 /nfs/dbraw/zinc/44/31/37/616443137.db2.gz YUSAAIDMQQIZJL-MRVPVSSYSA-N -1 3 281.287 0.561 20 10 CCCDHM COc1c([O-])c(CNCc2cnnn2C)ccc1[N+](=O)[O-] ZINC000809784704 617149342 /nfs/dbraw/zinc/14/93/42/617149342.db2.gz YDRSXQDMLHCUFP-UHFFFAOYSA-N -1 3 293.283 0.727 20 10 CCCDHM O=C(NCCNC(=O)C1CC1)NCc1c([O-])cccc1F ZINC000913899000 637463205 /nfs/dbraw/zinc/46/32/05/637463205.db2.gz YYFPOXCJALWAQH-UHFFFAOYSA-N -1 3 295.314 0.857 20 10 CCCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)C(=O)N(C)C ZINC000914169626 637549875 /nfs/dbraw/zinc/54/98/75/637549875.db2.gz XTAACTYZDKPVSP-MRVPVSSYSA-N -1 3 283.303 0.807 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C1(S(C)(=O)=O)CC1 ZINC000804542851 640772696 /nfs/dbraw/zinc/77/26/96/640772696.db2.gz PGFXCXQDFWBYSK-QMMMGPOBSA-N -1 3 299.348 0.793 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000846560170 643422572 /nfs/dbraw/zinc/42/25/72/643422572.db2.gz KABIIRNDEPWNEZ-KEJSXXJDSA-N -1 3 267.306 0.443 20 10 CCCDHM [O-]c1c(Br)cccc1CN1C[C@H](O)[C@@H](O)C1 ZINC000862446135 645000835 /nfs/dbraw/zinc/00/08/35/645000835.db2.gz RPHDYDQFELJYEG-UWVGGRQHSA-N -1 3 288.141 0.692 20 10 CCCDHM O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(O)c1[O-] ZINC000126197482 646675685 /nfs/dbraw/zinc/67/56/85/646675685.db2.gz ZILPPZRSIRELMS-ZETCQYMHSA-N -1 3 271.294 0.015 20 10 CCCDHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(O)c1[O-] ZINC000126330079 646728596 /nfs/dbraw/zinc/72/85/96/646728596.db2.gz HKMLUMSEQQGRCE-IUCAKERBSA-N -1 3 278.308 0.824 20 10 CCCDHM NC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928704921 648658295 /nfs/dbraw/zinc/65/82/95/648658295.db2.gz BECBBNACADPZBA-SFYZADRCSA-N -1 3 266.272 0.659 20 10 CCCDHM O=C(NCC1(CO)CCC1)c1cccc(O)c1[O-] ZINC000193161704 649528589 /nfs/dbraw/zinc/52/85/89/649528589.db2.gz JROJZMDWBRMXAZ-UHFFFAOYSA-N -1 3 251.282 0.990 20 10 CCCDHM CN1CCO[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231450787 805802720 /nfs/dbraw/zinc/80/27/20/805802720.db2.gz UZGCPRZVCIPSKV-OCCSQVGLSA-N -1 3 292.335 0.605 20 10 CCCDHM CN1CCO[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231450787 805802731 /nfs/dbraw/zinc/80/27/31/805802731.db2.gz UZGCPRZVCIPSKV-OCCSQVGLSA-N -1 3 292.335 0.605 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1C[C@H](O)[C@@H](CO)C1 ZINC001233332796 806041918 /nfs/dbraw/zinc/04/19/18/806041918.db2.gz XVTYJEGEELROLP-HQJQHLMTSA-N -1 3 259.252 0.455 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@](O)(C(F)F)C1 ZINC001141127897 799981640 /nfs/dbraw/zinc/98/16/40/799981640.db2.gz XNWDEEDFUVPAFF-LBPRGKRZSA-N -1 3 273.235 0.940 20 10 CCCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1O ZINC000400464128 803770427 /nfs/dbraw/zinc/77/04/27/803770427.db2.gz UFSBYDYGOZVVRH-GZMMTYOYSA-N -1 3 251.282 0.941 20 10 CCCDHM COC(CN(C)C(=O)c1cccc(O)c1[O-])OC ZINC000714706183 815114950 /nfs/dbraw/zinc/11/49/50/815114950.db2.gz RKPUUVWNMOFMGV-UHFFFAOYSA-N -1 3 255.270 0.789 20 10 CCCDHM NC(=O)CC1(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC001252047352 807775886 /nfs/dbraw/zinc/77/58/86/807775886.db2.gz OYXJLIJLWCOAHM-UHFFFAOYSA-N -1 3 295.314 0.986 20 10 CCCDHM C[C@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1O ZINC001148582244 840851120 /nfs/dbraw/zinc/85/11/20/840851120.db2.gz HAHUGTJPNHEJHK-WKEGUHRASA-N -1 3 253.254 0.256 20 10 CCCDHM COCCOC1CN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148587091 840851624 /nfs/dbraw/zinc/85/16/24/840851624.db2.gz CWPIAYAVVCYMGA-UHFFFAOYSA-N -1 3 283.280 0.291 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCn2nncc2C1 ZINC001148587405 840853869 /nfs/dbraw/zinc/85/38/69/840853869.db2.gz IEIIQYRCMAJSFE-UHFFFAOYSA-N -1 3 276.252 0.051 20 10 CCCDHM COC(=O)[C@H]1C[C@H]1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148591072 840856563 /nfs/dbraw/zinc/85/65/63/840856563.db2.gz SQXODNFCZVVSLR-YUMQZZPRSA-N -1 3 281.264 0.342 20 10 CCCDHM O=S(=O)([N-]C[C@H](O)c1ccc(O)c(O)c1)c1ccco1 ZINC001186805958 844599334 /nfs/dbraw/zinc/59/93/34/844599334.db2.gz BGHXMTMRRMKYMT-NSHDSACASA-N -1 3 299.304 0.703 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(CCOC2=O)C1 ZINC001347723719 924518873 /nfs/dbraw/zinc/51/88/73/924518873.db2.gz HMQNMZIGHGMVNN-CQSZACIVSA-N -1 3 277.276 0.877 20 10 CCCDHM O=C(Cc1ccc(O)c(O)c1)NCCCc1cc(=O)[nH][n-]1 ZINC001450667130 931324148 /nfs/dbraw/zinc/32/41/48/931324148.db2.gz QKOJRXRKJGBEJJ-UHFFFAOYSA-N -1 3 291.307 0.413 20 10 CCCDHM CN(C)C(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001451425044 931432520 /nfs/dbraw/zinc/43/25/20/931432520.db2.gz VDMHAZOHBNCFNO-SECBINFHSA-N -1 3 278.308 0.648 20 10 CCCDHM C[C@@H]([NH2+]CC(=O)NCC(=O)[O-])c1ccccc1[O-] ZINC001594206742 959277621 /nfs/dbraw/zinc/27/76/21/959277621.db2.gz XJEIVYMTIIWXFX-MRVPVSSYSA-N -1 3 252.270 0.244 20 10 CCCDHM COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)C(=O)[O-])c1[O-] ZINC001604719615 973920263 /nfs/dbraw/zinc/92/02/63/973920263.db2.gz JEQRDZZGDHCLLI-LBPRGKRZSA-N -1 3 289.715 0.979 20 10 CCCDHM C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268086 994592779 /nfs/dbraw/zinc/59/27/79/994592779.db2.gz SEXAFWSRMBKNEY-ZYHUDNBSSA-N -1 3 294.351 0.808 20 10 CCCDHM COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC001598824542 996367565 /nfs/dbraw/zinc/36/75/65/996367565.db2.gz ARZTWAHXIKTEBQ-WDEREUQCSA-N -1 3 297.282 0.837 20 10 CCCDHM COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC001598824542 996367566 /nfs/dbraw/zinc/36/75/66/996367566.db2.gz ARZTWAHXIKTEBQ-WDEREUQCSA-N -1 3 297.282 0.837 20 10 CCCDHM C[C@H](CN1CCN(C)CC1)NC(=O)c1cccc(O)c1[O-] ZINC000188434923 351595132 /nfs/dbraw/zinc/59/51/32/351595132.db2.gz FRIHBECAUOFTEI-LLVKDONJSA-N -1 3 293.367 0.464 20 10 CCCDHM O=C(NC[C@@H](O)C(F)(F)F)c1cccc(O)c1[O-] ZINC000230003853 352099737 /nfs/dbraw/zinc/09/97/37/352099737.db2.gz GCNQQPLRQPXLPV-SSDOTTSWSA-N -1 3 265.187 0.751 20 10 CCCDHM COCCN1CC[C@H](NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272893438 353104013 /nfs/dbraw/zinc/10/40/13/353104013.db2.gz ZPLYLXUBUYJHPP-NSHDSACASA-N -1 3 294.351 0.857 20 10 CCCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])[C@@H]1CCNC1=O ZINC000282120377 353395128 /nfs/dbraw/zinc/39/51/28/353395128.db2.gz HNDIYUDMIBXDSI-SNVBAGLBSA-N -1 3 278.308 0.757 20 10 CCCDHM O=C1CO[C@@H]2CCN(Cc3cccc(F)c3[O-])C[C@H]2N1 ZINC000366769495 389309865 /nfs/dbraw/zinc/30/98/65/389309865.db2.gz HWHMWNAWJSQDEZ-VXGBXAGGSA-N -1 3 280.299 0.621 20 10 CCCDHM Cc1ccc(C(=O)N2CCNC(=O)[C@H]2C)c([O-])c1O ZINC000179474817 389657330 /nfs/dbraw/zinc/65/73/30/389657330.db2.gz QYJSVMITBPFORE-MRVPVSSYSA-N -1 3 264.281 0.367 20 10 CCCDHM Cc1ccc(C(=O)NCC(=O)NC(C)C)c([O-])c1O ZINC000181783627 389693871 /nfs/dbraw/zinc/69/38/71/389693871.db2.gz QYSJBRUPPNBGRA-UHFFFAOYSA-N -1 3 266.297 0.661 20 10 CCCDHM Cc1ccc(C(=O)N2CCCC[C@@H]2C(N)=O)c([O-])c1O ZINC000181948039 389696377 /nfs/dbraw/zinc/69/63/77/389696377.db2.gz NLOTVNRMCLVQNJ-SNVBAGLBSA-N -1 3 278.308 0.886 20 10 CCCDHM CN(C)C(=O)NCCN(C)C(=O)c1cc([O-])cs1 ZINC000777530349 581118831 /nfs/dbraw/zinc/11/88/31/581118831.db2.gz DZLWNZRPYLNEJH-UHFFFAOYSA-N -1 3 271.342 0.797 20 10 CCCDHM Cn1cc([C@H](O)CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000790783911 581198412 /nfs/dbraw/zinc/19/84/12/581198412.db2.gz CHIIUWMTBIBVFE-LLVKDONJSA-N -1 3 277.280 0.295 20 10 CCCDHM Cc1ccc(C(=O)N2C[C@H](C)[C@H](O)C2)c([O-])c1O ZINC000781009261 581256087 /nfs/dbraw/zinc/25/60/87/581256087.db2.gz VYBXMDKZSOMEQH-WCBMZHEXSA-N -1 3 251.282 0.859 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000752820057 581556924 /nfs/dbraw/zinc/55/69/24/581556924.db2.gz SIGNMUZABFSIDP-SSDOTTSWSA-N -1 3 267.310 0.303 20 10 CCCDHM NS(=O)(=O)[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000785984471 581597657 /nfs/dbraw/zinc/59/76/57/581597657.db2.gz FPMYZIKLTGRPND-QMMMGPOBSA-N -1 3 290.772 0.908 20 10 CCCDHM COc1cccc([O-])c1CN1CCN(C[C@@H](C)O)CC1 ZINC000769327863 581684184 /nfs/dbraw/zinc/68/41/84/581684184.db2.gz NFWYKYJHUKCVFB-GFCCVEGCSA-N -1 3 280.368 0.899 20 10 CCCDHM CCS(=O)(=O)NCCCNC(=O)c1cc([O-])cs1 ZINC000732279857 581815935 /nfs/dbraw/zinc/81/59/35/581815935.db2.gz QRYWNAXNBYLCQD-UHFFFAOYSA-N -1 3 292.382 0.513 20 10 CCCDHM O=C(OCCN1C(=O)CCC1=O)c1cc([O-])cs1 ZINC000732352733 581820504 /nfs/dbraw/zinc/82/05/04/581820504.db2.gz DMEJUYLQJRLLDN-UHFFFAOYSA-N -1 3 269.278 0.760 20 10 CCCDHM O=C(CNC(=O)c1cc([O-])cs1)N1CCOCC1 ZINC000776500332 582074925 /nfs/dbraw/zinc/07/49/25/582074925.db2.gz XUNGBUIGQNSMHW-UHFFFAOYSA-N -1 3 270.310 0.042 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c([O-])c1O ZINC000751533222 582085001 /nfs/dbraw/zinc/08/50/01/582085001.db2.gz LMASYTNKZWAANQ-VIFPVBQESA-N -1 3 299.348 0.571 20 10 CCCDHM C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H]1C(=O)[O-] ZINC000833629066 604545059 /nfs/dbraw/zinc/54/50/59/604545059.db2.gz DSBIAMKBWNJDCA-YDEJPDAXSA-N -1 3 293.319 0.971 20 10 CCCDHM C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H]1C(=O)[O-] ZINC000833629066 604545062 /nfs/dbraw/zinc/54/50/62/604545062.db2.gz DSBIAMKBWNJDCA-YDEJPDAXSA-N -1 3 293.319 0.971 20 10 CCCDHM CCN1C[C@H](NC(=O)NCc2c([O-])cccc2F)CC1=O ZINC000922725006 615415345 /nfs/dbraw/zinc/41/53/45/615415345.db2.gz WFJVAYPTIYECIW-SECBINFHSA-N -1 3 295.314 0.951 20 10 CCCDHM CC[C@H]1COCCN1CCNC(=O)c1cccc(O)c1[O-] ZINC000874706838 615928838 /nfs/dbraw/zinc/92/88/38/615928838.db2.gz YZMWLGUXIPUKBT-NSHDSACASA-N -1 3 294.351 0.938 20 10 CCCDHM CC[S@](=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000126555953 616016533 /nfs/dbraw/zinc/01/65/33/616016533.db2.gz JTWADDSWXKQTCE-QGZVFWFLSA-N -1 3 257.311 0.596 20 10 CCCDHM CN1CCn2nc(NC(=O)c3cccc(O)c3[O-])cc2C1 ZINC000829428383 616468773 /nfs/dbraw/zinc/46/87/73/616468773.db2.gz NAXJJVYLMIPWNI-UHFFFAOYSA-N -1 3 288.307 0.992 20 10 CCCDHM CN=[S@](C)(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000912788902 616532026 /nfs/dbraw/zinc/53/20/26/616532026.db2.gz ZZCOVQYLSNYUCF-GOSISDBHSA-N -1 3 272.326 0.555 20 10 CCCDHM Cc1nnc(CC(=O)NCc2c([O-])cccc2F)[nH]1 ZINC000928705836 632547197 /nfs/dbraw/zinc/54/71/97/632547197.db2.gz LQQCAVDKPOWTCR-UHFFFAOYSA-N -1 3 264.260 0.817 20 10 CCCDHM CC1(C)OC[C@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000229413301 637114046 /nfs/dbraw/zinc/11/40/46/637114046.db2.gz SKLQJJOZBCFSLI-QMMMGPOBSA-N -1 3 267.281 0.979 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1COCCO1 ZINC000914284860 637581772 /nfs/dbraw/zinc/58/17/72/637581772.db2.gz KAOUMWBIWKDWNT-SECBINFHSA-N -1 3 284.287 0.746 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000922293916 639636123 /nfs/dbraw/zinc/63/61/23/639636123.db2.gz RKYBSVRIHAYIAO-GDGBQDQQSA-N -1 3 266.272 0.975 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Cn2ccnn2)C1 ZINC000855238566 644297470 /nfs/dbraw/zinc/29/74/70/644297470.db2.gz SBZMYIINAJKQNF-SNVBAGLBSA-N -1 3 288.307 0.852 20 10 CCCDHM O=C(NC1CCS(=O)(=O)CC1)c1cccc(O)c1[O-] ZINC000126267742 646710365 /nfs/dbraw/zinc/71/03/65/646710365.db2.gz SDZALNYSWHUDAA-UHFFFAOYSA-N -1 3 285.321 0.405 20 10 CCCDHM C[S@](=O)CCCNC(=O)c1cccc(O)c1[O-] ZINC000126551256 646818546 /nfs/dbraw/zinc/81/85/46/646818546.db2.gz JJLYPJKLLAPTOH-QGZVFWFLSA-N -1 3 257.311 0.596 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCC(=O)N1 ZINC000928709427 648659644 /nfs/dbraw/zinc/65/96/44/648659644.db2.gz IGYGVOMHMHLFEU-VIFPVBQESA-N -1 3 252.245 0.426 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](O)[C@@H](CO)C2)c1[O-] ZINC000396850723 790552222 /nfs/dbraw/zinc/55/22/22/790552222.db2.gz KRWYKEYWDUWOJO-RISCZKNCSA-N -1 3 297.326 0.909 20 10 CCCDHM NC(=O)[C@]12C[C@H]1CCN2Cc1c([O-])cccc1F ZINC001277484148 805724105 /nfs/dbraw/zinc/72/41/05/805724105.db2.gz KPFATRUCTRRLTD-OQPBUACISA-N -1 3 250.273 0.981 20 10 CCCDHM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1O ZINC001231447160 805803310 /nfs/dbraw/zinc/80/33/10/805803310.db2.gz OPHXLIGTFGLOMK-QPUJVOFHSA-N -1 3 251.282 0.903 20 10 CCCDHM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1O ZINC001231447160 805803324 /nfs/dbraw/zinc/80/33/24/805803324.db2.gz OPHXLIGTFGLOMK-QPUJVOFHSA-N -1 3 251.282 0.903 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001231447291 805803803 /nfs/dbraw/zinc/80/38/03/805803803.db2.gz RDETYGHYSFXMGF-VXGBXAGGSA-N -1 3 281.308 0.266 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001231447291 805803813 /nfs/dbraw/zinc/80/38/13/805803813.db2.gz RDETYGHYSFXMGF-VXGBXAGGSA-N -1 3 281.308 0.266 20 10 CCCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC001139685659 799829486 /nfs/dbraw/zinc/82/94/86/799829486.db2.gz RWNRXBSUSLOKKM-PRHODGIISA-N -1 3 273.279 0.846 20 10 CCCDHM O=C(CNCc1cc(F)c(F)cc1[O-])N1CCCO1 ZINC001207773088 803447659 /nfs/dbraw/zinc/44/76/59/803447659.db2.gz AJULURNJHNMIAN-UHFFFAOYSA-N -1 3 272.251 0.924 20 10 CCCDHM NC(=O)[C@]12C[C@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001269560041 813421246 /nfs/dbraw/zinc/42/12/46/813421246.db2.gz LWXSEVDDRCXMFS-UHLUBPPHSA-N -1 3 262.265 0.188 20 10 CCCDHM CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)c([O-])c(O)c1 ZINC001270069810 813613742 /nfs/dbraw/zinc/61/37/42/813613742.db2.gz QYYWOKVEIVTXLP-AOOOYVTPSA-N -1 3 278.308 0.722 20 10 CCCDHM CC(C)OC(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000312255637 816359822 /nfs/dbraw/zinc/35/98/22/816359822.db2.gz NHJKVNXFZTZUSW-UHFFFAOYSA-N -1 3 253.254 0.779 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@H](O)[C@H](F)C1 ZINC001148582896 840850258 /nfs/dbraw/zinc/85/02/58/840850258.db2.gz PSGOFVSSONTVPS-HTQZYQBOSA-N -1 3 271.244 0.348 20 10 CCCDHM CCOC(=O)CC(=N)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148585880 840852977 /nfs/dbraw/zinc/85/29/77/840852977.db2.gz CGXZRTCLMWTLKC-UHFFFAOYSA-N -1 3 282.252 0.464 20 10 CCCDHM CCC(=O)N1CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148590729 840855225 /nfs/dbraw/zinc/85/52/25/840855225.db2.gz NSACGZXFZCPEJR-VIFPVBQESA-N -1 3 294.307 0.544 20 10 CCCDHM CCOC(=O)[C@@H](C)CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590735 840855959 /nfs/dbraw/zinc/85/59/59/840855959.db2.gz NXRTWJJZJUVELE-ZETCQYMHSA-N -1 3 283.280 0.732 20 10 CCCDHM Cc1noc(C2(NC(=O)c3cc(O)c([O-])c(O)c3)CC2)n1 ZINC001148590235 840857386 /nfs/dbraw/zinc/85/73/86/840857386.db2.gz FLICAGMWKHFOJJ-UHFFFAOYSA-N -1 3 291.263 0.914 20 10 CCCDHM NC(=O)N[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001180120283 843107203 /nfs/dbraw/zinc/10/72/03/843107203.db2.gz GPXUHDKSOLHGPW-MRVPVSSYSA-N -1 3 271.267 0.913 20 10 CCCDHM CN1CCO[C@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001276055770 848910864 /nfs/dbraw/zinc/91/08/64/848910864.db2.gz OKLSNYUUPYCBNG-JSGCOSHPSA-N -1 3 292.335 0.605 20 10 CCCDHM O=S1(=O)CCN(Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000112703354 349788503 /nfs/dbraw/zinc/78/85/03/349788503.db2.gz WSQDMVKLBKHRJV-UHFFFAOYSA-N -1 3 285.321 0.351 20 10 CCCDHM Cc1nc2n(n1)C[C@H](NC(=O)c1cccc(O)c1[O-])CC2 ZINC000193008884 351807315 /nfs/dbraw/zinc/80/73/15/351807315.db2.gz RZWPNGBIKJTCOK-SECBINFHSA-N -1 3 288.307 0.743 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](NC(N)=O)C2)c1[O-] ZINC000270742610 352976958 /nfs/dbraw/zinc/97/69/58/352976958.db2.gz NHQWEOZKPJATLN-LLVKDONJSA-N -1 3 295.314 0.977 20 10 CCCDHM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000273028104 353109866 /nfs/dbraw/zinc/10/98/66/353109866.db2.gz SIWBLMOEULEZOF-SCZZXKLOSA-N -1 3 295.291 0.155 20 10 CCCDHM Cc1ccc(C(=O)N2CC(n3ccnn3)C2)c([O-])c1O ZINC000371670375 389435495 /nfs/dbraw/zinc/43/54/95/389435495.db2.gz LRRFEKJQBFPOHS-UHFFFAOYSA-N -1 3 274.280 0.695 20 10 CCCDHM Cc1ccc(C(=O)N(C)CCN2CCOCC2)c([O-])c1O ZINC000177680421 389589805 /nfs/dbraw/zinc/58/98/05/389589805.db2.gz XCUNGJYEQQSELX-UHFFFAOYSA-N -1 3 294.351 0.810 20 10 CCCDHM CNC(=O)[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000182441658 389709387 /nfs/dbraw/zinc/70/93/87/389709387.db2.gz VVWPMPUCKXMTTG-LBPRGKRZSA-N -1 3 250.298 0.339 20 10 CCCDHM CS(=O)(=O)N[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000180176126 389667241 /nfs/dbraw/zinc/66/72/41/389667241.db2.gz ZXRMWUZBUZTETI-LLVKDONJSA-N -1 3 288.344 0.655 20 10 CCCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](C(N)=O)O1 ZINC000180276288 389668331 /nfs/dbraw/zinc/66/83/31/389668331.db2.gz PGFWDMJJEZRLGU-PELKAZGASA-N -1 3 268.288 0.606 20 10 CCCDHM Cc1ccc(C(=O)N(CC(N)=O)CC(C)C)c([O-])c1O ZINC000181855878 389694577 /nfs/dbraw/zinc/69/45/77/389694577.db2.gz ZYOYLRLSNPJEIG-UHFFFAOYSA-N -1 3 280.324 0.990 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(F)F)c1 ZINC000176314102 261648124 /nfs/dbraw/zinc/64/81/24/261648124.db2.gz XUAYCTMEKMAQKC-UHFFFAOYSA-N -1 3 294.279 0.759 20 10 CCCDHM CC(C)C(=O)NCCNC(=O)c1cccc(O)c1[O-] ZINC000187075320 262378214 /nfs/dbraw/zinc/37/82/14/262378214.db2.gz WIORYJFMVQBJFQ-UHFFFAOYSA-N -1 3 266.297 0.600 20 10 CCCDHM CNC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187085406 327943157 /nfs/dbraw/zinc/94/31/57/327943157.db2.gz PMNYVXSFCXJKHW-VIFPVBQESA-N -1 3 278.308 0.696 20 10 CCCDHM COc1c([O-])c(CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278294462 521868927 /nfs/dbraw/zinc/86/89/27/521868927.db2.gz VEIUKKFVNYHMKQ-SECBINFHSA-N -1 3 268.269 0.876 20 10 CCCDHM CN1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126236551 523805378 /nfs/dbraw/zinc/80/53/78/523805378.db2.gz PFLXNVKMSPPLIF-UHFFFAOYSA-N -1 3 250.298 0.876 20 10 CCCDHM Cc1cc(Cl)cc(CN2C[C@@H](O)[C@H](O)C2)c1[O-] ZINC000278387039 524863928 /nfs/dbraw/zinc/86/39/28/524863928.db2.gz MLHORJVSLGQSOQ-GHMZBOCLSA-N -1 3 257.717 0.891 20 10 CCCDHM C[C@H](O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126522283 525835694 /nfs/dbraw/zinc/83/56/94/525835694.db2.gz ZORAMZQLPGEYRG-DTWKUNHWSA-N -1 3 251.282 0.941 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000791027529 581204483 /nfs/dbraw/zinc/20/44/83/581204483.db2.gz ALGNFNPNMKSOBW-GFCCVEGCSA-N -1 3 266.322 0.806 20 10 CCCDHM CS(=O)(=O)N1CC(CNC(=O)c2cc([O-])cs2)C1 ZINC000779505764 581188260 /nfs/dbraw/zinc/18/82/60/581188260.db2.gz RCLOVHNUMROMQP-UHFFFAOYSA-N -1 3 290.366 0.075 20 10 CCCDHM O=C(NCCNc1cnccn1)c1cccc(O)c1[O-] ZINC000790576535 581191033 /nfs/dbraw/zinc/19/10/33/581191033.db2.gz KDWFISCOIUNGGS-UHFFFAOYSA-N -1 3 274.280 0.730 20 10 CCCDHM O=C(NC[C@@H](O)c1ccncc1)c1cccc(O)c1[O-] ZINC000790901751 581202019 /nfs/dbraw/zinc/20/20/19/581202019.db2.gz OUFXNGLNZNXTCT-GFCCVEGCSA-N -1 3 274.276 0.956 20 10 CCCDHM Cc1ccc(C(=O)NCCN2CCOC[C@H]2C)c([O-])c1O ZINC000780929846 581249819 /nfs/dbraw/zinc/24/98/19/581249819.db2.gz FHPDSZRHRLHLEU-LLVKDONJSA-N -1 3 294.351 0.857 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c([O-])c1O ZINC000780982860 581254120 /nfs/dbraw/zinc/25/41/20/581254120.db2.gz CFLZGQZCEHSZDN-PWSUYJOCSA-N -1 3 294.351 0.855 20 10 CCCDHM C[C@@H](OC(=O)c1cc([O-])cs1)c1nnnn1C ZINC000787704250 581475802 /nfs/dbraw/zinc/47/58/02/581475802.db2.gz QLPJWXUSKKXGIK-RXMQYKEDSA-N -1 3 254.271 0.895 20 10 CCCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC(=O)NC1CC1 ZINC000731911137 581789693 /nfs/dbraw/zinc/78/96/93/581789693.db2.gz ZYMYRQBDVNEBIP-LURJTMIESA-N -1 3 298.320 0.987 20 10 CCCDHM COCC(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732272250 581813219 /nfs/dbraw/zinc/81/32/19/581813219.db2.gz ANCGBVAETMPGGQ-UHFFFAOYSA-N -1 3 284.337 0.385 20 10 CCCDHM CN(C)C(=O)Cn1ccc(NC(=O)c2cc([O-])cs2)n1 ZINC000732282505 581816294 /nfs/dbraw/zinc/81/62/94/581816294.db2.gz ORCODPSKYJQOEI-UHFFFAOYSA-N -1 3 294.336 0.991 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCn2ncnc2C1 ZINC000771745585 581819011 /nfs/dbraw/zinc/81/90/11/581819011.db2.gz WVUCUJGJKCJPRH-UHFFFAOYSA-N -1 3 250.283 0.701 20 10 CCCDHM C[C@H]1CN(C(=O)COC(=O)c2cc([O-])cs2)CCO1 ZINC000732354950 581821109 /nfs/dbraw/zinc/82/11/09/581821109.db2.gz XNUSVKQIDONAEH-QMMMGPOBSA-N -1 3 285.321 0.858 20 10 CCCDHM CNC(=O)[C@@H](NC(=O)c1cc([O-])cs1)C(C)C ZINC000772561054 581840350 /nfs/dbraw/zinc/84/03/50/581840350.db2.gz BGWNEOPUKPXZIF-VIFPVBQESA-N -1 3 256.327 0.954 20 10 CCCDHM C[N@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1[O-] ZINC000737411943 581955367 /nfs/dbraw/zinc/95/53/67/581955367.db2.gz FEZVLHHESAWKQE-UHFFFAOYSA-N -1 3 266.297 0.415 20 10 CCCDHM C[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1[O-] ZINC000737411943 581955368 /nfs/dbraw/zinc/95/53/68/581955368.db2.gz FEZVLHHESAWKQE-UHFFFAOYSA-N -1 3 266.297 0.415 20 10 CCCDHM O=C([O-])N[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000834189699 605500449 /nfs/dbraw/zinc/50/04/49/605500449.db2.gz OGYYNSGSAZSHST-BXKDBHETSA-N -1 3 294.307 0.660 20 10 CCCDHM COc1ccc(N2CCN(CC(=O)[O-])CC2)c(OC)c1 ZINC000007275290 617267716 /nfs/dbraw/zinc/26/77/16/617267716.db2.gz HQQJDKBJCLILPG-UHFFFAOYSA-N -1 3 280.324 0.910 20 10 CCCDHM CC[S@@](=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000126555763 616005248 /nfs/dbraw/zinc/00/52/48/616005248.db2.gz JTWADDSWXKQTCE-KRWDZBQOSA-N -1 3 257.311 0.596 20 10 CCCDHM CN1CCN(C(=O)CNCc2cc(F)cc(F)c2[O-])CC1 ZINC000882934995 616223502 /nfs/dbraw/zinc/22/35/02/616223502.db2.gz AZKQHELEJAINLC-UHFFFAOYSA-N -1 3 299.321 0.534 20 10 CCCDHM COCCNC(=O)C1(NCc2cccc(F)c2[O-])CC1 ZINC000839193073 616485171 /nfs/dbraw/zinc/48/51/71/616485171.db2.gz OFSDRRXDFSEGHN-UHFFFAOYSA-N -1 3 282.315 0.916 20 10 CCCDHM [O-]c1c(F)cc(F)cc1CN1CCN(CCO)CC1 ZINC000893864734 631475781 /nfs/dbraw/zinc/47/57/81/631475781.db2.gz ZIPJPMVLKOHXJS-UHFFFAOYSA-N -1 3 272.295 0.780 20 10 CCCDHM O=C(NCCCc1c[n-][nH]c1=O)C1=CC(=O)CS1 ZINC000898732630 633655589 /nfs/dbraw/zinc/65/55/89/633655589.db2.gz MJEFUWAFNDLNCV-ZETCQYMHSA-N -1 3 267.310 0.696 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CNC(=O)C1 ZINC000922867165 639806539 /nfs/dbraw/zinc/80/65/39/639806539.db2.gz QUXHGWNBNIBUDT-QMMMGPOBSA-N -1 3 281.287 0.467 20 10 CCCDHM NC(=O)Cn1cc(CNCc2cc(Cl)ccc2[O-])nn1 ZINC000846056753 643376591 /nfs/dbraw/zinc/37/65/91/643376591.db2.gz ZKESCXFUWCCAGP-UHFFFAOYSA-N -1 3 295.730 0.412 20 10 CCCDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])[C@H]1CCOC1 ZINC000855210281 644294567 /nfs/dbraw/zinc/29/45/67/644294567.db2.gz MFXBGIWOMXSIJK-CABZTGNLSA-N -1 3 281.308 0.879 20 10 CCCDHM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1cccc(O)c1[O-] ZINC000855413013 644314632 /nfs/dbraw/zinc/31/46/32/644314632.db2.gz YXEPXXVPNLXWAU-MNOVXSKESA-N -1 3 294.351 0.937 20 10 CCCDHM NC(=O)[C@H]1CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928704924 648658215 /nfs/dbraw/zinc/65/82/15/648658215.db2.gz BECBBNACADPZBA-YUMQZZPRSA-N -1 3 266.272 0.659 20 10 CCCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)nnn1C ZINC000928706565 648659265 /nfs/dbraw/zinc/65/92/65/648659265.db2.gz XJMMRWABVSBOKQ-UHFFFAOYSA-N -1 3 264.260 0.898 20 10 CCCDHM CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453550 805806261 /nfs/dbraw/zinc/80/62/61/805806261.db2.gz IKWRRXRYUWHHHN-LBPRGKRZSA-N -1 3 278.308 0.801 20 10 CCCDHM CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453550 805806268 /nfs/dbraw/zinc/80/62/68/805806268.db2.gz IKWRRXRYUWHHHN-LBPRGKRZSA-N -1 3 278.308 0.801 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](O)[C@H](CO)C1 ZINC001233332615 806043233 /nfs/dbraw/zinc/04/32/33/806043233.db2.gz RJBIQTDEFMQAOZ-GZMMTYOYSA-N -1 3 273.279 0.846 20 10 CCCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](O)[C@H](CO)C1 ZINC001139685660 799829253 /nfs/dbraw/zinc/82/92/53/799829253.db2.gz RWNRXBSUSLOKKM-QPUJVOFHSA-N -1 3 273.279 0.846 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC001142508657 800126177 /nfs/dbraw/zinc/12/61/77/800126177.db2.gz GWBGDWAYISNMHB-BXKDBHETSA-N -1 3 273.279 0.846 20 10 CCCDHM NC(=O)c1nccnc1C(=O)NCc1c([O-])cccc1F ZINC001156170068 801120257 /nfs/dbraw/zinc/12/02/57/801120257.db2.gz FCPCWQJZZBHZMY-UHFFFAOYSA-N -1 3 290.254 0.350 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)c1ccc2nnnn2c1 ZINC001156170485 801120759 /nfs/dbraw/zinc/12/07/59/801120759.db2.gz OABZSVMOQWKFJA-UHFFFAOYSA-N -1 3 287.254 0.899 20 10 CCCDHM CN(C[C@@H](O)C1CC1)C(=O)c1cccc(O)c1[O-] ZINC000690336425 815495611 /nfs/dbraw/zinc/49/56/11/815495611.db2.gz WENUWRYWEIZQPQ-LLVKDONJSA-N -1 3 251.282 0.941 20 10 CCCDHM CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])[nH]c(=O)c1 ZINC001269919898 813557649 /nfs/dbraw/zinc/55/76/49/813557649.db2.gz VWCXYUZRIWPTIN-AOOOYVTPSA-N -1 3 263.297 0.411 20 10 CCCDHM CN1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(O)c([O-])c(O)c1 ZINC001270070011 813612598 /nfs/dbraw/zinc/61/25/98/813612598.db2.gz SEOTWGQLRZOBPM-DTORHVGOSA-N -1 3 264.281 0.332 20 10 CCCDHM CN=c1c(N)cc(Cl)nn1C(=O)c1cccc(O)c1[O-] ZINC001148212490 840762825 /nfs/dbraw/zinc/76/28/25/840762825.db2.gz ZMSZATLYURTASI-UHFFFAOYSA-N -1 3 294.698 0.749 20 10 CCCDHM NC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])c[nH]1 ZINC001137456590 853803381 /nfs/dbraw/zinc/80/33/81/853803381.db2.gz ULROPONFJQRLRG-UHFFFAOYSA-N -1 3 261.237 0.777 20 10 CCCDHM COC(=O)[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC001292516630 906254182 /nfs/dbraw/zinc/25/41/82/906254182.db2.gz TWANXQWTZURTML-SSDOTTSWSA-N -1 3 253.254 0.637 20 10 CCCDHM COC(=O)[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC001292516640 906254344 /nfs/dbraw/zinc/25/43/44/906254344.db2.gz TWANXQWTZURTML-ZETCQYMHSA-N -1 3 253.254 0.637 20 10 CCCDHM Cn1cc(O)c(=O)cc1CNC(=O)c1cccc(O)c1[O-] ZINC001300049976 925596093 /nfs/dbraw/zinc/59/60/93/925596093.db2.gz UBHYRXBYNNLFKE-UHFFFAOYSA-N -1 3 290.275 0.432 20 10 CCCDHM NC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC001444162514 929803764 /nfs/dbraw/zinc/80/37/64/929803764.db2.gz CDHVYRLNDVNMHY-UHFFFAOYSA-N -1 3 264.281 0.626 20 10 CCCDHM CNC(=O)CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272694865 353085967 /nfs/dbraw/zinc/08/59/67/353085967.db2.gz WXFYRIAEGWIACM-UHFFFAOYSA-N -1 3 252.270 0.224 20 10 CCCDHM COc1c([O-])c(CN2C[C@H]3[C@H](CO)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367776646 357278531 /nfs/dbraw/zinc/27/85/31/357278531.db2.gz FRNJEZVDAFUSOU-URLYPYJESA-N -1 3 294.307 0.979 20 10 CCCDHM COC(=O)[C@H]1COCCN1Cc1ccccc1[O-] ZINC000272255027 291917777 /nfs/dbraw/zinc/91/77/77/291917777.db2.gz JAICVRMCEPEOBM-LLVKDONJSA-N -1 3 251.282 0.766 20 10 CCCDHM CN(Cc1ccccc1[O-])Cc1nc(N)nc(N)n1 ZINC000109770711 389100463 /nfs/dbraw/zinc/10/04/63/389100463.db2.gz PIAZRXNAPHRLPR-UHFFFAOYSA-N -1 3 260.301 0.374 20 10 CCCDHM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000195151902 389116804 /nfs/dbraw/zinc/11/68/04/389116804.db2.gz DHUBYESTRKCNKM-GMSGAONNSA-N -1 3 264.281 0.352 20 10 CCCDHM CS[C@H](CO)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000230107726 389157362 /nfs/dbraw/zinc/15/73/62/389157362.db2.gz UESHYIYTFAXMNO-GMSGAONNSA-N -1 3 271.338 0.940 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CCC(=O)NC2)c([O-])c1O ZINC000267540991 389372881 /nfs/dbraw/zinc/37/28/81/389372881.db2.gz ADLAQCKPYCXZDM-QMMMGPOBSA-N -1 3 264.281 0.415 20 10 CCCDHM CNC(=O)[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000182441675 389709317 /nfs/dbraw/zinc/70/93/17/389709317.db2.gz VVWPMPUCKXMTTG-GFCCVEGCSA-N -1 3 250.298 0.339 20 10 CCCDHM C[C@@H](O)C(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180209841 389667150 /nfs/dbraw/zinc/66/71/50/389667150.db2.gz FEFUSPZHJSSQQQ-SNVBAGLBSA-N -1 3 282.315 0.556 20 10 CCCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C(N)=O)O1 ZINC000180276273 389668525 /nfs/dbraw/zinc/66/85/25/389668525.db2.gz PGFWDMJJEZRLGU-PRHODGIISA-N -1 3 268.288 0.606 20 10 CCCDHM COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000179552751 261795006 /nfs/dbraw/zinc/79/50/06/261795006.db2.gz BZDVPSKVRLIALS-LLVKDONJSA-N -1 3 278.308 0.256 20 10 CCCDHM O=C(N[C@H]1CCCNC1=O)c1cccc(O)c1[O-] ZINC000126373966 264218638 /nfs/dbraw/zinc/21/86/38/264218638.db2.gz RENDLVDWBRXCAM-QMMMGPOBSA-N -1 3 250.254 0.106 20 10 CCCDHM CS[C@H](CO)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000230107735 264499624 /nfs/dbraw/zinc/49/96/24/264499624.db2.gz UESHYIYTFAXMNO-OIBJUYFYSA-N -1 3 271.338 0.940 20 10 CCCDHM O=C1CO[C@@H]2CCN(Cc3cc(F)ccc3[O-])C[C@H]2N1 ZINC000377223618 268057669 /nfs/dbraw/zinc/05/76/69/268057669.db2.gz KVICDBPLIGNOML-DGCLKSJQSA-N -1 3 280.299 0.621 20 10 CCCDHM C[C@H]1CS(=O)(=O)CCN1Cc1cc2c(cc1[O-])OCO2 ZINC000218867472 333137720 /nfs/dbraw/zinc/13/77/20/333137720.db2.gz UCWZAIGBKISTAC-VIFPVBQESA-N -1 3 299.348 0.740 20 10 CCCDHM COCCN1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000279287287 523822620 /nfs/dbraw/zinc/82/26/20/523822620.db2.gz LYVPRYSPNIZFKN-UHFFFAOYSA-N -1 3 294.351 0.892 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](OCCO)C1 ZINC000275411333 526772175 /nfs/dbraw/zinc/77/21/75/526772175.db2.gz HAAGTVKUPNOINF-SNVBAGLBSA-N -1 3 281.308 0.711 20 10 CCCDHM O=C(N[C@H]1CC[S@](=O)C1)c1cccc(O)c1[O-] ZINC000790808132 581199321 /nfs/dbraw/zinc/19/93/21/581199321.db2.gz OIFRQCBEYODNOW-SKLCBMLGSA-N -1 3 255.295 0.349 20 10 CCCDHM O=C(NCCc1nnc2n1CCC2)c1cccc(O)c1[O-] ZINC000790090790 581176676 /nfs/dbraw/zinc/17/66/76/581176676.db2.gz RNCXROWBDRFRLU-UHFFFAOYSA-N -1 3 288.307 0.608 20 10 CCCDHM C[C@@H](CCS(C)(=O)=O)NC(=O)c1cccc(O)c1[O-] ZINC000790895260 581201620 /nfs/dbraw/zinc/20/16/20/581201620.db2.gz IRPSCEONYOGNSF-QMMMGPOBSA-N -1 3 287.337 0.651 20 10 CCCDHM CC1(C)OCC(NC(=O)c2cccc(O)c2[O-])CO1 ZINC000790931221 581202558 /nfs/dbraw/zinc/20/25/58/581202558.db2.gz FJMLXRRXWBFNGG-UHFFFAOYSA-N -1 3 267.281 0.979 20 10 CCCDHM CNC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780902697 581248499 /nfs/dbraw/zinc/24/84/99/581248499.db2.gz FIDWPKIEHCVDIO-SSDOTTSWSA-N -1 3 252.270 0.271 20 10 CCCDHM COCCOC1CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000780954565 581252151 /nfs/dbraw/zinc/25/21/51/581252151.db2.gz GPXJKISBYVRWKL-UHFFFAOYSA-N -1 3 281.308 0.894 20 10 CCCDHM COC[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000780957597 581252627 /nfs/dbraw/zinc/25/26/27/581252627.db2.gz XKXFWQMANXQLDD-ZDUSSCGKSA-N -1 3 269.297 0.533 20 10 CCCDHM [O-]c1cccc(Cl)c1CN1C[C@H](O)C[C@H](O)C1 ZINC000769562713 581695559 /nfs/dbraw/zinc/69/55/59/581695559.db2.gz DMHPFGIDQIJUEI-DTORHVGOSA-N -1 3 257.717 0.973 20 10 CCCDHM O=C(NCc1nnc2n1CCC2)c1cc([O-])cs1 ZINC000732264768 581811442 /nfs/dbraw/zinc/81/14/42/581811442.db2.gz WWCJMMRHWIOMFX-UHFFFAOYSA-N -1 3 264.310 0.921 20 10 CCCDHM CC(C)(O)CN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732289241 581817857 /nfs/dbraw/zinc/81/78/57/581817857.db2.gz NDXALQYHTDAHKF-UHFFFAOYSA-N -1 3 284.381 0.982 20 10 CCCDHM O=C(OCCN1CCCS1(=O)=O)c1cc([O-])cs1 ZINC000773155457 581910740 /nfs/dbraw/zinc/91/07/40/581910740.db2.gz BCUFDZOINJOKAV-UHFFFAOYSA-N -1 3 291.350 0.646 20 10 CCCDHM CCNC(=O)CN(C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441291 582106698 /nfs/dbraw/zinc/10/66/98/582106698.db2.gz YDWUXEPKWVGFQY-GFCCVEGCSA-N -1 3 280.324 0.386 20 10 CCCDHM CCOCCS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452420 615297883 /nfs/dbraw/zinc/29/78/83/615297883.db2.gz OOPDJJBYHYFNOF-UHFFFAOYSA-N -1 3 277.317 0.987 20 10 CCCDHM CN(Cc1cc(F)ccc1[O-])C1CS(=O)(=O)C1 ZINC000895398282 616165105 /nfs/dbraw/zinc/16/51/05/616165105.db2.gz OZRZZOLVZWFVCZ-UHFFFAOYSA-N -1 3 259.302 0.760 20 10 CCCDHM CN1CC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000900666217 616298775 /nfs/dbraw/zinc/29/87/75/616298775.db2.gz FQPIDLHRAYBPRH-SSDOTTSWSA-N -1 3 254.261 0.671 20 10 CCCDHM COC[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000886864401 616802019 /nfs/dbraw/zinc/80/20/19/616802019.db2.gz LLAUJWAQQHTDCN-VIFPVBQESA-N -1 3 267.281 0.585 20 10 CCCDHM COC[C@@H]1CCCN1NC(=O)c1cccc(O)c1[O-] ZINC000862594242 616948452 /nfs/dbraw/zinc/94/84/52/616948452.db2.gz YBKPFOFWNQZFFY-VIFPVBQESA-N -1 3 266.297 0.853 20 10 CCCDHM C[C@H](N[C@H]1CNOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925868234 631417270 /nfs/dbraw/zinc/41/72/70/631417270.db2.gz BSHPVTTWIMAHNB-YUMQZZPRSA-N -1 3 253.258 0.854 20 10 CCCDHM NC(=O)N1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928709867 632546607 /nfs/dbraw/zinc/54/66/07/632546607.db2.gz MRGLCRSYPQLMFW-VIFPVBQESA-N -1 3 295.314 0.938 20 10 CCCDHM O=C(NCCn1cncn1)NCc1c([O-])cccc1F ZINC000916136013 637890331 /nfs/dbraw/zinc/89/03/31/637890331.db2.gz OVJNAQKWIFEGBY-UHFFFAOYSA-N -1 3 279.275 0.622 20 10 CCCDHM O=C(C[C@H]1CC(=O)NC1=O)NCc1c([O-])cccc1F ZINC000830179966 642239022 /nfs/dbraw/zinc/23/90/22/642239022.db2.gz FHTCVAUKAHMYAO-ZETCQYMHSA-N -1 3 280.255 0.200 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](C)CN1CCO ZINC000841456071 642817540 /nfs/dbraw/zinc/81/75/40/642817540.db2.gz CSRXYTCHRQHRKS-GHMZBOCLSA-N -1 3 294.351 0.625 20 10 CCCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])S(C)(=O)=O ZINC000126477701 646793712 /nfs/dbraw/zinc/79/37/12/646793712.db2.gz POXPVCCEBGXCFZ-UHFFFAOYSA-N -1 3 287.337 0.651 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)C1=CCS(=O)(=O)C1 ZINC000928705962 648657903 /nfs/dbraw/zinc/65/79/03/648657903.db2.gz MZMXDGSFCHNYSQ-UHFFFAOYSA-N -1 3 285.296 0.502 20 10 CCCDHM CS(=O)(=O)CCC(=O)NCc1c([O-])cccc1F ZINC000928711641 648659687 /nfs/dbraw/zinc/65/96/87/648659687.db2.gz KILIUKOIXQWLNL-UHFFFAOYSA-N -1 3 275.301 0.582 20 10 CCCDHM CN(C)C(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000401785280 803801766 /nfs/dbraw/zinc/80/17/66/803801766.db2.gz FZFRLJKFTSNEIT-UHFFFAOYSA-N -1 3 293.323 0.537 20 10 CCCDHM CC(C)N(C)CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001142590293 815183249 /nfs/dbraw/zinc/18/32/49/815183249.db2.gz RAETWMJQPDGSEZ-UHFFFAOYSA-N -1 3 280.324 0.737 20 10 CCCDHM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc2cn[nH]c2c1 ZINC000028969006 814002706 /nfs/dbraw/zinc/00/27/06/814002706.db2.gz RZPCDFOKIZAZKZ-UHFFFAOYSA-N -1 3 287.304 0.390 20 10 CCCDHM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc2c[nH]nc2c1 ZINC000028969006 814002712 /nfs/dbraw/zinc/00/27/12/814002712.db2.gz RZPCDFOKIZAZKZ-UHFFFAOYSA-N -1 3 287.304 0.390 20 10 CCCDHM COCCOC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000706953566 819703428 /nfs/dbraw/zinc/70/34/28/819703428.db2.gz VRUCTZNZUZOFMU-UHFFFAOYSA-N -1 3 267.281 0.585 20 10 CCCDHM C[C@@]1(CO)CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1O ZINC001148212410 840762426 /nfs/dbraw/zinc/76/24/26/840762426.db2.gz YUUMTNNKOQZOJB-FZMZJTMJSA-N -1 3 281.308 0.303 20 10 CCCDHM O=C(N[C@@H]1CCCNC(=O)C1)c1cccc(O)c1[O-] ZINC001148224121 840766495 /nfs/dbraw/zinc/76/64/95/840766495.db2.gz COLAKPHZXJUYSN-MRVPVSSYSA-N -1 3 264.281 0.496 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC(N2CC(F)C2)C1 ZINC001148580045 840849261 /nfs/dbraw/zinc/84/92/61/840849261.db2.gz DMZINSVCRUWZGY-UHFFFAOYSA-N -1 3 282.271 0.282 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@H](F)C(=O)C1 ZINC001148581846 840850833 /nfs/dbraw/zinc/85/08/33/840850833.db2.gz DAZHLYSSRKVEEB-QMMMGPOBSA-N -1 3 283.255 0.947 20 10 CCCDHM COC1CC(CNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148590239 840856016 /nfs/dbraw/zinc/85/60/16/840856016.db2.gz FPPCGFQHYVEJOV-UHFFFAOYSA-N -1 3 267.281 0.958 20 10 CCCDHM COC(=O)[C@@H]1CC[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148589674 840856436 /nfs/dbraw/zinc/85/64/36/840856436.db2.gz GODOJSWRVYDJTD-VXNVDRBHSA-N -1 3 295.291 0.875 20 10 CCCDHM CC(C)(CNC(=O)c1cc(O)c([O-])c(O)c1)C(N)=O ZINC001148589611 840856469 /nfs/dbraw/zinc/85/64/69/840856469.db2.gz DRLJZEIIZJJSLM-UHFFFAOYSA-N -1 3 268.269 0.045 20 10 CCCDHM COC(C)(CNC(=O)c1cc(O)c([O-])c(O)c1)OC ZINC001148589927 840856877 /nfs/dbraw/zinc/85/68/77/840856877.db2.gz QYJDZGBWNFEXHB-UHFFFAOYSA-N -1 3 271.269 0.542 20 10 CCCDHM CCCOCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589994 840857051 /nfs/dbraw/zinc/85/70/51/840857051.db2.gz URPMCNUGMWQAKL-UHFFFAOYSA-N -1 3 255.270 0.960 20 10 CCCDHM Cn1nnc(CNCc2cc(Cl)ccc2[O-])n1 ZINC000398178326 854467091 /nfs/dbraw/zinc/46/70/91/854467091.db2.gz RLCQCIUPZGBSDL-UHFFFAOYSA-N -1 3 253.693 0.859 20 10 CCCDHM CN1CCN(C)[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000228513116 352075661 /nfs/dbraw/zinc/07/56/61/352075661.db2.gz AHBDXIAKYRCJLU-JTQLQIEISA-N -1 3 279.340 0.073 20 10 CCCDHM O=C(NC[C@H](O)C(F)(F)F)c1cccc(O)c1[O-] ZINC000230003859 352099644 /nfs/dbraw/zinc/09/96/44/352099644.db2.gz GCNQQPLRQPXLPV-ZETCQYMHSA-N -1 3 265.187 0.751 20 10 CCCDHM NC(=O)N[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000272506143 353069680 /nfs/dbraw/zinc/06/96/80/353069680.db2.gz WJLUZIZWCTVYBW-VIFPVBQESA-N -1 3 253.277 0.774 20 10 CCCDHM Cc1ccc(C(=O)N(C)CCC(N)=O)c([O-])c1O ZINC000286242322 353571534 /nfs/dbraw/zinc/57/15/34/353571534.db2.gz PELKIQBKIDXMIH-UHFFFAOYSA-N -1 3 252.270 0.354 20 10 CCCDHM O=C(NC[C@H]1CC[C@@H](CO)O1)c1cccc(O)c1[O-] ZINC000294462590 199049644 /nfs/dbraw/zinc/04/96/44/199049644.db2.gz IATGPTQOPJTJNS-BDAKNGLRSA-N -1 3 267.281 0.368 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CCCNC2=O)c([O-])c1O ZINC000296961733 200047547 /nfs/dbraw/zinc/04/75/47/200047547.db2.gz PSRKMVULQPQZOQ-VIFPVBQESA-N -1 3 264.281 0.415 20 10 CCCDHM O=C(CN1CCN(Cc2ccccc2[O-])CC1)NC1CC1 ZINC000179554111 389659397 /nfs/dbraw/zinc/65/93/97/389659397.db2.gz HHXYXSBNZYEWRF-UHFFFAOYSA-N -1 3 289.379 0.788 20 10 CCCDHM NC(=O)CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179895539 389664568 /nfs/dbraw/zinc/66/45/68/389664568.db2.gz YRIYSYHDHRYXCL-UHFFFAOYSA-N -1 3 267.304 0.134 20 10 CCCDHM COC(=O)CSCCNC(=O)c1cccc(O)c1[O-] ZINC000280754027 263064168 /nfs/dbraw/zinc/06/41/68/263064168.db2.gz XNWNREIJMLLMRH-UHFFFAOYSA-N -1 3 285.321 0.734 20 10 CCCDHM COc1c([O-])c(CN(C)[C@@H]2COC[C@H]2O)ccc1[N+](=O)[O-] ZINC000289567909 263110921 /nfs/dbraw/zinc/11/09/21/263110921.db2.gz JIELJUCOCQKDPP-GHMZBOCLSA-N -1 3 298.295 0.501 20 10 CCCDHM C[C@@H](CC[S@@](C)=O)NC(=O)c1cccc(O)c1[O-] ZINC000126554353 264221756 /nfs/dbraw/zinc/22/17/56/264221756.db2.gz TUCIAMXXTZWJLQ-ASCAZGACSA-N -1 3 271.338 0.985 20 10 CCCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])C[C@@H]1O ZINC000279185165 327545142 /nfs/dbraw/zinc/54/51/42/327545142.db2.gz BYJOQJIYWGRPCQ-JTQLQIEISA-N -1 3 251.282 0.941 20 10 CCCDHM CCCNC(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000126262008 519879666 /nfs/dbraw/zinc/87/96/66/519879666.db2.gz PWNTUMDDSCKFRI-UHFFFAOYSA-N -1 3 252.270 0.354 20 10 CCCDHM COC(=O)[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000272227610 523979988 /nfs/dbraw/zinc/97/99/88/523979988.db2.gz DCNFYABUGJCTBM-LLVKDONJSA-N -1 3 269.272 0.905 20 10 CCCDHM CNC(=O)[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000291887308 524100309 /nfs/dbraw/zinc/10/03/09/524100309.db2.gz KFAUCXKTQLYLJW-IUCAKERBSA-N -1 3 280.324 0.964 20 10 CCCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])c1nncn1C ZINC000280896665 524467708 /nfs/dbraw/zinc/46/77/08/524467708.db2.gz VKPKLOONUUPXCT-MRVPVSSYSA-N -1 3 276.296 0.760 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC2)c1 ZINC000048923206 525222055 /nfs/dbraw/zinc/22/20/55/525222055.db2.gz NLEYLFPCSBFKOZ-UHFFFAOYSA-N -1 3 284.337 1.000 20 10 CCCDHM C[C@@H](O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126522531 525853422 /nfs/dbraw/zinc/85/34/22/525853422.db2.gz ZORAMZQLPGEYRG-RKDXNWHRSA-N -1 3 251.282 0.941 20 10 CCCDHM O=C(NC[C@H]1CCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000126626645 526609046 /nfs/dbraw/zinc/60/90/46/526609046.db2.gz CNRVZWKQSXPQNZ-SCZZXKLOSA-N -1 3 251.282 0.989 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(CNC(=O)C2)C1 ZINC000790165349 581178780 /nfs/dbraw/zinc/17/87/80/581178780.db2.gz WYOONKYHMCCXMF-CQSZACIVSA-N -1 3 276.292 0.450 20 10 CCCDHM NC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000790906911 581202038 /nfs/dbraw/zinc/20/20/38/581202038.db2.gz YIKABCCJAFZQHW-VIFPVBQESA-N -1 3 278.308 0.968 20 10 CCCDHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790911828 581202309 /nfs/dbraw/zinc/20/23/09/581202309.db2.gz NRRYTGHWSXJIDI-PSASIEDQSA-N -1 3 278.308 0.742 20 10 CCCDHM CCN(Cc1cn(C)nn1)C(=O)c1cccc(O)c1[O-] ZINC000790926757 581202366 /nfs/dbraw/zinc/20/23/66/581202366.db2.gz RVSRAPCOSWNAAV-UHFFFAOYSA-N -1 3 276.296 0.889 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CNC(=O)O2)CC1 ZINC000781856213 581278644 /nfs/dbraw/zinc/27/86/44/581278644.db2.gz DGSJBYYWXYCNFW-UHFFFAOYSA-N -1 3 292.291 0.812 20 10 CCCDHM CNS(=O)(=O)CCNCc1cc(Cl)cc(F)c1[O-] ZINC000784670787 581391663 /nfs/dbraw/zinc/39/16/63/581391663.db2.gz CTLJVUHBCUJCIJ-UHFFFAOYSA-N -1 3 296.751 0.824 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H](CO)O1 ZINC000788007825 581484663 /nfs/dbraw/zinc/48/46/63/581484663.db2.gz IJPAPGJRSHZQST-APPZFPTMSA-N -1 3 257.311 0.676 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(F)C2)c1 ZINC000753066946 581525488 /nfs/dbraw/zinc/52/54/88/581525488.db2.gz KIMMFVXCYVUYDB-UHFFFAOYSA-N -1 3 288.300 0.558 20 10 CCCDHM NC(=O)c1ccc(CNC(=O)c2cc([O-])cs2)cn1 ZINC000754017373 581571010 /nfs/dbraw/zinc/57/10/10/581571010.db2.gz KWZIARCVZRPQHC-UHFFFAOYSA-N -1 3 277.305 0.878 20 10 CCCDHM COc1ccc(O)c([C@H](C)NCc2nc(=O)n(C)[n-]2)c1 ZINC000754140323 581577624 /nfs/dbraw/zinc/57/76/24/581577624.db2.gz MOZSHXGXEKPHBD-QMMMGPOBSA-N -1 3 278.312 0.673 20 10 CCCDHM O=C(c1cc([O-])cs1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000754430644 581591329 /nfs/dbraw/zinc/59/13/29/581591329.db2.gz COAHRMMSSGJHNH-SFYZADRCSA-N -1 3 266.322 0.947 20 10 CCCDHM CCNC(=O)C1CN(C(=O)c2cc([O-])cs2)C1 ZINC000754436258 581591359 /nfs/dbraw/zinc/59/13/59/581591359.db2.gz PUVYIQHCJMQHTR-UHFFFAOYSA-N -1 3 254.311 0.662 20 10 CCCDHM NS(=O)(=O)[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000785984470 581597489 /nfs/dbraw/zinc/59/74/89/581597489.db2.gz FPMYZIKLTGRPND-MRVPVSSYSA-N -1 3 290.772 0.908 20 10 CCCDHM Nc1ncncc1CNC(=O)c1cc([O-])cs1 ZINC000756791117 581677890 /nfs/dbraw/zinc/67/78/90/581677890.db2.gz MPAAKFJOWYIVLP-UHFFFAOYSA-N -1 3 250.283 0.756 20 10 CCCDHM CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000731910168 581789856 /nfs/dbraw/zinc/78/98/56/581789856.db2.gz MUSFQINRCNCBJM-YFKPBYRVSA-N -1 3 272.282 0.455 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCN(CCO)CC1 ZINC000771539535 581807183 /nfs/dbraw/zinc/80/71/83/581807183.db2.gz DEDWUQBKYTVWIT-UHFFFAOYSA-N -1 3 256.327 0.204 20 10 CCCDHM Cn1cnnc1CCNC(=O)c1cc([O-])cs1 ZINC000736672979 581815420 /nfs/dbraw/zinc/81/54/20/581815420.db2.gz BYGRKGBXJXTVEF-UHFFFAOYSA-N -1 3 252.299 0.555 20 10 CCCDHM O=C(COC(=O)c1cc([O-])cs1)NC[C@H]1CCCO1 ZINC000732352639 581820395 /nfs/dbraw/zinc/82/03/95/581820395.db2.gz APVZEKPMRZUBOF-SECBINFHSA-N -1 3 285.321 0.906 20 10 CCCDHM O=C([O-])[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000821511747 598097972 /nfs/dbraw/zinc/09/79/72/598097972.db2.gz QFLBMTKGVQDZBX-PELKAZGASA-N -1 3 279.292 0.725 20 10 CCCDHM O=C([O-])[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000821511747 598097975 /nfs/dbraw/zinc/09/79/75/598097975.db2.gz QFLBMTKGVQDZBX-PELKAZGASA-N -1 3 279.292 0.725 20 10 CCCDHM CC(C)NC(=O)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126530887 613931811 /nfs/dbraw/zinc/93/18/11/613931811.db2.gz PNKZSIWELCEKNE-MRVPVSSYSA-N -1 3 266.297 0.741 20 10 CCCDHM CC1(C(N)=O)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000843940985 614497564 /nfs/dbraw/zinc/49/75/64/614497564.db2.gz CZBPXLLNRFHBPB-UHFFFAOYSA-N -1 3 250.254 0.045 20 10 CCCDHM CCN1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CC1=O ZINC000922725008 615355147 /nfs/dbraw/zinc/35/51/47/615355147.db2.gz WFJVAYPTIYECIW-VIFPVBQESA-N -1 3 295.314 0.951 20 10 CCCDHM CC[C@H]1C(=O)NCCCN1C(=O)c1cccc(O)c1[O-] ZINC000886527612 615872167 /nfs/dbraw/zinc/87/21/67/615872167.db2.gz SLNPMZWCWTYTGV-JTQLQIEISA-N -1 3 278.308 0.839 20 10 CCCDHM CN=[S@@](C)(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000912788904 616527886 /nfs/dbraw/zinc/52/78/86/616527886.db2.gz ZZCOVQYLSNYUCF-SFHVURJKSA-N -1 3 272.326 0.555 20 10 CCCDHM COCCCS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452219 616929720 /nfs/dbraw/zinc/92/97/20/616929720.db2.gz ICIJBXMDNMFHQR-UHFFFAOYSA-N -1 3 277.317 0.987 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCC(=O)N2CCC[C@@H]21 ZINC000888168851 632974609 /nfs/dbraw/zinc/97/46/09/632974609.db2.gz VMMWFBNZDXDKDD-NSHDSACASA-N -1 3 276.292 0.892 20 10 CCCDHM Cc1cc([O-])c(CN2CC3(C2)NC(=O)NC3=O)c(Cl)c1 ZINC000897904120 633253588 /nfs/dbraw/zinc/25/35/88/633253588.db2.gz RYSKYUHKWCJIOC-UHFFFAOYSA-N -1 3 295.726 0.748 20 10 CCCDHM O=S(=O)(NCc1c([O-])cccc1F)[C@H]1CCOC1 ZINC000921452156 638185149 /nfs/dbraw/zinc/18/51/49/638185149.db2.gz FYCVYPHDTMAOIZ-QMMMGPOBSA-N -1 3 275.301 0.740 20 10 CCCDHM O=C(N[C@H]1CCc2nnnn2CC1)c1cccc(O)c1[O-] ZINC000817699697 641269390 /nfs/dbraw/zinc/26/93/90/641269390.db2.gz CBFOMSFOSUKSIK-QMMMGPOBSA-N -1 3 289.295 0.219 20 10 CCCDHM [O-]c1cc(Br)ccc1CN1C[C@H](O)[C@@H](O)C1 ZINC000862445975 645000406 /nfs/dbraw/zinc/00/04/06/645000406.db2.gz KTMULSMFPIXDCR-QWRGUYRKSA-N -1 3 288.141 0.692 20 10 CCCDHM COC(=O)[C@@H]1CNCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001236055429 806536988 /nfs/dbraw/zinc/53/69/88/806536988.db2.gz OITVOEDIHYMDON-NSHDSACASA-N -1 3 294.307 0.037 20 10 CCCDHM O=S(=O)([N-]CCc1cc(O)c(O)cc1O)C(F)F ZINC001259960045 808823842 /nfs/dbraw/zinc/82/38/42/808823842.db2.gz IESYQNCVSTYBIX-UHFFFAOYSA-N -1 3 283.252 0.488 20 10 CCCDHM CO[C@](C)(CO)CNC(=O)c1cccc(O)c1[O-] ZINC000702531345 819142045 /nfs/dbraw/zinc/14/20/45/819142045.db2.gz MZSMGOXRVNCTQX-LBPRGKRZSA-N -1 3 255.270 0.225 20 10 CCCDHM O=C(Cn1cc(F)c(=O)[n-]c1=O)NCc1ccccc1O ZINC001183662287 844073605 /nfs/dbraw/zinc/07/36/05/844073605.db2.gz JZCPWLGUYONJLD-UHFFFAOYSA-N -1 3 293.254 0.110 20 10 CCCDHM C[C@]1(CO)CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1O ZINC001148212408 840761365 /nfs/dbraw/zinc/76/13/65/840761365.db2.gz YUUMTNNKOQZOJB-BXUZGUMPSA-N -1 3 281.308 0.303 20 10 CCCDHM COC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC001148224120 840767312 /nfs/dbraw/zinc/76/73/12/840767312.db2.gz CNMBWGPVKNKAIB-QMMMGPOBSA-N -1 3 293.197 0.932 20 10 CCCDHM Cc1cnc(NC(=O)c2cccc(O)c2[O-])c(=O)[nH]1 ZINC001148225544 840767415 /nfs/dbraw/zinc/76/74/15/840767415.db2.gz OUGPQIIHCKRCSP-UHFFFAOYSA-N -1 3 261.237 0.742 20 10 CCCDHM Cc1cnn(CCO)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582837 840848350 /nfs/dbraw/zinc/84/83/50/840848350.db2.gz NAHDQPKPDZVOOC-UHFFFAOYSA-N -1 3 293.279 0.553 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCCC(=O)[C@H](F)C1 ZINC001148583037 840848394 /nfs/dbraw/zinc/84/83/94/840848394.db2.gz QCRXJRVCLUKNBV-MRVPVSSYSA-N -1 3 283.255 0.947 20 10 CCCDHM C[C@@]1(CO)CN(C(=O)c2cc(O)c([O-])c(O)c2)CC[C@@H]1O ZINC001148583290 840848703 /nfs/dbraw/zinc/84/87/03/840848703.db2.gz XCHOQLWJBZJAPC-FZMZJTMJSA-N -1 3 297.307 0.009 20 10 CCCDHM C[C@@]1(CO)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@H]1O ZINC001148583297 840853474 /nfs/dbraw/zinc/85/34/74/840853474.db2.gz XDHLNHASPOHWNX-RISCZKNCSA-N -1 3 297.307 0.009 20 10 CCCDHM CO[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1O ZINC000396026285 854356835 /nfs/dbraw/zinc/35/68/35/854356835.db2.gz WZPIKWXFJYHUFZ-CHWSQXEVSA-N -1 3 283.299 0.925 20 10 CCCDHM O=C(Nc1cnc2c(c1)CNC2=O)c1cccc(O)c1[O-] ZINC001305155090 908191212 /nfs/dbraw/zinc/19/12/12/908191212.db2.gz MWMWLHUDERSWHK-UHFFFAOYSA-N -1 3 285.259 0.989 20 10 CCCDHM CCOc1ccc(C[NH2+]C[C@@](C)(O)C(=O)[O-])c([O-])c1 ZINC001610372888 970733486 /nfs/dbraw/zinc/73/34/86/970733486.db2.gz WABYILATBZFGSA-CYBMUJFWSA-N -1 3 269.297 0.716 20 10 CCCDHM COC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC001598824922 996372228 /nfs/dbraw/zinc/37/22/28/996372228.db2.gz BGSKYQDHGRKLNI-MNOVXSKESA-N -1 3 279.292 0.698 20 10 CCCDHM COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC001598824922 996372232 /nfs/dbraw/zinc/37/22/32/996372232.db2.gz BGSKYQDHGRKLNI-MNOVXSKESA-N -1 3 279.292 0.698 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000187185476 351532889 /nfs/dbraw/zinc/53/28/89/351532889.db2.gz WSUCSADBWZFYGA-WDEREUQCSA-N -1 3 290.319 0.981 20 10 CCCDHM COCCN1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295382406 353893213 /nfs/dbraw/zinc/89/32/13/353893213.db2.gz XQXINCKDUUUZLK-VIFPVBQESA-N -1 3 298.314 0.687 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC(=O)N1 ZINC000296159939 353934837 /nfs/dbraw/zinc/93/48/37/353934837.db2.gz NCGMWQNEHOJKFP-SSDOTTSWSA-N -1 3 250.254 0.058 20 10 CCCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](O)[C@@H](O)C1 ZINC000294672770 199127440 /nfs/dbraw/zinc/12/74/40/199127440.db2.gz MHRQZHNXLRHZRP-QWRGUYRKSA-N -1 3 261.680 0.722 20 10 CCCDHM Cc1ccc(C(=O)NCCNC(=O)C(C)C)c([O-])c1O ZINC000177682426 389589591 /nfs/dbraw/zinc/58/95/91/389589591.db2.gz AIDRONSZOBBROH-UHFFFAOYSA-N -1 3 280.324 0.908 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C)CN2CCOCC2)c([O-])c1O ZINC000177672386 389590362 /nfs/dbraw/zinc/59/03/62/389590362.db2.gz AHHHEJMXOPGLHV-LLVKDONJSA-N -1 3 294.351 0.857 20 10 CCCDHM CC(=O)NC[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000180164568 389666060 /nfs/dbraw/zinc/66/60/60/389666060.db2.gz AWPMSQRAXRVBLD-ZDUSSCGKSA-N -1 3 282.315 0.868 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H](O)[C@H]2CCCO2)c([O-])c1O ZINC000529764020 285491836 /nfs/dbraw/zinc/49/18/36/285491836.db2.gz GFOQFPRZJXDDPZ-GHMZBOCLSA-N -1 3 281.308 0.676 20 10 CCCDHM O=C(NC[C@@H](O)[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000529769191 285495601 /nfs/dbraw/zinc/49/56/01/285495601.db2.gz NKSKDGNVCDGSQW-MNOVXSKESA-N -1 3 267.281 0.368 20 10 CCCDHM CC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126223392 260346656 /nfs/dbraw/zinc/34/66/56/260346656.db2.gz SUPCFHRAVQUBOE-UHFFFAOYSA-N -1 3 264.281 0.402 20 10 CCCDHM CS(=O)(=O)C1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000280872330 525099077 /nfs/dbraw/zinc/09/90/77/525099077.db2.gz WTBYYQPSWPWGDF-UHFFFAOYSA-N -1 3 285.321 0.405 20 10 CCCDHM Cc1ccc(C(=O)N2CC(=O)N(C3CC3)C2)c([O-])c1O ZINC000279966180 526078973 /nfs/dbraw/zinc/07/89/73/526078973.db2.gz YJJUQMSLSDQNCX-UHFFFAOYSA-N -1 3 276.292 0.811 20 10 CCCDHM CC1N=NC(=S)N1CCNC(=O)c1cccc(O)c1[O-] ZINC000275082007 526378126 /nfs/dbraw/zinc/37/81/26/526378126.db2.gz DZXRWBUZYUQDOH-UHFFFAOYSA-N -1 3 294.336 0.716 20 10 CCCDHM [O-]c1ccc(F)cc1CN1CCn2c(CO)nnc2C1 ZINC000779026261 581173216 /nfs/dbraw/zinc/17/32/16/581173216.db2.gz VFMIZINLUGMKOH-UHFFFAOYSA-N -1 3 278.287 0.631 20 10 CCCDHM CN(C)c1nccc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000790915778 581202295 /nfs/dbraw/zinc/20/22/95/581202295.db2.gz MHVAFXIZUQCLMY-UHFFFAOYSA-N -1 3 288.307 0.884 20 10 CCCDHM Cc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)c([O-])c1O ZINC000781002384 581255392 /nfs/dbraw/zinc/25/53/92/581255392.db2.gz UDEBHXBPFGWVNF-SNVBAGLBSA-N -1 3 290.319 0.853 20 10 CCCDHM Cc1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C)c([O-])c1O ZINC000783760430 581360123 /nfs/dbraw/zinc/36/01/23/581360123.db2.gz XHTOLVDMQUXHLM-SECBINFHSA-N -1 3 278.308 0.709 20 10 CCCDHM NS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000785984501 581425876 /nfs/dbraw/zinc/42/58/76/581425876.db2.gz HDGXSJMQTYBSHQ-SNVBAGLBSA-N -1 3 290.772 0.908 20 10 CCCDHM COCCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCOC1 ZINC000787849310 581480017 /nfs/dbraw/zinc/48/00/17/581480017.db2.gz LWEOFDDMMYWCMW-JTQLQIEISA-N -1 3 281.308 0.975 20 10 CCCDHM COC(=O)[C@H]1COCCN1Cc1c([O-])cccc1OC ZINC000769397262 581687145 /nfs/dbraw/zinc/68/71/45/581687145.db2.gz CIKJOLUUHTUXMG-LLVKDONJSA-N -1 3 281.308 0.775 20 10 CCCDHM [O-]c1ccc(Cl)cc1CN1C[C@H](O)C[C@H](O)C1 ZINC000769563048 581696652 /nfs/dbraw/zinc/69/66/52/581696652.db2.gz GDFQSKLWIDCBOT-PHIMTYICSA-N -1 3 257.717 0.973 20 10 CCCDHM CN(C)c1nc(N)nc(COC(=O)c2cc([O-])cs2)n1 ZINC000731911884 581790460 /nfs/dbraw/zinc/79/04/60/581790460.db2.gz MVWVJVUUAYPPGK-UHFFFAOYSA-N -1 3 295.324 0.644 20 10 CCCDHM CNC(=O)Cn1cc(NC(=O)c2cc([O-])cs2)cn1 ZINC000732273947 581813450 /nfs/dbraw/zinc/81/34/50/581813450.db2.gz MFJHIYQYDVMVAG-UHFFFAOYSA-N -1 3 280.309 0.649 20 10 CCCDHM NC(=O)CN1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732272432 581813501 /nfs/dbraw/zinc/81/35/01/581813501.db2.gz UGAPURRWJUEJHI-UHFFFAOYSA-N -1 3 283.353 0.087 20 10 CCCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])CCS1(=O)=O ZINC000760787157 581872676 /nfs/dbraw/zinc/87/26/76/581872676.db2.gz CEPZLEJIWMZIBR-SECBINFHSA-N -1 3 299.348 0.747 20 10 CCCDHM COc1c([O-])c(CNC2(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000775059038 582010959 /nfs/dbraw/zinc/01/09/59/582010959.db2.gz IGKTUQCQLVDBDI-UHFFFAOYSA-N -1 3 281.268 0.417 20 10 CCCDHM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000775618934 582032661 /nfs/dbraw/zinc/03/26/61/582032661.db2.gz NOSKDGSETMUTDU-VHSXEESVSA-N -1 3 298.364 0.819 20 10 CCCDHM [O-]c1c(Cl)cccc1CN1C[C@H](O)C[C@H](O)C1 ZINC000775735316 582035432 /nfs/dbraw/zinc/03/54/32/582035432.db2.gz LZJLGLARIZXULV-AOOOYVTPSA-N -1 3 257.717 0.973 20 10 CCCDHM [O-]c1cc2c(cc1CN1CCOCC1)[C@H](O)CO2 ZINC000768439047 582106608 /nfs/dbraw/zinc/10/66/08/582106608.db2.gz YVFYVUXEDZDMJV-GFCCVEGCSA-N -1 3 251.282 0.650 20 10 CCCDHM C=C=CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000816699169 613421414 /nfs/dbraw/zinc/42/14/14/613421414.db2.gz AZCGLWSZECVBKO-UHFFFAOYSA-N -1 3 282.321 0.835 20 10 CCCDHM CCNC(=O)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126324531 615465817 /nfs/dbraw/zinc/46/58/17/615465817.db2.gz IPOYEIWBDCJRDN-UHFFFAOYSA-N -1 3 252.270 0.306 20 10 CCCDHM COC(=O)[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000856368050 616420337 /nfs/dbraw/zinc/42/03/37/616420337.db2.gz WHBAPEGTCGPEPR-ZKCHVHJHSA-N -1 3 265.265 0.779 20 10 CCCDHM CNC(=O)C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922745006 616676577 /nfs/dbraw/zinc/67/65/77/616676577.db2.gz ITLUSHNTLBLLQP-QMMMGPOBSA-N -1 3 283.303 0.855 20 10 CCCDHM COC(=O)[C@]1(OC)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000862742974 616792601 /nfs/dbraw/zinc/79/26/01/616792601.db2.gz GAMAPVOLAWUJIZ-AWEZNQCLSA-N -1 3 295.291 0.502 20 10 CCCDHM Cn1ccc(CCNC(=O)c2cccc(O)c2[O-])n1 ZINC000229417970 637115132 /nfs/dbraw/zinc/11/51/32/637115132.db2.gz RLKBOGFSDRRUHP-UHFFFAOYSA-N -1 3 261.281 0.804 20 10 CCCDHM NC(=O)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126238155 646693147 /nfs/dbraw/zinc/69/31/47/646693147.db2.gz KFHPBNCGUKGNDZ-QMMMGPOBSA-N -1 3 250.254 0.188 20 10 CCCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](O)[C@@H](O)C1 ZINC000877749689 646838956 /nfs/dbraw/zinc/83/89/56/646838956.db2.gz QSZJTKPHVBGXCF-MNOVXSKESA-N -1 3 257.717 0.973 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H]2COCC[C@@H]21 ZINC000888780949 647090886 /nfs/dbraw/zinc/09/08/86/647090886.db2.gz NVFWOOXBRCQCKD-CMPLNLGQSA-N -1 3 279.292 0.728 20 10 CCCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)N1C(=O)CCC1=O ZINC000928711903 648658947 /nfs/dbraw/zinc/65/89/47/648658947.db2.gz LQJLDZGEUUVZKL-MRVPVSSYSA-N -1 3 294.282 0.685 20 10 CCCDHM O=C(C[C@H]1CC(=O)N1)NCc1c([O-])cccc1F ZINC000928706210 648659005 /nfs/dbraw/zinc/65/90/05/648659005.db2.gz OVLDTLGQCRXANN-ZETCQYMHSA-N -1 3 252.245 0.426 20 10 CCCDHM O=C(C[C@@H]1CCC(=O)N1)NCc1c([O-])cccc1F ZINC000928711214 648659165 /nfs/dbraw/zinc/65/91/65/648659165.db2.gz IDOBMEJFKDNAPU-QMMMGPOBSA-N -1 3 266.272 0.816 20 10 CCCDHM CS(=O)(=O)NCCC(=O)NCc1c([O-])cccc1F ZINC000928711663 648659511 /nfs/dbraw/zinc/65/95/11/648659511.db2.gz KYYAGRRCACYURJ-UHFFFAOYSA-N -1 3 290.316 0.087 20 10 CCCDHM C[C@@]1(CO)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1O ZINC001231445958 805802395 /nfs/dbraw/zinc/80/23/95/805802395.db2.gz DCXWTIQMMMVAAH-ZFWWWQNUSA-N -1 3 295.335 0.656 20 10 CCCDHM C[C@@]1(CO)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1O ZINC001231445958 805802404 /nfs/dbraw/zinc/80/24/04/805802404.db2.gz DCXWTIQMMMVAAH-ZFWWWQNUSA-N -1 3 295.335 0.656 20 10 CCCDHM COC(=O)[C@@H]1CNCCN1Cc1cccc(Cl)c1[O-] ZINC001236056648 806538845 /nfs/dbraw/zinc/53/88/45/806538845.db2.gz LNFXEIKUSPCAFB-NSHDSACASA-N -1 3 284.743 0.992 20 10 CCCDHM CN(Cc1cc(Cl)cc(F)c1[O-])C[C@@H](O)CO ZINC001237618348 806702977 /nfs/dbraw/zinc/70/29/77/806702977.db2.gz IIPMJQKNCUDOES-SECBINFHSA-N -1 3 263.696 0.970 20 10 CCCDHM COC(=O)[C@H]1CN(C)CCN1Cc1cc(F)ccc1[O-] ZINC001140060056 799877833 /nfs/dbraw/zinc/87/78/33/799877833.db2.gz IXROOFJXRLAOFD-GFCCVEGCSA-N -1 3 282.315 0.820 20 10 CCCDHM NC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(F)ccc1[O-] ZINC001140055435 799878292 /nfs/dbraw/zinc/87/82/92/799878292.db2.gz YDFYVFCYKKJWBL-UWVGGRQHSA-N -1 3 256.252 0.929 20 10 CCCDHM Nc1ccc(CC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001219970164 804461130 /nfs/dbraw/zinc/46/11/30/804461130.db2.gz WOXQZXYDIVPNSR-NSHDSACASA-N -1 3 274.324 0.440 20 10 CCCDHM CC(C)OCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC000586736568 809538594 /nfs/dbraw/zinc/53/85/94/809538594.db2.gz ABIQTKYJQICEKO-UHFFFAOYSA-N -1 3 255.270 0.958 20 10 CCCDHM COC[C@@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000382545395 811511680 /nfs/dbraw/zinc/51/16/80/811511680.db2.gz FTEXTSCGIZPQOM-LBPRGKRZSA-N -1 3 255.270 0.225 20 10 CCCDHM COC[C@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000382545394 811511880 /nfs/dbraw/zinc/51/18/80/811511880.db2.gz FTEXTSCGIZPQOM-GFCCVEGCSA-N -1 3 255.270 0.225 20 10 CCCDHM CN1CC[C@@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1=O ZINC001269685422 813469550 /nfs/dbraw/zinc/46/95/50/813469550.db2.gz CKOMWUMJPBTHQC-HNNXBMFYSA-N -1 3 290.319 0.792 20 10 CCCDHM COC(=O)[C@@H]1C[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001148224859 840765981 /nfs/dbraw/zinc/76/59/81/840765981.db2.gz XPQSSUDXSXZMFV-IONNQARKSA-N -1 3 265.265 0.637 20 10 CCCDHM CC1(C)C(=O)NC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001148225296 840766060 /nfs/dbraw/zinc/76/60/60/840766060.db2.gz KEHPCZMWNCUSDR-VIFPVBQESA-N -1 3 264.281 0.352 20 10 CCCDHM O=C(NCCN1CC2(COC2)C1)c1cccc(O)c1[O-] ZINC001148224755 840766276 /nfs/dbraw/zinc/76/62/76/840766276.db2.gz URSFPGNIYPEAJB-UHFFFAOYSA-N -1 3 278.308 0.160 20 10 CCCDHM CC1(C)[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1O ZINC001148591235 840855712 /nfs/dbraw/zinc/85/57/12/840855712.db2.gz VPGHLBGNUVUYQI-ZJUUUORDSA-N -1 3 267.281 0.693 20 10 CCCDHM Nc1ccc(CC(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC001326817027 914202803 /nfs/dbraw/zinc/20/28/03/914202803.db2.gz OHEVIUBYGCOUON-UHFFFAOYSA-N -1 3 284.319 0.892 20 10 CCCDHM O=C(CNCc1cc(F)cc(F)c1[O-])N1CCCO1 ZINC001308545625 908420661 /nfs/dbraw/zinc/42/06/61/908420661.db2.gz FDVPMLDTBGEHFZ-UHFFFAOYSA-N -1 3 272.251 0.924 20 10 CCCDHM COc1c([O-])c(CNCc2nncn2C)ccc1[N+](=O)[O-] ZINC001322150351 911682558 /nfs/dbraw/zinc/68/25/58/911682558.db2.gz QEQKTPKBTSEBDJ-UHFFFAOYSA-N -1 3 293.283 0.727 20 10 CCCDHM O=C(CC1CS(=O)(=O)C1)NCc1c([O-])cccc1F ZINC001332477562 918196284 /nfs/dbraw/zinc/19/62/84/918196284.db2.gz KZUFRIZAJCTMNP-UHFFFAOYSA-N -1 3 287.312 0.582 20 10 CCCDHM CN1CC[N@H+](Cc2ccccc2[O-])C[C@H](C(=O)[O-])C1 ZINC001598620008 993986970 /nfs/dbraw/zinc/98/69/70/993986970.db2.gz UIBNWMXTIYNSJM-GFCCVEGCSA-N -1 3 264.325 0.840 20 10 CCCDHM CN1CC[N@@H+](Cc2ccccc2[O-])C[C@H](C(=O)[O-])C1 ZINC001598620008 993986976 /nfs/dbraw/zinc/98/69/76/993986976.db2.gz UIBNWMXTIYNSJM-GFCCVEGCSA-N -1 3 264.325 0.840 20 10 CCCDHM COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC001598824920 996372252 /nfs/dbraw/zinc/37/22/52/996372252.db2.gz BGSKYQDHGRKLNI-GHMZBOCLSA-N -1 3 279.292 0.698 20 10 CCCDHM COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC001598824920 996372255 /nfs/dbraw/zinc/37/22/55/996372255.db2.gz BGSKYQDHGRKLNI-GHMZBOCLSA-N -1 3 279.292 0.698 20 10 CCCDHM Cc1ccc(C(=O)NCCN2CCCOCC2)c([O-])c1O ZINC000189381974 351674121 /nfs/dbraw/zinc/67/41/21/351674121.db2.gz BQQASAZQVYOZRM-UHFFFAOYSA-N -1 3 294.351 0.858 20 10 CCCDHM NC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000272484896 353068084 /nfs/dbraw/zinc/06/80/84/353068084.db2.gz TWXRUAXHUVVQJA-SNVBAGLBSA-N -1 3 253.277 0.774 20 10 CCCDHM Cc1ccc(C(=O)NCC(=O)NC2CC2)c([O-])c1O ZINC000267598318 389372970 /nfs/dbraw/zinc/37/29/70/389372970.db2.gz ORYDCNJRBMZBLJ-UHFFFAOYSA-N -1 3 264.281 0.415 20 10 CCCDHM CN1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000279297849 389566514 /nfs/dbraw/zinc/56/65/14/389566514.db2.gz NCCBARJKODDVLX-QMMMGPOBSA-N -1 3 250.254 0.058 20 10 CCCDHM CNC(=O)NC[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000529643513 390848936 /nfs/dbraw/zinc/84/89/36/390848936.db2.gz KKEKRLVXDRTYIQ-GFCCVEGCSA-N -1 3 297.330 0.661 20 10 CCCDHM C[C@]1(CO)CN(C(=O)c2cccc(O)c2[O-])C[C@@]1(C)CO ZINC000529962919 285519525 /nfs/dbraw/zinc/51/95/25/285519525.db2.gz VICAGDHURBPNAP-GASCZTMLSA-N -1 3 295.335 0.551 20 10 CCCDHM CCN1OC[C@@H](N(C)Cc2ccccc2[O-])C1=O ZINC000788494309 581114064 /nfs/dbraw/zinc/11/40/64/581114064.db2.gz MXSUPULMYWNEDR-LLVKDONJSA-N -1 3 250.298 0.986 20 10 CCCDHM NC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126218386 260346681 /nfs/dbraw/zinc/34/66/81/260346681.db2.gz UJTJVMAPNRFJHT-QMMMGPOBSA-N -1 3 264.281 0.435 20 10 CCCDHM Cn1cnc(S(=O)(=O)[N-]CCc2ccc(N)cc2)c1 ZINC000052095982 261059106 /nfs/dbraw/zinc/05/91/06/261059106.db2.gz ORGUGBSKUSSBCM-UHFFFAOYSA-N -1 3 280.353 0.523 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ncnn1C ZINC000276919136 263038490 /nfs/dbraw/zinc/03/84/90/263038490.db2.gz SNFPBNHBXVURJN-ZETCQYMHSA-N -1 3 262.269 0.717 20 10 CCCDHM CN(CCS(C)(=O)=O)C(=O)c1cc([O-])cs1 ZINC000732285139 581817417 /nfs/dbraw/zinc/81/74/17/581817417.db2.gz SZTKUNLDCRXHIM-UHFFFAOYSA-N -1 3 263.340 0.570 20 10 CCCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000275085570 330109139 /nfs/dbraw/zinc/10/91/39/330109139.db2.gz FTPPIJNXENRQKS-MRVPVSSYSA-N -1 3 253.254 0.779 20 10 CCCDHM CC(=O)c1cc(F)cc(CN(CCO)C[C@@H](C)O)c1[O-] ZINC000289872785 518283139 /nfs/dbraw/zinc/28/31/39/518283139.db2.gz QVUXQSZCFMHGLT-SECBINFHSA-N -1 3 285.315 0.909 20 10 CCCDHM CCN(C)C(=O)CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278534964 520172174 /nfs/dbraw/zinc/17/21/74/520172174.db2.gz VXLMBRRCHATSNM-UHFFFAOYSA-N -1 3 297.311 0.877 20 10 CCCDHM CCN(C)C(=O)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000188509599 520199496 /nfs/dbraw/zinc/19/94/96/520199496.db2.gz NSJAHONWTDSCKE-MRVPVSSYSA-N -1 3 266.297 0.694 20 10 CCCDHM Cc1ccc(C(=O)NCC2(C)OCCO2)c([O-])c1O ZINC000272725964 526157522 /nfs/dbraw/zinc/15/75/22/526157522.db2.gz IRALTKSSZDVAJU-UHFFFAOYSA-N -1 3 267.281 0.899 20 10 CCCDHM Cc1ccc(C(=O)N2C[C@H](CO)OC[C@H]2C)c([O-])c1O ZINC000780984791 581130510 /nfs/dbraw/zinc/13/05/10/581130510.db2.gz YKNNWVVQQMRPCR-NXEZZACHSA-N -1 3 281.308 0.628 20 10 CCCDHM Cc1cc(O)c(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1C ZINC000779433392 581185365 /nfs/dbraw/zinc/18/53/65/581185365.db2.gz YJPVLLIXUCXASB-GFCCVEGCSA-N -1 3 289.335 0.745 20 10 CCCDHM O=C1NC(=O)N2CCN(Cc3c([O-])cccc3Cl)C[C@@H]12 ZINC000779433125 581185405 /nfs/dbraw/zinc/18/54/05/581185405.db2.gz QKIUGUPQUSDOAJ-JTQLQIEISA-N -1 3 295.726 0.782 20 10 CCCDHM COC(=O)C1(O)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790910951 581202442 /nfs/dbraw/zinc/20/24/42/581202442.db2.gz ADAQSHPWGHXCHA-UHFFFAOYSA-N -1 3 295.291 0.238 20 10 CCCDHM CCOCCOC[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000792042233 581245617 /nfs/dbraw/zinc/24/56/17/581245617.db2.gz YRILLYLCFYSRBD-SNVBAGLBSA-N -1 3 299.323 0.242 20 10 CCCDHM [O-]c1cc2c(cc1CN1CCO[C@@H]3C[C@@H]31)[C@@H](O)CO2 ZINC000793621512 581305330 /nfs/dbraw/zinc/30/53/30/581305330.db2.gz ZBKMUDGDBLQMPQ-VHRBIJSZSA-N -1 3 263.293 0.791 20 10 CCCDHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](CO)C2)c([O-])c1O ZINC000787475137 581470698 /nfs/dbraw/zinc/47/06/98/581470698.db2.gz NSMTUVMPGCKOCH-NXEZZACHSA-N -1 3 281.308 0.628 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](CO)[C@H](O)C2)c1[O-] ZINC000787996685 581484158 /nfs/dbraw/zinc/48/41/58/581484158.db2.gz NNUMIZWJGZXJNJ-IINYFYTJSA-N -1 3 297.326 0.909 20 10 CCCDHM O=C(N[C@@H]1CCCCNC1=O)c1cc([O-])cs1 ZINC000731869931 581784980 /nfs/dbraw/zinc/78/49/80/581784980.db2.gz YXEVFVFTTVAGAB-MRVPVSSYSA-N -1 3 254.311 0.852 20 10 CCCDHM C[C@H](CN1CCN(C)CC1)NC(=O)c1cc([O-])cs1 ZINC000732289845 581817655 /nfs/dbraw/zinc/81/76/55/581817655.db2.gz XJMSGJAHGXZDHQ-SNVBAGLBSA-N -1 3 283.397 0.819 20 10 CCCDHM Cc1ccc(C(=O)NN2CCCC2=O)c([O-])c1O ZINC000762648434 581954971 /nfs/dbraw/zinc/95/49/71/581954971.db2.gz 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ZINC001148219118 840767063 /nfs/dbraw/zinc/76/70/63/840767063.db2.gz UDGZMWWICNSGRF-UHFFFAOYSA-N -1 3 267.281 0.933 20 10 CCCDHM CC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cccc(O)c2[O-])C1 ZINC001148220177 840767074 /nfs/dbraw/zinc/76/70/74/840767074.db2.gz WERSVSURQZHFTA-XPTSAGLGSA-N -1 3 276.292 0.448 20 10 CCCDHM COc1nn(C)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148580053 840849016 /nfs/dbraw/zinc/84/90/16/840849016.db2.gz DSPGXSHXCKQILZ-UHFFFAOYSA-N -1 3 279.252 0.798 20 10 CCCDHM Cn1nncc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582265 840850811 /nfs/dbraw/zinc/85/08/11/840850811.db2.gz HTBBHNOAUZSJKA-UHFFFAOYSA-N -1 3 250.214 0.184 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(C1)OCCO2 ZINC001148583785 840853716 /nfs/dbraw/zinc/85/37/16/840853716.db2.gz BEDRETQWDJIHRX-UHFFFAOYSA-N -1 3 281.264 0.392 20 10 CCCDHM COC(=O)COCC(=O)NCc1c([O-])cccc1F ZINC001332926990 918535748 /nfs/dbraw/zinc/53/57/48/918535748.db2.gz YPPLXLDFFIUEAT-UHFFFAOYSA-N -1 3 271.244 0.337 20 10 CCCDHM 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0.943 20 10 CCCDHM COc1ccc([O-])c([C@@H]2NC(=O)[C@@H]3CSCCN32)c1 ZINC000270830747 352992099 /nfs/dbraw/zinc/99/20/99/352992099.db2.gz UFCNTPOLCWGMNT-CMPLNLGQSA-N -1 3 280.349 0.947 20 10 CCCDHM CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])C[C@@H]1O ZINC000129666269 260389626 /nfs/dbraw/zinc/38/96/26/260389626.db2.gz DEBBCENZBPXVNO-ZJUUUORDSA-N -1 3 251.282 0.987 20 10 CCCDHM CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000194338395 389093539 /nfs/dbraw/zinc/09/35/39/389093539.db2.gz DERCFCSAAYOMJZ-QMMMGPOBSA-N -1 3 266.297 0.552 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H](CO)[C@H]2CCOC2)c([O-])c1O ZINC000281810692 389624588 /nfs/dbraw/zinc/62/45/88/389624588.db2.gz NJKGMHJNURNSQF-WDEREUQCSA-N -1 3 295.335 0.781 20 10 CCCDHM Cc1ccc(C(=O)N2CCCC[C@H]2C(N)=O)c([O-])c1O ZINC000181948060 389696303 /nfs/dbraw/zinc/69/63/03/389696303.db2.gz NLOTVNRMCLVQNJ-JTQLQIEISA-N -1 3 278.308 0.886 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H](O)[C@H]2CCCO2)c([O-])c1O ZINC000529764032 390858742 /nfs/dbraw/zinc/85/87/42/390858742.db2.gz GFOQFPRZJXDDPZ-WDEREUQCSA-N -1 3 281.308 0.676 20 10 CCCDHM CCCN(CC(=O)NC)C(=O)c1cccc(O)c1[O-] ZINC000126327094 260350065 /nfs/dbraw/zinc/35/00/65/260350065.db2.gz XWMINMQZEIZHIL-UHFFFAOYSA-N -1 3 266.297 0.696 20 10 CCCDHM CCCNC(=O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177662364 261710530 /nfs/dbraw/zinc/71/05/30/261710530.db2.gz GBTNHYPVQAGHEV-UHFFFAOYSA-N -1 3 266.297 0.662 20 10 CCCDHM CN(C)C(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000126359785 264204002 /nfs/dbraw/zinc/20/40/02/264204002.db2.gz UZJRAGXAXYVPDV-UHFFFAOYSA-N -1 3 252.270 0.306 20 10 CCCDHM COC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280863211 522305759 /nfs/dbraw/zinc/30/57/59/522305759.db2.gz CKBRJQFFKOOTFR-RKDXNWHRSA-N -1 3 270.285 0.958 20 10 CCCDHM CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048923323 519897524 /nfs/dbraw/zinc/89/75/24/519897524.db2.gz PMXHAYNFJBIJTO-UHFFFAOYSA-N -1 3 272.326 0.904 20 10 CCCDHM COCC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000292146059 521969569 /nfs/dbraw/zinc/96/95/69/521969569.db2.gz ITBKVXGRCLMSMX-JTQLQIEISA-N -1 3 297.307 0.714 20 10 CCCDHM COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126488420 523712039 /nfs/dbraw/zinc/71/20/39/523712039.db2.gz QDKPFYHLDWLTOB-MRVPVSSYSA-N -1 3 265.265 0.733 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)c([O-])c1O ZINC000281810688 526173055 /nfs/dbraw/zinc/17/30/55/526173055.db2.gz NJKGMHJNURNSQF-MNOVXSKESA-N -1 3 295.335 0.781 20 10 CCCDHM Cc1ccc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c([O-])c1O ZINC000780984793 581130542 /nfs/dbraw/zinc/13/05/42/581130542.db2.gz YKNNWVVQQMRPCR-VHSXEESVSA-N -1 3 281.308 0.628 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CCN1CCO ZINC000779484736 581187757 /nfs/dbraw/zinc/18/77/57/581187757.db2.gz GRWGTJOVUNQPJZ-SECBINFHSA-N -1 3 270.354 0.592 20 10 CCCDHM NC(=O)CCn1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790740865 581196823 /nfs/dbraw/zinc/19/68/23/581196823.db2.gz KVXSFPZNHCNBGL-UHFFFAOYSA-N -1 3 290.279 0.422 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H]2CCCS2(=O)=O)c([O-])c1O ZINC000780984577 581254547 /nfs/dbraw/zinc/25/45/47/581254547.db2.gz YEWUMODWKSNOGW-VIFPVBQESA-N -1 3 299.348 0.713 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H](C)S(C)(=O)=O)c([O-])c1O ZINC000780995955 581255148 /nfs/dbraw/zinc/25/51/48/581255148.db2.gz WKBREJIQCQJIRQ-QMMMGPOBSA-N -1 3 287.337 0.569 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](CO)c2cnn(C)c2)c([O-])c1O ZINC000780993539 581255237 /nfs/dbraw/zinc/25/52/37/581255237.db2.gz ROPYFYHCMSBYMY-NSHDSACASA-N -1 3 291.307 0.603 20 10 CCCDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](O)C2)c([O-])c1O ZINC000781009259 581256078 /nfs/dbraw/zinc/25/60/78/581256078.db2.gz VYBXMDKZSOMEQH-SCZZXKLOSA-N -1 3 251.282 0.859 20 10 CCCDHM CCOC(=O)[C@H](CO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000782760217 581319962 /nfs/dbraw/zinc/31/99/62/581319962.db2.gz PRYCWLAXJQRVQR-VIFPVBQESA-N -1 3 283.280 0.060 20 10 CCCDHM COc1cccc([O-])c1CN1CCNC(=O)CC1 ZINC000769325890 581684349 /nfs/dbraw/zinc/68/43/49/581684349.db2.gz CKKGBUMNZUZGJJ-UHFFFAOYSA-N -1 3 250.298 0.723 20 10 CCCDHM COc1cccc([O-])c1CN1CCO[C@H](CNC(C)=O)C1 ZINC000769447068 581689302 /nfs/dbraw/zinc/68/93/02/581689302.db2.gz RETSYXOACVRABJ-GFCCVEGCSA-N -1 3 294.351 0.738 20 10 CCCDHM CCOC(=O)[C@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000741293377 581744617 /nfs/dbraw/zinc/74/46/17/581744617.db2.gz DYODPJHDNLLKKA-SECBINFHSA-N -1 3 285.321 0.858 20 10 CCCDHM O=C(N[C@H]1CCCCNC1=O)c1cc([O-])cs1 ZINC000731869933 581785234 /nfs/dbraw/zinc/78/52/34/581785234.db2.gz YXEVFVFTTVAGAB-QMMMGPOBSA-N -1 3 254.311 0.852 20 10 CCCDHM NC(=O)[C@H]1CC[C@@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000760147618 581845607 /nfs/dbraw/zinc/84/56/07/581845607.db2.gz IJRMQPDUSDZBCZ-JGVFFNPUSA-N -1 3 270.310 0.216 20 10 CCCDHM Cc1nnc(CNC(=O)c2cc([O-])cs2)n1C ZINC000733364552 581903250 /nfs/dbraw/zinc/90/32/50/581903250.db2.gz KUVXMLJHYZOUJZ-UHFFFAOYSA-N -1 3 252.299 0.821 20 10 CCCDHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000775618933 582032683 /nfs/dbraw/zinc/03/26/83/582032683.db2.gz NOSKDGSETMUTDU-UWVGGRQHSA-N -1 3 298.364 0.819 20 10 CCCDHM COCC(=O)N1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000768249782 582105208 /nfs/dbraw/zinc/10/52/08/582105208.db2.gz KNLYNOSXWLUDNI-UHFFFAOYSA-N -1 3 294.351 0.691 20 10 CCCDHM CCN(CC(=O)NC)Cc1c([O-])cccc1OC ZINC000768302656 582105438 /nfs/dbraw/zinc/10/54/38/582105438.db2.gz OVLKKXAUYACPFZ-UHFFFAOYSA-N -1 3 252.314 0.969 20 10 CCCDHM CC(C)C(=O)N[C@@H](CO)C(=O)NCc1c([O-])cccc1F ZINC000928704907 613913993 /nfs/dbraw/zinc/91/39/93/613913993.db2.gz AZRWEZKMZLXSRS-NSHDSACASA-N -1 3 298.314 0.281 20 10 CCCDHM CCN(OC)C(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000844065823 615075068 /nfs/dbraw/zinc/07/50/68/615075068.db2.gz MNPUQHMMHQADLJ-UHFFFAOYSA-N -1 3 268.269 0.238 20 10 CCCDHM CCOC(=O)C[C@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928708689 615214057 /nfs/dbraw/zinc/21/40/57/615214057.db2.gz QEMFFEVEUZIJIP-NSHDSACASA-N -1 3 285.271 0.462 20 10 CCCDHM CN1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928712717 616413331 /nfs/dbraw/zinc/41/33/31/616413331.db2.gz XLBHIZLXNMXCTR-MRVPVSSYSA-N -1 3 266.272 0.626 20 10 CCCDHM COCCONC(=O)NCc1c([O-])cccc1F ZINC000922249255 616577388 /nfs/dbraw/zinc/57/73/88/616577388.db2.gz HNKSLDRNFLBTJE-UHFFFAOYSA-N -1 3 258.249 0.909 20 10 CCCDHM COC(=O)[C@H]1CCN1C(=O)c1cccc(O)c1[O-] ZINC000888064675 616671561 /nfs/dbraw/zinc/67/15/61/616671561.db2.gz PASMLKYTEUBAAD-MRVPVSSYSA-N -1 3 251.238 0.485 20 10 CCCDHM COCc1nc(C(=O)NCc2c([O-])cccc2F)n(C)n1 ZINC000902943761 616927991 /nfs/dbraw/zinc/92/79/91/616927991.db2.gz BFFVYKRVSSKDIT-UHFFFAOYSA-N -1 3 294.286 0.736 20 10 CCCDHM C[C@@]1(CO)C[C@@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895323733 632056126 /nfs/dbraw/zinc/05/61/26/632056126.db2.gz GTZSDCJVIVOTOO-MFKMUULPSA-N -1 3 273.279 0.988 20 10 CCCDHM C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922350559 639662946 /nfs/dbraw/zinc/66/29/46/639662946.db2.gz IFRWFKWBNIVYPT-KWQFWETISA-N -1 3 295.314 0.998 20 10 CCCDHM NC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000837136129 642723141 /nfs/dbraw/zinc/72/31/41/642723141.db2.gz XEYNYVQTYLTVTA-SFYZADRCSA-N -1 3 264.281 0.482 20 10 CCCDHM O=C(NC[C@H]1CN(C2CC2)C(=O)O1)c1cccc(O)c1[O-] ZINC000848365263 643628095 /nfs/dbraw/zinc/62/80/95/643628095.db2.gz WNZUNELQYMDQPW-VIFPVBQESA-N -1 3 292.291 0.811 20 10 CCCDHM Cn1ncnc1CCCNC(=O)c1cccc(O)c1[O-] ZINC000862087938 644972560 /nfs/dbraw/zinc/97/25/60/644972560.db2.gz XFBPWCXIBYOYHP-UHFFFAOYSA-N -1 3 276.296 0.589 20 10 CCCDHM [O-]c1c(CN2CC[C@H](O)[C@@H](CO)C2)ccc(F)c1F ZINC000877592668 646826652 /nfs/dbraw/zinc/82/66/52/646826652.db2.gz RPARWFSQUMAPCX-KOLCDFICSA-N -1 3 273.279 0.846 20 10 CCCDHM C[C@H]1CS(=O)(=O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000886817011 648018589 /nfs/dbraw/zinc/01/85/89/648018589.db2.gz DCUOAXBSJNMYLN-VIFPVBQESA-N -1 3 299.348 0.747 20 10 CCCDHM C[C@@]1(O)COCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447867 805802431 /nfs/dbraw/zinc/80/24/31/805802431.db2.gz XIKSIZBDSXJRSZ-AWEZNQCLSA-N -1 3 281.308 0.674 20 10 CCCDHM C[C@@]1(O)COCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447867 805802441 /nfs/dbraw/zinc/80/24/41/805802441.db2.gz XIKSIZBDSXJRSZ-AWEZNQCLSA-N -1 3 281.308 0.674 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001231447287 805803280 /nfs/dbraw/zinc/80/32/80/805803280.db2.gz RDETYGHYSFXMGF-NEPJUHHUSA-N -1 3 281.308 0.266 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001231447287 805803290 /nfs/dbraw/zinc/80/32/90/805803290.db2.gz RDETYGHYSFXMGF-NEPJUHHUSA-N -1 3 281.308 0.266 20 10 CCCDHM CNC(=O)CC[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452249 805806767 /nfs/dbraw/zinc/80/67/67/805806767.db2.gz IOGPWFLUADLZHP-UHFFFAOYSA-N -1 3 266.297 0.658 20 10 CCCDHM CNC(=O)CC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452249 805806774 /nfs/dbraw/zinc/80/67/74/805806774.db2.gz IOGPWFLUADLZHP-UHFFFAOYSA-N -1 3 266.297 0.658 20 10 CCCDHM O=C([O-])c1ccc(O)c(CN2CCN3CCOC[C@@H]3C2)c1 ZINC001231560375 805816244 /nfs/dbraw/zinc/81/62/44/805816244.db2.gz IEUVWVWDICHILV-ZDUSSCGKSA-N -1 3 292.335 0.607 20 10 CCCDHM CN(Cc1cc(F)cc(Cl)c1[O-])C[C@@H](O)CO ZINC001237801794 806718642 /nfs/dbraw/zinc/71/86/42/806718642.db2.gz WNLXESQREADDNH-SECBINFHSA-N -1 3 263.696 0.970 20 10 CCCDHM COC(=O)[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC001140056215 799878013 /nfs/dbraw/zinc/87/80/13/799878013.db2.gz MMZBJYCWXWWYTK-NSHDSACASA-N -1 3 282.271 0.005 20 10 CCCDHM CN(CCc1ncon1)C(=O)c1cccc(O)c1[O-] ZINC001156776066 801235398 /nfs/dbraw/zinc/23/53/98/801235398.db2.gz QRVUIXQUPWEFAJ-UHFFFAOYSA-N -1 3 263.253 0.796 20 10 CCCDHM CCn1cc(NC(=O)c2cccc(O)c2[O-])c(C(N)=O)n1 ZINC001160253838 801924473 /nfs/dbraw/zinc/92/44/73/801924473.db2.gz FLPJSCWCEJVPHH-UHFFFAOYSA-N -1 3 290.279 0.665 20 10 CCCDHM C[C@@]1(NCc2cc([N+](=O)[O-])ccc2[O-])CCNC1=O ZINC001203829276 803046546 /nfs/dbraw/zinc/04/65/46/803046546.db2.gz BOFBRDYOCODJOC-GFCCVEGCSA-N -1 3 265.269 0.669 20 10 CCCDHM N[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)C[C@H]1F ZINC001204830166 803102408 /nfs/dbraw/zinc/10/24/08/803102408.db2.gz MKBVOLPTCGDVSP-ZJUUUORDSA-N -1 3 254.261 0.571 20 10 CCCDHM Cc1nnc(CNC(=O)NCc2c([O-])cccc2F)[nH]1 ZINC001251442084 807683240 /nfs/dbraw/zinc/68/32/40/807683240.db2.gz VRGKRWOMQWXGKZ-UHFFFAOYSA-N -1 3 279.275 0.957 20 10 CCCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)NC ZINC000697358408 814848396 /nfs/dbraw/zinc/84/83/96/814848396.db2.gz MDCPTCVNIGRVJY-MRVPVSSYSA-N -1 3 252.270 0.352 20 10 CCCDHM CO[N-]C(=O)C[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001184090533 844151448 /nfs/dbraw/zinc/15/14/48/844151448.db2.gz ZDAXNQPUSHYURY-UHFFFAOYSA-N -1 3 254.286 0.476 20 10 CCCDHM N[C@H]1CN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C[C@H]1F ZINC001157545273 837107480 /nfs/dbraw/zinc/10/74/80/837107480.db2.gz NXEOAWQOYAHFNA-MNOVXSKESA-N -1 3 290.298 0.287 20 10 CCCDHM Cn1ccnc1CCNC(=O)c1cccc(O)c1[O-] ZINC000126364510 840251605 /nfs/dbraw/zinc/25/16/05/840251605.db2.gz HWWYFAOPCYKFJI-UHFFFAOYSA-N -1 3 261.281 0.804 20 10 CCCDHM Nc1cnc(NC(=O)c2cc(O)c([O-])c(O)c2)cn1 ZINC001148579871 840850072 /nfs/dbraw/zinc/85/00/72/840850072.db2.gz CEVNVZYWTXBZAJ-UHFFFAOYSA-N -1 3 262.225 0.428 20 10 CCCDHM CC(C)(C)NC(=O)CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590426 840856845 /nfs/dbraw/zinc/85/68/45/840856845.db2.gz JKZJQUWUABVCIR-UHFFFAOYSA-N -1 3 296.323 0.838 20 10 CCCDHM COC[C@@](C)(CO)NC(=O)c1cccc(O)c1[O-] ZINC000716818373 841684875 /nfs/dbraw/zinc/68/48/75/841684875.db2.gz LPHLUIFIIVGGMN-GFCCVEGCSA-N -1 3 255.270 0.225 20 10 CCCDHM COc1nn(C)cc1CNC(=O)c1cccc(O)c1[O-] ZINC001180307430 843139620 /nfs/dbraw/zinc/13/96/20/843139620.db2.gz NRVXPFRVSNSGHM-UHFFFAOYSA-N -1 3 277.280 0.770 20 10 CCCDHM CN1CCO[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001276009474 848889763 /nfs/dbraw/zinc/88/97/63/848889763.db2.gz UZGCPRZVCIPSKV-JSGCOSHPSA-N -1 3 292.335 0.605 20 10 CCCDHM CN1CCO[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001276009474 848889767 /nfs/dbraw/zinc/88/97/67/848889767.db2.gz UZGCPRZVCIPSKV-JSGCOSHPSA-N -1 3 292.335 0.605 20 10 CCCDHM CN(C)c1cc(F)c(CN[C@@H](CO)C(=O)[O-])cc1F ZINC001119613565 856777981 /nfs/dbraw/zinc/77/79/81/856777981.db2.gz KTKPTDOJBLUKCB-JTQLQIEISA-N -1 3 274.267 0.566 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1c1ncon1 ZINC001295078215 906672146 /nfs/dbraw/zinc/67/21/46/906672146.db2.gz NEKQUNAXTDRJBY-SECBINFHSA-N -1 3 291.263 0.695 20 10 CCCDHM COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc2c(cc1[O-])OCO2 ZINC000008107035 348010572 /nfs/dbraw/zinc/01/05/72/348010572.db2.gz YBZXFNBQGQHGQD-ZJUUUORDSA-N -1 3 295.291 0.229 20 10 CCCDHM O=C(NCc1nnc2n1CCC2)c1cccc(O)c1[O-] ZINC000040817147 348243435 /nfs/dbraw/zinc/24/34/35/348243435.db2.gz ZIHOIHLKSXDTFB-UHFFFAOYSA-N -1 3 274.280 0.566 20 10 CCCDHM CCN1CC(=O)N[C@@H]1c1cc2c(cc1[O-])OCO2 ZINC000189866895 351705653 /nfs/dbraw/zinc/70/56/53/351705653.db2.gz VLCYAAFZCBRZFJ-LBPRGKRZSA-N -1 3 250.254 0.571 20 10 CCCDHM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cccc(O)c1[O-] ZINC000193157605 351814350 /nfs/dbraw/zinc/81/43/50/351814350.db2.gz HUOATBKHGKXBCI-SECBINFHSA-N -1 3 290.319 0.839 20 10 CCCDHM COC[C@](C)(NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000272718566 353088194 /nfs/dbraw/zinc/08/81/94/353088194.db2.gz GRDBXHMRMQYFEZ-AWEZNQCLSA-N -1 3 297.307 0.714 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c([O-])c1O ZINC000293673883 388986751 /nfs/dbraw/zinc/98/67/51/388986751.db2.gz AHAVQNPSPGOJGV-WPRPVWTQSA-N -1 3 299.348 0.712 20 10 CCCDHM Cc1ccc(C(=O)NCCCc2cnn(C)n2)c([O-])c1O ZINC000293839216 388988589 /nfs/dbraw/zinc/98/85/89/388988589.db2.gz HFBCJQLLRSCGMK-UHFFFAOYSA-N -1 3 290.323 0.897 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H]2C(=O)NCC[C@H]2C)c([O-])c1O ZINC000195164675 389117697 /nfs/dbraw/zinc/11/76/97/389117697.db2.gz BLXIVGGZSNIJNP-XCBNKYQSSA-N -1 3 278.308 0.661 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C(N)=O)C(C)C)c([O-])c1O ZINC000177682884 389590305 /nfs/dbraw/zinc/59/03/05/389590305.db2.gz QHNCDGYDWWEOEF-VIFPVBQESA-N -1 3 266.297 0.646 20 10 CCCDHM Cc1ccc(C(=O)N(C)CC(=O)NC2CC2)c([O-])c1O ZINC000179398961 389655517 /nfs/dbraw/zinc/65/55/17/389655517.db2.gz YBYWGKMWSKMHHT-UHFFFAOYSA-N -1 3 278.308 0.757 20 10 CCCDHM CS(=O)(=O)N1CCCN(Cc2ccccc2[O-])CC1 ZINC000179555502 389659088 /nfs/dbraw/zinc/65/90/88/389659088.db2.gz QDAVFMPNPVSUCH-UHFFFAOYSA-N -1 3 284.381 0.860 20 10 CCCDHM C[C@H]1CN(Cc2ccccc2[O-])CCN1S(C)(=O)=O ZINC000180906982 389677753 /nfs/dbraw/zinc/67/77/53/389677753.db2.gz OYDBPFHNBISMKR-NSHDSACASA-N -1 3 284.381 0.858 20 10 CCCDHM COCCN1CCN(Cc2ccccc2[O-])CC1=O ZINC000181573010 389689401 /nfs/dbraw/zinc/68/94/01/389689401.db2.gz XZDSVDOBXHMHEP-UHFFFAOYSA-N -1 3 264.325 0.683 20 10 CCCDHM C[C@H](CC[S@](C)=O)NC(=O)c1cccc(O)c1[O-] ZINC000126554123 264221604 /nfs/dbraw/zinc/22/16/04/264221604.db2.gz TUCIAMXXTZWJLQ-NTCNTBNZSA-N -1 3 271.338 0.985 20 10 CCCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])C[C@H]1O ZINC000279185170 327545035 /nfs/dbraw/zinc/54/50/35/327545035.db2.gz BYJOQJIYWGRPCQ-SNVBAGLBSA-N -1 3 251.282 0.941 20 10 CCCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])C(N)=O ZINC000189356312 329380041 /nfs/dbraw/zinc/38/00/41/329380041.db2.gz VYPOVMCZEJFVEW-SECBINFHSA-N -1 3 252.270 0.338 20 10 CCCDHM CCNC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000279332005 521740201 /nfs/dbraw/zinc/74/02/01/521740201.db2.gz QHAQPKFKCTVVJA-SECBINFHSA-N -1 3 293.323 0.631 20 10 CCCDHM CNS(=O)(=O)CCN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276925980 522206336 /nfs/dbraw/zinc/20/63/36/522206336.db2.gz NIOKHPFJKDIXBB-ZETCQYMHSA-N -1 3 294.323 0.870 20 10 CCCDHM COC[C@](C)(CCO)NC(=O)c1cccc(O)c1[O-] ZINC000275231226 522881802 /nfs/dbraw/zinc/88/18/02/522881802.db2.gz DTRJFYNJHUSLDL-ZDUSSCGKSA-N -1 3 269.297 0.615 20 10 CCCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CCN1CCO ZINC000779484740 581187764 /nfs/dbraw/zinc/18/77/64/581187764.db2.gz GRWGTJOVUNQPJZ-VIFPVBQESA-N -1 3 270.354 0.592 20 10 CCCDHM Cc1ccc(C(=O)NC2(C(N)=O)CCC2)c([O-])c1O ZINC000780993250 581254989 /nfs/dbraw/zinc/25/49/89/581254989.db2.gz JTRPYERWBUQDGC-UHFFFAOYSA-N -1 3 264.281 0.544 20 10 CCCDHM Cc1ccc(C(=O)N2C[C@H](O)[C@@H](C)C2)c([O-])c1O ZINC000781009263 581255965 /nfs/dbraw/zinc/25/59/65/581255965.db2.gz VYBXMDKZSOMEQH-WPRPVWTQSA-N -1 3 251.282 0.859 20 10 CCCDHM CN(C)c1noc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000793852882 581315855 /nfs/dbraw/zinc/31/58/55/581315855.db2.gz STQCIOHQVDQZBH-UHFFFAOYSA-N -1 3 278.268 0.477 20 10 CCCDHM COc1cccc([O-])c1CN1CC[C@@H](S(N)(=O)=O)C1 ZINC000785984052 581425895 /nfs/dbraw/zinc/42/58/95/581425895.db2.gz CMUJPYHBMQSZAY-SECBINFHSA-N -1 3 286.353 0.264 20 10 CCCDHM CCOC(=O)[C@@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000741293378 581744907 /nfs/dbraw/zinc/74/49/07/581744907.db2.gz DYODPJHDNLLKKA-VIFPVBQESA-N -1 3 285.321 0.858 20 10 CCCDHM CCNC(=O)CN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731868777 581787611 /nfs/dbraw/zinc/78/76/11/581787611.db2.gz UOORLORYPRYPCV-UHFFFAOYSA-N -1 3 297.380 0.348 20 10 CCCDHM CC(=O)NCC[N@@H+](Cc1cc(F)ccc1[O-])[C@H](C)C(=O)[O-] ZINC000819769819 613737749 /nfs/dbraw/zinc/73/77/49/613737749.db2.gz AZEPATNVURWOPW-SECBINFHSA-N -1 3 298.314 0.943 20 10 CCCDHM CC(=O)NCC[N@H+](Cc1cc(F)ccc1[O-])[C@H](C)C(=O)[O-] ZINC000819769819 613737746 /nfs/dbraw/zinc/73/77/46/613737746.db2.gz AZEPATNVURWOPW-SECBINFHSA-N -1 3 298.314 0.943 20 10 CCCDHM CCOC(=O)NCC(=O)NCc1c([O-])cccc1F ZINC000928712791 615244266 /nfs/dbraw/zinc/24/42/66/615244266.db2.gz ZDLPNMNGWDVMCW-UHFFFAOYSA-N -1 3 270.260 0.894 20 10 CCCDHM CN(C)S(=O)(=O)CC(=O)NCc1c([O-])cccc1F ZINC000928707141 615962229 /nfs/dbraw/zinc/96/22/29/615962229.db2.gz AWMFFGWMGINDFX-UHFFFAOYSA-N -1 3 290.316 0.039 20 10 CCCDHM CN1C[C@H](CNC(=O)NCc2c([O-])cccc2F)CC1=O ZINC000923304029 616433362 /nfs/dbraw/zinc/43/33/62/616433362.db2.gz BNHXAIKRGQZWNE-VIFPVBQESA-N -1 3 295.314 0.809 20 10 CCCDHM COCC(=O)N(C)CC(=O)NCc1c([O-])cccc1F ZINC000928705865 616533048 /nfs/dbraw/zinc/53/30/48/616533048.db2.gz OJCVNXXQFPQKJI-UHFFFAOYSA-N -1 3 284.287 0.252 20 10 CCCDHM CNC(=O)NCCC(=O)NCc1c([O-])cccc1F ZINC000928706837 616727034 /nfs/dbraw/zinc/72/70/34/616727034.db2.gz WFODUZIOUKEIKW-UHFFFAOYSA-N -1 3 269.276 0.467 20 10 CCCDHM COC(=O)NCCC(=O)NCc1c([O-])cccc1F ZINC000928712743 616877100 /nfs/dbraw/zinc/87/71/00/616877100.db2.gz YRDDIDLFRVGATN-UHFFFAOYSA-N -1 3 270.260 0.894 20 10 CCCDHM COCCN(C)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000844664388 616971664 /nfs/dbraw/zinc/97/16/64/616971664.db2.gz RLYGKCCHRYKPHT-UHFFFAOYSA-N -1 3 296.295 0.905 20 10 CCCDHM CO[C@]1(CNC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000126541737 617136833 /nfs/dbraw/zinc/13/68/33/617136833.db2.gz QFHZGHFZGXVVHA-ZDUSSCGKSA-N -1 3 267.281 0.633 20 10 CCCDHM CC1(C)OC[C@@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000229413287 637113544 /nfs/dbraw/zinc/11/35/44/637113544.db2.gz SKLQJJOZBCFSLI-MRVPVSSYSA-N -1 3 267.281 0.979 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)CN1CCO ZINC000841456072 638851225 /nfs/dbraw/zinc/85/12/25/638851225.db2.gz CSRXYTCHRQHRKS-MNOVXSKESA-N -1 3 294.351 0.625 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000282017619 651017209 /nfs/dbraw/zinc/01/72/09/651017209.db2.gz KXWMWQXFEQNWIX-SCZZXKLOSA-N -1 3 292.291 0.668 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)CC12CCC2 ZINC000874918475 646497405 /nfs/dbraw/zinc/49/74/05/646497405.db2.gz MXUIUWVMSCDYIG-UHFFFAOYSA-N -1 3 290.319 0.983 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCS1(=O)=O ZINC000928706023 648657910 /nfs/dbraw/zinc/65/79/10/648657910.db2.gz NSRPOSVBMAQZMB-LLVKDONJSA-N -1 3 287.312 0.725 20 10 CCCDHM O=C(CN1CCOCC1=O)NCc1c([O-])cccc1F ZINC000928708984 648659490 /nfs/dbraw/zinc/65/94/90/648659490.db2.gz UNXBHTFLTFQYBJ-UHFFFAOYSA-N -1 3 282.271 0.006 20 10 CCCDHM O=C(CCn1ccnn1)NCc1c([O-])cccc1F ZINC000928707558 648659582 /nfs/dbraw/zinc/65/95/82/648659582.db2.gz FPKRSRUNFIAPGB-UHFFFAOYSA-N -1 3 264.260 0.829 20 10 CCCDHM NC(=O)c1coc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000193169497 649529347 /nfs/dbraw/zinc/52/93/47/649529347.db2.gz DRYHICZWCAIGMH-UHFFFAOYSA-N -1 3 276.248 0.720 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c([O-])c1 ZINC001231446307 805804039 /nfs/dbraw/zinc/80/40/39/805804039.db2.gz GPAZKDWEUNLWGE-CMPLNLGQSA-N -1 3 269.272 0.995 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c([O-])c1 ZINC001231446307 805804048 /nfs/dbraw/zinc/80/40/48/805804048.db2.gz GPAZKDWEUNLWGE-CMPLNLGQSA-N -1 3 269.272 0.995 20 10 CCCDHM CN1CCN(C2CN(Cc3cc(F)ccc3[O-])C2)CC1=O ZINC001140055409 799877732 /nfs/dbraw/zinc/87/77/32/799877732.db2.gz WINUMGVSHYRELX-UHFFFAOYSA-N -1 3 293.342 0.490 20 10 CCCDHM CN1C[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H](C1)O2 ZINC001269607838 813444798 /nfs/dbraw/zinc/44/47/98/813444798.db2.gz LLVDCBIJYWRQGU-AOOOYVTPSA-N -1 3 278.308 0.253 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H](O)[C@H](CO)C1 ZINC001142509099 815068749 /nfs/dbraw/zinc/06/87/49/815068749.db2.gz WUJCOAXJNMMXKM-QPUJVOFHSA-N -1 3 259.252 0.455 20 10 CCCDHM O=C(CNCc1cc(F)cc(F)c1[O-])N1CCOCC1 ZINC000708393550 819775127 /nfs/dbraw/zinc/77/51/27/819775127.db2.gz HANMQWRMGKQSIC-UHFFFAOYSA-N -1 3 286.278 0.619 20 10 CCCDHM C[C@H]1COCCN1CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590245 840854825 /nfs/dbraw/zinc/85/48/25/840854825.db2.gz FWWJOIAKDWASSY-VIFPVBQESA-N -1 3 296.323 0.254 20 10 CCCDHM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148591233 840855135 /nfs/dbraw/zinc/85/51/35/840855135.db2.gz VPGHLBGNUVUYQI-UWVGGRQHSA-N -1 3 267.281 0.693 20 10 CCCDHM CCN1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC1=O ZINC000391663868 854069610 /nfs/dbraw/zinc/06/96/10/854069610.db2.gz RDECGRJJCHVUIG-QMMMGPOBSA-N -1 3 264.281 0.448 20 10 CCCDHM COCCN(CC(=O)OC)Cc1cc2c(cc1[O-])OCO2 ZINC000271199774 353031927 /nfs/dbraw/zinc/03/19/27/353031927.db2.gz STYLJLBSHXPWIL-UHFFFAOYSA-N -1 3 297.307 0.742 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](C)Cn2cncn2)c([O-])c1O ZINC000271317713 353033211 /nfs/dbraw/zinc/03/32/11/353033211.db2.gz WQCQUNGWWDFAPW-VIFPVBQESA-N -1 3 276.296 0.816 20 10 CCCDHM COCCN1CN(Cc2cc3c(cc2[O-])OCO3)CC1=O ZINC000283115828 353482993 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581201441 /nfs/dbraw/zinc/20/14/41/581201441.db2.gz RBMIHPOJAAMZQV-UHFFFAOYSA-N -1 3 260.253 0.400 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CN(C)CCO1 ZINC000790898454 581202017 /nfs/dbraw/zinc/20/20/17/581202017.db2.gz XBEAVWDIDBPUSA-CABZTGNLSA-N -1 3 280.324 0.547 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CN(C)CCO1 ZINC000790898453 581202052 /nfs/dbraw/zinc/20/20/52/581202052.db2.gz XBEAVWDIDBPUSA-BXKDBHETSA-N -1 3 280.324 0.547 20 10 CCCDHM Cc1ccc(C(=O)N2CCCNC(=O)C2)c([O-])c1O ZINC000780917936 581249506 /nfs/dbraw/zinc/24/95/06/581249506.db2.gz BOYIHEFQGXPGRV-UHFFFAOYSA-N -1 3 264.281 0.368 20 10 CCCDHM Cc1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C)c([O-])c1O ZINC000783760435 581360026 /nfs/dbraw/zinc/36/00/26/581360026.db2.gz XHTOLVDMQUXHLM-VIFPVBQESA-N -1 3 278.308 0.709 20 10 CCCDHM C[C@H]1CN(C)C(=O)CN1C(=O)c1cc([O-])cs1 ZINC000783933377 581367869 /nfs/dbraw/zinc/36/78/69/581367869.db2.gz QRZUYYYGRVAZGR-ZETCQYMHSA-N -1 3 254.311 0.756 20 10 CCCDHM COc1cccc([O-])c1CN1C[C@@H](C)O[C@H](CO)C1 ZINC000787417527 581469986 /nfs/dbraw/zinc/46/99/86/581469986.db2.gz OIBNXNQRTVXMRH-MNOVXSKESA-N -1 3 267.325 0.982 20 10 CCCDHM CCNC(=O)CN(C)Cc1c([O-])cccc1OC ZINC000768916075 581662488 /nfs/dbraw/zinc/66/24/88/581662488.db2.gz RECMLJWGTZEOJW-UHFFFAOYSA-N -1 3 252.314 0.969 20 10 CCCDHM CCOc1ccc(CN2CCO[C@H](CO)C2)c([O-])c1 ZINC000769395512 581687279 /nfs/dbraw/zinc/68/72/79/581687279.db2.gz IKGZFKIWBLVABN-ZDUSSCGKSA-N -1 3 267.325 0.984 20 10 CCCDHM CC(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731863794 581784207 /nfs/dbraw/zinc/78/42/07/581784207.db2.gz FVJMLFVESYLYTP-UHFFFAOYSA-N -1 3 254.311 0.758 20 10 CCCDHM CCS(=O)(=O)NCCNC(=O)c1cc([O-])cs1 ZINC000732271563 581812619 /nfs/dbraw/zinc/81/26/19/581812619.db2.gz JZYZBHJOOJXUND-UHFFFAOYSA-N -1 3 278.355 0.123 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCS(=O)(=O)C1 ZINC000762658610 581955420 /nfs/dbraw/zinc/95/54/20/581955420.db2.gz PIKUIQDPALLSEA-SECBINFHSA-N -1 3 299.348 0.605 20 10 CCCDHM NC(=O)N[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000763224903 581991189 /nfs/dbraw/zinc/99/11/89/581991189.db2.gz XLWHYPSPNJQUFS-ZCFIWIBFSA-N -1 3 255.299 0.337 20 10 CCCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@]2(CCO)CCOC2)c1 ZINC000775028560 582009937 /nfs/dbraw/zinc/00/99/37/582009937.db2.gz DCLDOYHDMAPIPO-ZDUSSCGKSA-N -1 3 282.296 0.932 20 10 CCCDHM CO[C@@]1(CNC(=O)c2ccc(C)c(O)c2[O-])CCOC1 ZINC000764448995 582047263 /nfs/dbraw/zinc/04/72/63/582047263.db2.gz AZRXBWKYUPNNKB-CQSZACIVSA-N -1 3 281.308 0.942 20 10 CCCDHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000750539048 582050722 /nfs/dbraw/zinc/05/07/22/582050722.db2.gz RPWDMOFCXVWUBV-QMMMGPOBSA-N -1 3 290.366 0.217 20 10 CCCDHM CN1C(=S)N=NC1CNC(=O)c1cccc(O)c1[O-] ZINC000776346455 582069921 /nfs/dbraw/zinc/06/99/21/582069921.db2.gz SOFYFWPYMUYNTP-UHFFFAOYSA-N -1 3 280.309 0.445 20 10 CCCDHM C[C@H](C(=O)[O-])[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000819889049 598097688 /nfs/dbraw/zinc/09/76/88/598097688.db2.gz JTSZOETZAHVEQY-HQJQHLMTSA-N -1 3 267.281 0.723 20 10 CCCDHM C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000819889049 598097692 /nfs/dbraw/zinc/09/76/92/598097692.db2.gz JTSZOETZAHVEQY-HQJQHLMTSA-N -1 3 267.281 0.723 20 10 CCCDHM CC1(C)COC(=O)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000837638878 614713763 /nfs/dbraw/zinc/71/37/63/614713763.db2.gz WCYNTNNCXQVKIX-JTQLQIEISA-N -1 3 265.265 0.779 20 10 CCCDHM CN1C(=O)CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000830181414 616128612 /nfs/dbraw/zinc/12/86/12/616128612.db2.gz ZSKSVMJHJFTVMY-SNVBAGLBSA-N -1 3 266.272 0.768 20 10 CCCDHM CN1C[C@H](O)C[C@]1(C)C(=O)NCc1c([O-])cccc1F ZINC000928709714 616500942 /nfs/dbraw/zinc/50/09/42/616500942.db2.gz DOWWKILIDMHFLH-YMTOWFKASA-N -1 3 282.315 0.603 20 10 CCCDHM COC(=O)[C@H]1[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]21 ZINC000816960372 616524264 /nfs/dbraw/zinc/52/42/64/616524264.db2.gz ULXTUDIGQGISQI-JZYVYDRUSA-N -1 3 277.276 0.589 20 10 CCCDHM COC[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000886864400 616981811 /nfs/dbraw/zinc/98/18/11/616981811.db2.gz LLAUJWAQQHTDCN-SECBINFHSA-N -1 3 267.281 0.585 20 10 CCCDHM Cn1cc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)cn1 ZINC000893214209 625381423 /nfs/dbraw/zinc/38/14/23/625381423.db2.gz LOLXIEFBBWRQGY-SNAWJCMRSA-N -1 3 285.307 0.908 20 10 CCCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000060372649 623122956 /nfs/dbraw/zinc/12/29/56/623122956.db2.gz UMUKQGHCWZUQDX-UHFFFAOYSA-N -1 3 284.337 0.998 20 10 CCCDHM O=C(N[C@@H]1CCN(C2CCC2)C1=O)c1cccc(O)c1[O-] ZINC000863834224 645134425 /nfs/dbraw/zinc/13/44/25/645134425.db2.gz AHLWPGDJZNEIEQ-LLVKDONJSA-N -1 3 290.319 0.981 20 10 CCCDHM [O-]c1c(CN2CC[C@@H](O)[C@H](CO)C2)ccc(F)c1F ZINC000877592667 646826535 /nfs/dbraw/zinc/82/65/35/646826535.db2.gz RPARWFSQUMAPCX-GXSJLCMTSA-N -1 3 273.279 0.846 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCS1(=O)=O ZINC000928706024 648657805 /nfs/dbraw/zinc/65/78/05/648657805.db2.gz NSRPOSVBMAQZMB-NSHDSACASA-N -1 3 287.312 0.725 20 10 CCCDHM NC(=O)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000396827936 790541346 /nfs/dbraw/zinc/54/13/46/790541346.db2.gz OKXYHESVICTZBT-UHFFFAOYSA-N -1 3 279.296 0.371 20 10 CCCDHM O=C([O-])c1ccc(CN2CCOC[C@H](O)C2)c(O)c1 ZINC001231447177 805802318 /nfs/dbraw/zinc/80/23/18/805802318.db2.gz OTRGLPNOQPYNQO-LLVKDONJSA-N -1 3 267.281 0.284 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2CCOC[C@H](O)C2)c([O-])c1 ZINC001231447177 805802329 /nfs/dbraw/zinc/80/23/29/805802329.db2.gz OTRGLPNOQPYNQO-LLVKDONJSA-N -1 3 267.281 0.284 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2CCOC[C@H](O)C2)c([O-])c1 ZINC001231447177 805802339 /nfs/dbraw/zinc/80/23/39/805802339.db2.gz OTRGLPNOQPYNQO-LLVKDONJSA-N -1 3 267.281 0.284 20 10 CCCDHM NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449176 805803589 /nfs/dbraw/zinc/80/35/89/805803589.db2.gz WMEKFZZTTQCQRW-NSHDSACASA-N -1 3 278.308 0.788 20 10 CCCDHM NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449176 805803598 /nfs/dbraw/zinc/80/35/98/805803598.db2.gz WMEKFZZTTQCQRW-NSHDSACASA-N -1 3 278.308 0.788 20 10 CCCDHM NC(=O)[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231565011 805817854 /nfs/dbraw/zinc/81/78/54/805817854.db2.gz NESALWUKCDRYHA-SECBINFHSA-N -1 3 264.281 0.398 20 10 CCCDHM NC(=O)[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231565011 805817861 /nfs/dbraw/zinc/81/78/61/805817861.db2.gz NESALWUKCDRYHA-SECBINFHSA-N -1 3 264.281 0.398 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC001233332618 806043756 /nfs/dbraw/zinc/04/37/56/806043756.db2.gz RJBIQTDEFMQAOZ-LDYMZIIASA-N -1 3 273.279 0.846 20 10 CCCDHM O=C1CN(C2CN(Cc3c([O-])cccc3Cl)C2)CCN1 ZINC001140341537 799904449 /nfs/dbraw/zinc/90/44/49/799904449.db2.gz UVUHHICCRPULNI-UHFFFAOYSA-N -1 3 295.770 0.662 20 10 CCCDHM O=C(NC[C@@H](O)C1CCC1)c1cccc(O)c1[O-] ZINC000316287646 804685401 /nfs/dbraw/zinc/68/54/01/804685401.db2.gz KJOSATVWTKSHEH-LLVKDONJSA-N -1 3 251.282 0.989 20 10 CCCDHM CC(C)OC[C@H](O)CNCC(=O)c1ccc([O-])c(O)c1 ZINC001252695402 807944242 /nfs/dbraw/zinc/94/42/42/807944242.db2.gz FQNZQDHVASQJNO-LLVKDONJSA-N -1 3 283.324 0.656 20 10 CCCDHM CN1CC[C@@]2(CCCN2C(=O)c2cccc(O)c2[O-])C1=O ZINC001269687647 813472375 /nfs/dbraw/zinc/47/23/75/813472375.db2.gz YSIUAMYTROFCGN-HNNXBMFYSA-N -1 3 290.319 0.935 20 10 CCCDHM C[C@]1(CO)CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1O ZINC001148212189 840762001 /nfs/dbraw/zinc/76/20/01/840762001.db2.gz QEAIVYIJSMDGAH-SMDDNHRTSA-N -1 3 281.308 0.303 20 10 CCCDHM CC(C)(C)N(C[C@@H](O)CO)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581861 840847954 /nfs/dbraw/zinc/84/79/54/840847954.db2.gz DMNVNQMLNZWXPL-SECBINFHSA-N -1 3 299.323 0.397 20 10 CCCDHM Cn1ccnc1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581743 840850330 /nfs/dbraw/zinc/85/03/30/840850330.db2.gz ULYASJYZEFDTJS-UHFFFAOYSA-N -1 3 263.253 0.467 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCn2cnnc2C1 ZINC001148580189 840851339 /nfs/dbraw/zinc/85/13/39/840851339.db2.gz GACZBEPPQIHCGS-UHFFFAOYSA-N -1 3 276.252 0.051 20 10 CCCDHM CC(=O)[C@H]1CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148588272 840852948 /nfs/dbraw/zinc/85/29/48/840852948.db2.gz QFABLBLFLFYRIR-QMMMGPOBSA-N -1 3 265.265 0.855 20 10 CCCDHM CCOC(=O)C(C)(C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589862 840857446 /nfs/dbraw/zinc/85/74/46/840857446.db2.gz NXIVQMGEQJFFQE-UHFFFAOYSA-N -1 3 283.280 0.875 20 10 CCCDHM COCC(COC)NC(=O)c1cccc(O)c1[O-] ZINC000388443468 853975692 /nfs/dbraw/zinc/97/56/92/853975692.db2.gz HZUQLDVJFLFKRG-UHFFFAOYSA-N -1 3 255.270 0.489 20 10 CCCDHM O=C(N[C@H]1CC[C@@H](O)[C@@H](O)CC1)c1cccc(O)c1[O-] ZINC001303831055 908117018 /nfs/dbraw/zinc/11/70/18/908117018.db2.gz VVHZLQHLAZSPPN-GUDFOSOFSA-N -1 3 281.308 0.492 20 10 CCCDHM Cc1nc(C(=O)NCc2c([O-])cccc2F)n(C)n1 ZINC001353932098 925967013 /nfs/dbraw/zinc/96/70/13/925967013.db2.gz FUGPDLJORWXKDQ-UHFFFAOYSA-N -1 3 264.260 0.898 20 10 CCCDHM C[N@H+](CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1[O-] ZINC001598502843 992458323 /nfs/dbraw/zinc/45/83/23/992458323.db2.gz NWIXKEKPFXVCCB-UHFFFAOYSA-N -1 3 290.323 0.743 20 10 CCCDHM C[N@@H+](CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1[O-] ZINC001598502843 992458325 /nfs/dbraw/zinc/45/83/25/992458325.db2.gz NWIXKEKPFXVCCB-UHFFFAOYSA-N -1 3 290.323 0.743 20 10 CCCDHM CN(CC(=O)N1CCNC1=O)Cc1ccccc1[O-] ZINC000111235138 349768110 /nfs/dbraw/zinc/76/81/10/349768110.db2.gz VDNRQAJEBKXESV-UHFFFAOYSA-N -1 3 263.297 0.376 20 10 CCCDHM CSC[C@@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000230107160 352103264 /nfs/dbraw/zinc/10/32/64/352103264.db2.gz TUVCLSLNIFWJQG-LBPRGKRZSA-N -1 3 271.338 0.942 20 10 CCCDHM C[C@@H](CN(C)C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295267640 353892007 /nfs/dbraw/zinc/89/20/07/353892007.db2.gz DPPOXDWFRZTXAN-ZETCQYMHSA-N -1 3 256.277 0.917 20 10 CCCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2COC[C@H]2O)c1 ZINC000295720101 353914477 /nfs/dbraw/zinc/91/44/77/353914477.db2.gz VFRJSKIXBJFGLU-MWLCHTKSSA-N -1 3 254.242 0.150 20 10 CCCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H](O)[C@@H](O)C1 ZINC000294672761 199127622 /nfs/dbraw/zinc/12/76/22/199127622.db2.gz MHRQZHNXLRHZRP-PHIMTYICSA-N -1 3 261.680 0.722 20 10 CCCDHM Cc1ccc(C(=O)NCC2(CO)COC2)c([O-])c1O ZINC000272548426 263006407 /nfs/dbraw/zinc/00/64/07/263006407.db2.gz ALCKQRGBRBLWIW-UHFFFAOYSA-N -1 3 267.281 0.145 20 10 CCCDHM O=C(NOC[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000276484713 263037078 /nfs/dbraw/zinc/03/70/78/263037078.db2.gz RKGSIBXVYPALIT-QMMMGPOBSA-N -1 3 253.254 0.796 20 10 CCCDHM NS(=O)(=O)C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000369045355 267219273 /nfs/dbraw/zinc/21/92/73/267219273.db2.gz HHGVSCWLLJLSMC-UHFFFAOYSA-N -1 3 288.344 0.784 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN2CCOC[C@@H]2C1 ZINC000369123648 267222418 /nfs/dbraw/zinc/22/24/18/267222418.db2.gz AGDAUUHQUXKJHI-JTQLQIEISA-N -1 3 278.308 0.254 20 10 CCCDHM CS(=O)(=O)NCCCNC(=O)c1cc([O-])cs1 ZINC000732267823 581811702 /nfs/dbraw/zinc/81/17/02/581811702.db2.gz XXHOSJHJMBLOMW-UHFFFAOYSA-N -1 3 278.355 0.123 20 10 CCCDHM CNC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000182465369 329239812 /nfs/dbraw/zinc/23/98/12/329239812.db2.gz 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CC(C)NS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452322 613963568 /nfs/dbraw/zinc/96/35/68/613963568.db2.gz LSIVYCPBIUDJAH-UHFFFAOYSA-N -1 3 262.306 0.864 20 10 CCCDHM COC(=O)C1(O)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000877768930 616384794 /nfs/dbraw/zinc/38/47/94/616384794.db2.gz KEDNMCVXMLLZRA-UHFFFAOYSA-N -1 3 271.700 0.765 20 10 CCCDHM COC[C@@H](OC)C(=O)NCc1c([O-])cccc1F ZINC000928710143 616932535 /nfs/dbraw/zinc/93/25/35/616932535.db2.gz HIDLYICPTIDNTQ-LLVKDONJSA-N -1 3 257.261 0.809 20 10 CCCDHM C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(F)c(F)c1[O-] ZINC000895325142 632055583 /nfs/dbraw/zinc/05/55/83/632055583.db2.gz OHIILADZODZBDI-ZANVPECISA-N -1 3 273.279 0.988 20 10 CCCDHM CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000186965449 639872513 /nfs/dbraw/zinc/87/25/13/639872513.db2.gz NNUDBJPRSOWJKX-SNVBAGLBSA-N -1 3 278.308 0.839 20 10 CCCDHM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000803567612 640740780 /nfs/dbraw/zinc/74/07/80/640740780.db2.gz RZNXOBYJQBMKLE-CABZTGNLSA-N -1 3 297.351 0.986 20 10 CCCDHM O=C(NC1CC(CCO)C1)c1cccc(O)c1[O-] ZINC000889983356 648263068 /nfs/dbraw/zinc/26/30/68/648263068.db2.gz MJUCFZDTLPCDBU-UHFFFAOYSA-N -1 3 251.282 0.989 20 10 CCCDHM NC(=O)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142934688 800176478 /nfs/dbraw/zinc/17/64/78/800176478.db2.gz XHNIDZIALQPASX-UHFFFAOYSA-N -1 3 279.683 0.695 20 10 CCCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000704323385 819374152 /nfs/dbraw/zinc/37/41/52/819374152.db2.gz JTDDDTPFBOVUPY-OCAPTIKFSA-N -1 3 264.281 0.434 20 10 CCCDHM Cc1cnn(CCO)c1NC(=O)c1cccc(O)c1[O-] ZINC001148212211 840761939 /nfs/dbraw/zinc/76/19/39/840761939.db2.gz RBSYHWIRLWTIER-UHFFFAOYSA-N -1 3 277.280 0.847 20 10 CCCDHM O=C(N[C@@H](CO)C1CCC1)c1cccc(O)c1[O-] ZINC000717623419 848278156 /nfs/dbraw/zinc/27/81/56/848278156.db2.gz VFSAXIGXBKOGDA-JTQLQIEISA-N -1 3 251.282 0.989 20 10 CCCDHM COC(=O)N(C)CCNC(=O)c1cccc(O)c1[O-] ZINC000689592008 854907274 /nfs/dbraw/zinc/90/72/74/854907274.db2.gz HPCQKNLTDDBWRS-UHFFFAOYSA-N -1 3 268.269 0.526 20 10 CCCDHM CO[C@H]1COCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001324805788 913044949 /nfs/dbraw/zinc/04/49/49/913044949.db2.gz IYTNCOLXLOHEGH-CABZTGNLSA-N -1 3 281.308 0.879 20 10 CCCDHM CC(=O)N1CC(C(=O)NCc2c([O-])cccc2F)C1 ZINC001352123789 925527032 /nfs/dbraw/zinc/52/70/32/925527032.db2.gz BAQIRXAWERGMLW-UHFFFAOYSA-N -1 3 266.272 0.626 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C)Cn2cncn2)c([O-])c1O ZINC000271317712 353033476 /nfs/dbraw/zinc/03/34/76/353033476.db2.gz WQCQUNGWWDFAPW-SECBINFHSA-N -1 3 276.296 0.816 20 10 CCCDHM COC[C@@H](CCO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272777723 353093471 /nfs/dbraw/zinc/09/34/71/353093471.db2.gz UKPTWPWGDLXOIW-SECBINFHSA-N -1 3 269.297 0.533 20 10 CCCDHM Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c([O-])c1O ZINC000272776082 353093869 /nfs/dbraw/zinc/09/38/69/353093869.db2.gz UAXSLZWKMAGCDF-SECBINFHSA-N -1 3 299.348 0.665 20 10 CCCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2COC[C@H]2O)c1 ZINC000296048883 353928625 /nfs/dbraw/zinc/92/86/25/353928625.db2.gz UZALRDJJKJVHJL-RLCGTCKNSA-N -1 3 281.308 0.589 20 10 CCCDHM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000195151932 389117211 /nfs/dbraw/zinc/11/72/11/389117211.db2.gz DHUBYESTRKCNKM-XVKPBYJWSA-N -1 3 264.281 0.352 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H]2CCN(C)C2=O)c([O-])c1O ZINC000177687371 389589648 /nfs/dbraw/zinc/58/96/48/389589648.db2.gz UNIYNQTXBQNATO-SECBINFHSA-N -1 3 264.281 0.367 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2)c([O-])c1O ZINC000177687163 389589942 /nfs/dbraw/zinc/58/99/42/389589942.db2.gz GZMWVOKSOKAOPR-VIFPVBQESA-N -1 3 278.308 0.757 20 10 CCCDHM Cn1cc(N2CCN(Cc3ccccc3[O-])CC2=O)cn1 ZINC000179577625 389660145 /nfs/dbraw/zinc/66/01/45/389660145.db2.gz ZLFYBCSAOOLUIF-UHFFFAOYSA-N -1 3 286.335 0.975 20 10 CCCDHM O=C(NCCCN1CCOCC1)c1cccc(O)c1[O-] ZINC000126245384 260346495 /nfs/dbraw/zinc/34/64/95/260346495.db2.gz UJNCYYMDLDWJSA-UHFFFAOYSA-N -1 3 280.324 0.550 20 10 CCCDHM CN(CC(=O)NC1CC1)C(=O)c1cccc(O)c1[O-] ZINC000126340161 260350593 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ZINC000277972221 527087249 /nfs/dbraw/zinc/08/72/49/527087249.db2.gz BGLNOAFCSGKKAQ-CYBMUJFWSA-N -1 3 267.281 0.369 20 10 CCCDHM Cc1nc2n(n1)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000279416998 527193752 /nfs/dbraw/zinc/19/37/52/527193752.db2.gz XWBGSZFCLWZFJP-UHFFFAOYSA-N -1 3 274.280 0.654 20 10 CCCDHM Nc1ncc2c(n1)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000790060016 581174415 /nfs/dbraw/zinc/17/44/15/581174415.db2.gz UWBOZWRVMRJDPR-UHFFFAOYSA-N -1 3 286.291 0.669 20 10 CCCDHM C[C@H]1C(=O)N(C)CCN1C(=O)c1cc([O-])cs1 ZINC000779466408 581186877 /nfs/dbraw/zinc/18/68/77/581186877.db2.gz QUQOLNRUAIGFOU-ZETCQYMHSA-N -1 3 254.311 0.756 20 10 CCCDHM CNS(=O)(=O)CCNCc1c([O-])ccc(Cl)c1F ZINC000790993520 581204029 /nfs/dbraw/zinc/20/40/29/581204029.db2.gz YGOSHGZZUBEZFO-UHFFFAOYSA-N -1 3 296.751 0.824 20 10 CCCDHM C[C@H]1OCC[C@]1(O)CNC(=O)c1cc([O-])cs1 ZINC000791044745 581205372 /nfs/dbraw/zinc/20/53/72/581205372.db2.gz NLYCQKLZGPEYLS-HQJQHLMTSA-N -1 3 257.311 0.723 20 10 CCCDHM CCn1cnnc1CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000780932046 581250562 /nfs/dbraw/zinc/25/05/62/581250562.db2.gz IXRDANFHASYBCU-UHFFFAOYSA-N -1 3 290.323 0.990 20 10 CCCDHM Cc1ccc(C(=O)NC2(CC(N)=O)CCC2)c([O-])c1O ZINC000780968866 581253176 /nfs/dbraw/zinc/25/31/76/581253176.db2.gz IVGRNSYDUOEILO-UHFFFAOYSA-N -1 3 278.308 0.934 20 10 CCCDHM O=C(NC[C@H](CO)[C@@H]1CCOC1)c1cc([O-])cs1 ZINC000796452947 581441323 /nfs/dbraw/zinc/44/13/23/581441323.db2.gz YQGSADXPCDSYPH-RKDXNWHRSA-N -1 3 271.338 0.829 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H]2CNC(=O)C2)c([O-])c1O ZINC000755938575 581650596 /nfs/dbraw/zinc/65/05/96/581650596.db2.gz UXASBHMPTJMWRZ-ZETCQYMHSA-N -1 3 250.254 0.025 20 10 CCCDHM COc1cccc([O-])c1CN1CCN2C(=O)NC[C@H]2C1 ZINC000770287196 581738019 /nfs/dbraw/zinc/73/80/19/581738019.db2.gz VXUVHPHWYOYLRT-JTQLQIEISA-N -1 3 277.324 0.610 20 10 CCCDHM Cc1ccc(C(=O)N2CCC(NC(N)=O)CC2)c([O-])c1O ZINC000770498816 581747714 /nfs/dbraw/zinc/74/77/14/581747714.db2.gz GWNJAIHNKFGDNA-UHFFFAOYSA-N -1 3 293.323 0.679 20 10 CCCDHM O=C(COC(=O)c1cc([O-])cs1)N1CCNC1=O ZINC000731911267 581789872 /nfs/dbraw/zinc/78/98/72/581789872.db2.gz IIBPIICIOQKWDB-UHFFFAOYSA-N -1 3 270.266 0.162 20 10 CCCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC(N)=O ZINC000731911536 581790337 /nfs/dbraw/zinc/79/03/37/581790337.db2.gz LCJALAHWXIBQPD-SCSAIBSYSA-N -1 3 258.255 0.194 20 10 CCCDHM CN1C[C@@H](NC(=O)c2cc([O-])cs2)CCC1=O ZINC000738548700 582061460 /nfs/dbraw/zinc/06/14/60/582061460.db2.gz LRTUYKWUMOGXKB-ZETCQYMHSA-N -1 3 254.311 0.804 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN(C(=O)C2CC2)CC1 ZINC000776326866 582069249 /nfs/dbraw/zinc/06/92/49/582069249.db2.gz FKQIQRDWWSAOPF-UHFFFAOYSA-N -1 3 290.319 0.792 20 10 CCCDHM NC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000776674631 582086265 /nfs/dbraw/zinc/08/62/65/582086265.db2.gz XLWVIVDOTNDEOD-UHFFFAOYSA-N -1 3 273.248 0.844 20 10 CCCDHM C[C@@H](C(=O)[O-])[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000819889051 598097551 /nfs/dbraw/zinc/09/75/51/598097551.db2.gz JTSZOETZAHVEQY-WRWORJQWSA-N 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CC1(C)CN(C(=O)c2cccc(O)c2[O-])CCS1(=O)=O ZINC000274976051 353177098 /nfs/dbraw/zinc/17/70/98/353177098.db2.gz ONPAYBXUDGRZNZ-UHFFFAOYSA-N -1 3 299.348 0.747 20 10 CCCDHM NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070975645 295045043 /nfs/dbraw/zinc/04/50/43/295045043.db2.gz SDHFVKMXYZJLQV-LBPRGKRZSA-N -1 3 264.325 0.859 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000187185437 296253868 /nfs/dbraw/zinc/25/38/68/296253868.db2.gz WSUCSADBWZFYGA-QWRGUYRKSA-N -1 3 290.319 0.981 20 10 CCCDHM CCN(C)C(=O)CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000185176133 388791333 /nfs/dbraw/zinc/79/13/33/388791333.db2.gz UXIRGGNQJRQJLA-UHFFFAOYSA-N -1 3 267.285 0.868 20 10 CCCDHM C[C@H]1OCC[C@]1(O)CNC(=O)c1cccc(O)c1[O-] ZINC000228706127 389154595 /nfs/dbraw/zinc/15/45/95/389154595.db2.gz ARHLIJSERUTZIK-OQPBUACISA-N -1 3 267.281 0.368 20 10 CCCDHM Cc1ccc(C(=O)N[C@@H](C)C[S@](C)=O)c([O-])c1O ZINC000181699964 389691140 /nfs/dbraw/zinc/69/11/40/389691140.db2.gz ZWHNLQPUPAHCTP-ASCAZGACSA-N -1 3 271.338 0.903 20 10 CCCDHM CNS(=O)(=O)[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000376163433 389730330 /nfs/dbraw/zinc/73/03/30/389730330.db2.gz BITGVHZFGBCFFC-JTQLQIEISA-N -1 3 288.344 0.655 20 10 CCCDHM O=C(NCCCCN1CCOCC1)c1cccc(O)c1[O-] ZINC000186948838 262117568 /nfs/dbraw/zinc/11/75/68/262117568.db2.gz SXVDCBHQHVLQLD-UHFFFAOYSA-N -1 3 294.351 0.940 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000187185458 304548953 /nfs/dbraw/zinc/54/89/53/304548953.db2.gz WSUCSADBWZFYGA-MNOVXSKESA-N -1 3 290.319 0.981 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)CC1 ZINC000126399850 329591832 /nfs/dbraw/zinc/59/18/32/329591832.db2.gz YDZMAJDRRIJTFI-UHFFFAOYSA-N -1 3 250.254 0.060 20 10 CCCDHM CC1(C)C[C@@H](NC(=O)c2cccc(O)c2[O-])C(=O)O1 ZINC000276362420 520522797 /nfs/dbraw/zinc/52/27/97/520522797.db2.gz AOUUUWQZQFCPMW-MRVPVSSYSA-N -1 3 265.265 0.922 20 10 CCCDHM CC1(C)C[C@H](NC(=O)c2cccc(O)c2[O-])C(=O)O1 ZINC000276362425 520554123 /nfs/dbraw/zinc/55/41/23/520554123.db2.gz 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ZINC000738124269 582023165 /nfs/dbraw/zinc/02/31/65/582023165.db2.gz NOKVXCVEJCSRMQ-UHFFFAOYSA-N -1 3 296.290 0.897 20 10 CCCDHM CC(C)NC(=O)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126337249 613912590 /nfs/dbraw/zinc/91/25/90/613912590.db2.gz NRNNJGJBULVLNB-UHFFFAOYSA-N -1 3 266.297 0.694 20 10 CCCDHM CCS(=O)(=O)CCCNC(=O)c1cccc(O)c1[O-] ZINC000839903184 615530692 /nfs/dbraw/zinc/53/06/92/615530692.db2.gz CDSHWTHLWGZNKH-UHFFFAOYSA-N -1 3 287.337 0.652 20 10 CCCDHM CN1CC[C@@H](C(=O)NCc2c([O-])cccc2F)C1=O ZINC000928707109 616266596 /nfs/dbraw/zinc/26/65/96/616266596.db2.gz AAWULHFQZJQNHT-QMMMGPOBSA-N -1 3 266.272 0.626 20 10 CCCDHM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000844119630 616477035 /nfs/dbraw/zinc/47/70/35/616477035.db2.gz QIVOGLKPCICKBP-BDAKNGLRSA-N -1 3 295.291 0.094 20 10 CCCDHM COC(=O)CNC(=O)CNCc1ccc(F)c(F)c1[O-] ZINC000877706241 616597427 /nfs/dbraw/zinc/59/74/27/616597427.db2.gz ILJZXMDIQURAPN-UHFFFAOYSA-N -1 3 288.250 0.049 20 10 CCCDHM COC(=O)CNC(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000895451990 616597623 /nfs/dbraw/zinc/59/76/23/616597623.db2.gz OIXKPOLUWXNJNF-UHFFFAOYSA-N -1 3 288.250 0.049 20 10 CCCDHM COC(=O)Cn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000126733328 616738258 /nfs/dbraw/zinc/73/82/58/616738258.db2.gz UHDGROIMSXHHFN-UHFFFAOYSA-N -1 3 291.263 0.720 20 10 CCCDHM CO[C@H](C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452061 617076408 /nfs/dbraw/zinc/07/64/08/617076408.db2.gz BZOQEKQVBRFWOK-MRVPVSSYSA-N -1 3 277.317 0.986 20 10 CCCDHM O=C(NCc1cnc2n1CCOC2)c1cccc(O)c1[O-] ZINC000890846013 624648182 /nfs/dbraw/zinc/64/81/82/624648182.db2.gz GNHXWIDYFAWDGQ-UHFFFAOYSA-N -1 3 289.291 0.755 20 10 CCCDHM Cn1ncnc1C1(O)CN(Cc2cc(F)ccc2[O-])C1 ZINC000895619187 632112768 /nfs/dbraw/zinc/11/27/68/632112768.db2.gz STVYWPGXGYEHKB-UHFFFAOYSA-N -1 3 278.287 0.363 20 10 CCCDHM Cn1ncc(CNC(=O)NCc2c([O-])cccc2F)n1 ZINC000922474143 639705810 /nfs/dbraw/zinc/70/58/10/639705810.db2.gz WSOGZLLFYUOUEG-UHFFFAOYSA-N -1 3 279.275 0.659 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000801266301 640640416 /nfs/dbraw/zinc/64/04/16/640640416.db2.gz PXCWKJBPBOGYON-GFCCVEGCSA-N -1 3 291.303 0.918 20 10 CCCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001231455519 805806396 /nfs/dbraw/zinc/80/63/96/805806396.db2.gz QUKQEODIVUUEOO-CMPLNLGQSA-N -1 3 290.319 0.658 20 10 CCCDHM O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001231455519 805806405 /nfs/dbraw/zinc/80/64/05/805806405.db2.gz QUKQEODIVUUEOO-CMPLNLGQSA-N -1 3 290.319 0.658 20 10 CCCDHM CN1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231559408 805816093 /nfs/dbraw/zinc/81/60/93/805816093.db2.gz CUEUSQBDMSFOBN-UHFFFAOYSA-N -1 3 250.298 0.838 20 10 CCCDHM NC(=O)[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCO1 ZINC001232262278 805917237 /nfs/dbraw/zinc/91/72/37/805917237.db2.gz DUXOZXUHHZCXJQ-NSHDSACASA-N -1 3 286.715 0.437 20 10 CCCDHM [O-]c1cc(Cl)c(F)cc1CN1C[C@@H](O)[C@H](CO)C1 ZINC001237934728 806737025 /nfs/dbraw/zinc/73/70/25/806737025.db2.gz 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ZINC000717794160 848393835 /nfs/dbraw/zinc/39/38/35/848393835.db2.gz GRHLMVDKZLWLSG-LURJTMIESA-N -1 3 261.224 0.844 20 10 CCCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)C[C@H](O)CO ZINC001139124547 852187560 /nfs/dbraw/zinc/18/75/60/852187560.db2.gz BZDVEROXEUPISU-JTQLQIEISA-N -1 3 293.319 0.592 20 10 CCCDHM O=C1NCCn2c(CNCc3cc(F)ccc3[O-])nnc21 ZINC001332022471 917806384 /nfs/dbraw/zinc/80/63/84/917806384.db2.gz YMHZVMFLNHGSQD-UHFFFAOYSA-N -1 3 291.286 0.156 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCCNC1=O ZINC001353087537 925726162 /nfs/dbraw/zinc/72/61/62/925726162.db2.gz SZNCGFNZZITXRZ-LLVKDONJSA-N -1 3 295.314 0.999 20 10 CCCDHM O=C(CCc1nnc[nH]1)NCc1c([O-])cccc1F ZINC001354281417 926068270 /nfs/dbraw/zinc/06/82/70/926068270.db2.gz HVPFEAOMLKUOJK-UHFFFAOYSA-N -1 3 264.260 0.898 20 10 CCCDHM CCOc1cccc(CNCC(=O)NCC(=O)[O-])c1O ZINC000075436190 957745022 /nfs/dbraw/zinc/74/50/22/957745022.db2.gz OEHGRKGQRGYJFJ-UHFFFAOYSA-N -1 3 282.296 0.081 20 10 CCCDHM CN(C)c1ccc(CN(C)C(=O)[C@@H](N)CCC(=O)[O-])cc1 ZINC000085838519 957930691 /nfs/dbraw/zinc/93/06/91/957930691.db2.gz LZPHITQGGGRXQB-ZDUSSCGKSA-N -1 3 293.367 0.903 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](C)N1CCOCC1 ZINC000193023018 351808545 /nfs/dbraw/zinc/80/85/45/351808545.db2.gz JHNPQTRUQBRWDD-MNOVXSKESA-N -1 3 294.351 0.937 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H]2CN(C)CCN2C)c([O-])c1O ZINC000271230526 353032429 /nfs/dbraw/zinc/03/24/29/353032429.db2.gz BADIZQRMCJVVLK-NSHDSACASA-N -1 3 293.367 0.382 20 10 CCCDHM COC(=O)CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272682429 353085477 /nfs/dbraw/zinc/08/54/77/353085477.db2.gz SRGDMLPJOXTFNH-UHFFFAOYSA-N -1 3 253.254 0.651 20 10 CCCDHM Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c([O-])c1O ZINC000272776088 353093506 /nfs/dbraw/zinc/09/35/06/353093506.db2.gz UAXSLZWKMAGCDF-VIFPVBQESA-N -1 3 299.348 0.665 20 10 CCCDHM Cc1ccc(C(=O)N2CC(=O)N[C@@H](C)C2)c([O-])c1O ZINC000296958415 200046589 /nfs/dbraw/zinc/04/65/89/200046589.db2.gz JWPZMWRQDNLCEB-QMMMGPOBSA-N -1 3 264.281 0.367 20 10 CCCDHM Cc1ccc(C(=O)NCC(=O)N(C)C)c([O-])c1O ZINC000177662177 389588223 /nfs/dbraw/zinc/58/82/23/389588223.db2.gz NQFXDUWCAQNOPL-UHFFFAOYSA-N -1 3 252.270 0.224 20 10 CCCDHM CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000182395150 389708401 /nfs/dbraw/zinc/70/84/01/389708401.db2.gz JGDIWANFISWJFP-SNVBAGLBSA-N -1 3 278.308 0.757 20 10 CCCDHM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000129666515 260389669 /nfs/dbraw/zinc/38/96/69/260389669.db2.gz DEBBCENZBPXVNO-UWVGGRQHSA-N -1 3 251.282 0.987 20 10 CCCDHM COCCOCCCNC(=O)c1cccc(O)c1[O-] ZINC000230101100 333314537 /nfs/dbraw/zinc/31/45/37/333314537.db2.gz JXPCFAOENTXQFX-UHFFFAOYSA-N -1 3 269.297 0.881 20 10 CCCDHM CN1C[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC000263733518 524012325 /nfs/dbraw/zinc/01/23/25/524012325.db2.gz MEKLRYLLLMYZRL-VIFPVBQESA-N -1 3 265.269 0.621 20 10 CCCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])c1nncn1C ZINC000280896668 524724830 /nfs/dbraw/zinc/72/48/30/524724830.db2.gz VKPKLOONUUPXCT-QMMMGPOBSA-N -1 3 276.296 0.760 20 10 CCCDHM C[C@@H](Cn1cncn1)NC(=O)c1cccc(O)c1[O-] ZINC000274955492 524972367 /nfs/dbraw/zinc/97/23/67/524972367.db2.gz IKQGECWTMFXTRU-QMMMGPOBSA-N -1 3 262.269 0.508 20 10 CCCDHM Cc1ccc(C(=O)N[C@@]2(C)CCOC2=O)c([O-])c1O ZINC000292501881 526206738 /nfs/dbraw/zinc/20/67/38/526206738.db2.gz PCNJJQAYBMVVBR-ZDUSSCGKSA-N -1 3 265.265 0.842 20 10 CCCDHM CC[C@@H](CO)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000765260924 581507232 /nfs/dbraw/zinc/50/72/32/581507232.db2.gz HUWFTZIFQWVOKN-JTQLQIEISA-N -1 3 284.381 0.982 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCN2C(=O)CC[C@H]2C1 ZINC000766250093 581558884 /nfs/dbraw/zinc/55/88/84/581558884.db2.gz MCIQNDJFZGDQQL-QMMMGPOBSA-N -1 3 266.322 0.901 20 10 CCCDHM COc1cccc([O-])c1CNCc1cc(C(N)=O)no1 ZINC000757906202 581713811 /nfs/dbraw/zinc/71/38/11/581713811.db2.gz LUPMODSDKRKFRW-UHFFFAOYSA-N -1 3 277.280 0.778 20 10 CCCDHM CC(C)NS(=O)(=O)CCNC(=O)c1cc([O-])cs1 ZINC000732278972 581815864 /nfs/dbraw/zinc/81/58/64/581815864.db2.gz HFKIJGYRDRLUSB-UHFFFAOYSA-N -1 3 292.382 0.511 20 10 CCCDHM O=C(OCCN1CCOCC1)c1cc([O-])cs1 ZINC000747701557 581949872 /nfs/dbraw/zinc/94/98/72/581949872.db2.gz QUDBWCCXTKRAAF-UHFFFAOYSA-N -1 3 257.311 0.943 20 10 CCCDHM CCN(CC(=O)NC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774834812 581999081 /nfs/dbraw/zinc/99/90/81/581999081.db2.gz IOJSXXIFKVOMBM-UHFFFAOYSA-N -1 3 297.311 0.877 20 10 CCCDHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000750539047 582050684 /nfs/dbraw/zinc/05/06/84/582050684.db2.gz RPWDMOFCXVWUBV-MRVPVSSYSA-N -1 3 290.366 0.217 20 10 CCCDHM CC(=O)NCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)[O-] ZINC000819780980 613737608 /nfs/dbraw/zinc/73/76/08/613737608.db2.gz ONOGWBCXMGCEOP-JTQLQIEISA-N -1 3 280.324 0.803 20 10 CCCDHM CC(=O)NCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)[O-] ZINC000819780980 613737611 /nfs/dbraw/zinc/73/76/11/613737611.db2.gz ONOGWBCXMGCEOP-JTQLQIEISA-N -1 3 280.324 0.803 20 10 CCCDHM CN1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)C1=O ZINC000921313042 616207614 /nfs/dbraw/zinc/20/76/14/616207614.db2.gz HOGQMZGNHDPOCO-NSHDSACASA-N -1 3 295.314 0.951 20 10 CCCDHM COC(=O)[C@](C)(CO)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000852158166 616747929 /nfs/dbraw/zinc/74/79/29/616747929.db2.gz SFWLUITUEKHGJD-AWEZNQCLSA-N -1 3 299.298 0.748 20 10 CCCDHM COc1c([O-])c(CN2CC(C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000843415450 617149229 /nfs/dbraw/zinc/14/92/29/617149229.db2.gz FWMDMMIMVPSFEQ-UHFFFAOYSA-N -1 3 295.295 0.616 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](O)[C@@H](F)C1 ZINC000890692096 624563416 /nfs/dbraw/zinc/56/34/16/624563416.db2.gz SQOKUMOYQGMTHP-IUCAKERBSA-N -1 3 255.245 0.643 20 10 CCCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](O)[C@@H](CO)C1 ZINC000895015798 631894836 /nfs/dbraw/zinc/89/48/36/631894836.db2.gz YYGVBUUWEOJUNE-SKDRFNHKSA-N -1 3 273.279 0.846 20 10 CCCDHM NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928710984 632547319 /nfs/dbraw/zinc/54/73/19/632547319.db2.gz YVDOCYKJBYTDKN-RQJHMYQMSA-N -1 3 252.245 0.269 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CNC(=O)C1 ZINC000922867164 639806329 /nfs/dbraw/zinc/80/63/29/639806329.db2.gz QUXHGWNBNIBUDT-MRVPVSSYSA-N -1 3 281.287 0.467 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000846560168 643422307 /nfs/dbraw/zinc/42/23/07/643422307.db2.gz KABIIRNDEPWNEZ-QQJLPTOTSA-N -1 3 267.306 0.443 20 10 CCCDHM O=C([O-])c1cnn2c1[nH]c(CN1CC[C@@H]3C[C@@H]3C1)cc2=O ZINC000851708907 643874142 /nfs/dbraw/zinc/87/41/42/643874142.db2.gz AKLBGASEIAASIX-RKDXNWHRSA-N -1 3 288.307 0.975 20 10 CCCDHM O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(O)c1[O-] ZINC000882928892 647462962 /nfs/dbraw/zinc/46/29/62/647462962.db2.gz VBBYUXYGJDBWKO-SNVBAGLBSA-N -1 3 290.319 0.839 20 10 CCCDHM C[C@@H](CC(N)=O)C(=O)NCc1c([O-])cccc1F ZINC000928709051 648659502 /nfs/dbraw/zinc/65/95/02/648659502.db2.gz WUUZRCNFXFXRKJ-ZETCQYMHSA-N -1 3 254.261 0.659 20 10 CCCDHM NC(=O)[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231452314 805806818 /nfs/dbraw/zinc/80/68/18/805806818.db2.gz KZDVLEMEHGLHHU-LLVKDONJSA-N -1 3 278.308 0.930 20 10 CCCDHM COC(=O)[C@@H]1CNCCN1Cc1cc(F)c(F)cc1[O-] ZINC001236054365 806536241 /nfs/dbraw/zinc/53/62/41/806536241.db2.gz ADVFXVXVNJIXLE-NSHDSACASA-N -1 3 286.278 0.617 20 10 CCCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@H](O)[C@@H](CO)C1 ZINC001237124647 806640784 /nfs/dbraw/zinc/64/07/84/806640784.db2.gz PVMGFAYLWWECSO-HQJQHLMTSA-N -1 3 275.707 0.970 20 10 CCCDHM CCn1cc(CNC(=O)c2cccc(O)c2[O-])nn1 ZINC000404467476 803853971 /nfs/dbraw/zinc/85/39/71/803853971.db2.gz NEWYKRXNKZELTR-UHFFFAOYSA-N -1 3 262.269 0.639 20 10 CCCDHM Cn1cnc(CCNC(=O)c2cccc(O)c2[O-])c1 ZINC000313472897 804412969 /nfs/dbraw/zinc/41/29/69/804412969.db2.gz NCCGGMARWYPNGL-UHFFFAOYSA-N -1 3 261.281 0.804 20 10 CCCDHM CNC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000722174811 811974951 /nfs/dbraw/zinc/97/49/51/811974951.db2.gz SQJLYQVTPJBVPW-UHFFFAOYSA-N -1 3 279.296 0.195 20 10 CCCDHM CN(C(=O)CCNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC001148220181 840766952 /nfs/dbraw/zinc/76/69/52/840766952.db2.gz WLLNGIMPMMKNSH-UHFFFAOYSA-N -1 3 278.308 0.839 20 10 CCCDHM C[C@@H]1CO[C@@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]12 ZINC001148584134 840852282 /nfs/dbraw/zinc/85/22/82/840852282.db2.gz PFMQNNRLOZBODZ-JWKOBGCHSA-N -1 3 279.292 0.910 20 10 CCCDHM O=C(NC1CCN(CCF)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148589875 840855995 /nfs/dbraw/zinc/85/59/95/840855995.db2.gz ORLVPGFGISPLEM-UHFFFAOYSA-N -1 3 298.314 0.967 20 10 CCCDHM Cc1nnc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)[nH]1 ZINC001177441160 842606339 /nfs/dbraw/zinc/60/63/39/842606339.db2.gz LSMUPYYHKSDECK-UHFFFAOYSA-N -1 3 290.279 0.066 20 10 CCCDHM CN(C)C(=O)c1c[nH]nc1NC(=O)c1cccc(O)c1[O-] ZINC001177480386 842621660 /nfs/dbraw/zinc/62/16/60/842621660.db2.gz NFRVSKFHCRAJTA-UHFFFAOYSA-N -1 3 290.279 0.775 20 10 CCCDHM O=C([O-])COCCOCC[NH2+]Cc1cc(F)ccc1[O-] ZINC001335285876 906631226 /nfs/dbraw/zinc/63/12/26/906631226.db2.gz TVNSJKUPNJMASC-UHFFFAOYSA-N -1 3 287.287 0.739 20 10 CCCDHM O=C(NCc1nnc2n1CCOC2)c1cccc(O)c1[O-] ZINC001320699478 910812816 /nfs/dbraw/zinc/81/28/16/910812816.db2.gz LRSMMNKZRZQMOD-UHFFFAOYSA-N -1 3 290.279 0.150 20 10 CCCDHM COC(=O)NC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC001321034384 911032938 /nfs/dbraw/zinc/03/29/38/911032938.db2.gz FDMPWTPSFFBKHO-UHFFFAOYSA-N -1 3 266.253 0.278 20 10 CCCDHM Nc1ccc(Cc2noc([C@@H]3CCS(=O)(=O)[N-]3)n2)cc1 ZINC001346141758 924083202 /nfs/dbraw/zinc/08/32/02/924083202.db2.gz NAZLQBUXZWANSD-JTQLQIEISA-N -1 3 294.336 0.607 20 10 CCCDHM CCOCCN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193062363 351810043 /nfs/dbraw/zinc/81/00/43/351810043.db2.gz ZCNIXYWFBSGVNA-UHFFFAOYSA-N -1 3 294.351 0.892 20 10 CCCDHM CCOC(=O)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000271297381 353033764 /nfs/dbraw/zinc/03/37/64/353033764.db2.gz RLOFFTZRTVSMHM-UHFFFAOYSA-N -1 3 253.254 0.699 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC(=O)N1 ZINC000296159942 353934477 /nfs/dbraw/zinc/93/44/77/353934477.db2.gz NCGMWQNEHOJKFP-ZETCQYMHSA-N -1 3 250.254 0.058 20 10 CCCDHM CCCOc1ccc(CN2CCO[C@@H](C(N)=O)C2)c([O-])c1 ZINC000092735558 389031955 /nfs/dbraw/zinc/03/19/55/389031955.db2.gz IECWTTNGUONIEJ-CQSZACIVSA-N -1 3 294.351 0.867 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CCN(C)C2=O)c([O-])c1O ZINC000177687384 389589753 /nfs/dbraw/zinc/58/97/53/389589753.db2.gz UNIYNQTXBQNATO-VIFPVBQESA-N -1 3 264.281 0.367 20 10 CCCDHM Cc1ccc(C(=O)N2CCN(CCO)CC2)c([O-])c1O ZINC000179420225 389655901 /nfs/dbraw/zinc/65/59/01/389655901.db2.gz STVZGBSFKWNMPB-UHFFFAOYSA-N -1 3 280.324 0.156 20 10 CCCDHM O=C(CNC(=O)c1cccc(O)c1[O-])N1CCCCC1 ZINC000126530653 260352615 /nfs/dbraw/zinc/35/26/15/260352615.db2.gz PKOYMEYVPSTPQS-UHFFFAOYSA-N -1 3 278.308 0.840 20 10 CCCDHM C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000228759041 333296713 /nfs/dbraw/zinc/29/67/13/333296713.db2.gz NMPRBXRKOJEZDN-QMMMGPOBSA-N -1 3 285.321 0.357 20 10 CCCDHM COC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)O1 ZINC000275913042 522503839 /nfs/dbraw/zinc/50/38/39/522503839.db2.gz FQXBLQPDJYQISQ-ZJUUUORDSA-N -1 3 281.308 0.974 20 10 CCCDHM COCC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000274903115 522743855 /nfs/dbraw/zinc/74/38/55/522743855.db2.gz QFNUZQCJGSQGLI-UHFFFAOYSA-N -1 3 294.307 0.029 20 10 CCCDHM CO[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@@H]1OC ZINC000277145746 523735858 /nfs/dbraw/zinc/73/58/58/523735858.db2.gz VWJSHDLNHUXJNK-PHIMTYICSA-N -1 3 281.308 0.892 20 10 CCCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[S@@](=O)C1 ZINC000277403987 524540483 /nfs/dbraw/zinc/54/04/83/524540483.db2.gz FAXZAKQZNMRUIN-ZRNGKTOUSA-N -1 3 283.349 0.938 20 10 CCCDHM NC(=O)C1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000274960858 526847323 /nfs/dbraw/zinc/84/73/23/526847323.db2.gz KVIJWZLQMCKAGN-UHFFFAOYSA-N -1 3 278.308 0.873 20 10 CCCDHM Cn1cc([C@@H](CO)NC(=O)c2cccc(O)c2[O-])cn1 ZINC000790915460 581202398 /nfs/dbraw/zinc/20/23/98/581202398.db2.gz ATSQHGCOXVPVBJ-SNVBAGLBSA-N -1 3 277.280 0.295 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nnnn1C1CC1 ZINC000791917002 581239579 /nfs/dbraw/zinc/23/95/79/581239579.db2.gz 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271.267 0.913 20 10 CCCDHM NC(=O)c1cnoc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582213 840849069 /nfs/dbraw/zinc/84/90/69/840849069.db2.gz FWKXXHQYUZGCFV-UHFFFAOYSA-N -1 3 279.208 0.143 20 10 CCCDHM CN(C)c1cc(NC(=O)c2cc(O)c([O-])c(O)c2)[nH]n1 ZINC001148582495 840850583 /nfs/dbraw/zinc/85/05/83/840850583.db2.gz IQNMUHKCWFGIFR-UHFFFAOYSA-N -1 3 278.268 0.845 20 10 CCCDHM O=C(Nc1c[nH]ccc1=O)c1cc(O)c([O-])c(O)c1 ZINC001148583267 840850718 /nfs/dbraw/zinc/85/07/18/840850718.db2.gz VXVRAAPCYACTGR-UHFFFAOYSA-N -1 3 262.221 0.744 20 10 CCCDHM Cn1ccnc1CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148591107 840855453 /nfs/dbraw/zinc/85/54/53/840855453.db2.gz UUFCYNHZIJZUAM-UHFFFAOYSA-N -1 3 277.280 0.509 20 10 CCCDHM C=CC(=O)N(C)CC(=O)NCc1c([O-])cccc1F ZINC001178412633 842843335 /nfs/dbraw/zinc/84/33/35/842843335.db2.gz CFQGQKLEKUOVGC-UHFFFAOYSA-N -1 3 266.272 0.792 20 10 CCCDHM [O-]c1cccc(F)c1CNc1nccn2nnnc12 ZINC001187677078 844744746 /nfs/dbraw/zinc/74/47/46/844744746.db2.gz HSDBURLRHAKYPQ-UHFFFAOYSA-N -1 3 260.232 0.976 20 10 CCCDHM O=C(N[C@@H]1CCNC(=O)CC1)c1cccc(O)c1[O-] ZINC000396680317 852420401 /nfs/dbraw/zinc/42/04/01/852420401.db2.gz WEDJUUKSOOIAIZ-QMMMGPOBSA-N -1 3 264.281 0.496 20 10 CCCDHM CO[C@H]1COCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001324805790 913045483 /nfs/dbraw/zinc/04/54/83/913045483.db2.gz IYTNCOLXLOHEGH-SKDRFNHKSA-N -1 3 281.308 0.879 20 10 CCCDHM CS(=O)(=O)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001326468540 913974372 /nfs/dbraw/zinc/97/43/72/913974372.db2.gz VWZCQKPOMJIKKR-VIFPVBQESA-N -1 3 299.348 0.605 20 10 CCCDHM CN(CCNS(C)(=O)=O)Cc1cc(F)c(F)cc1[O-] ZINC001308624671 908427894 /nfs/dbraw/zinc/42/78/94/908427894.db2.gz QALKRHGTYCNJFF-UHFFFAOYSA-N -1 3 294.323 0.651 20 10 CCCDHM C[C@@](CO)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC001545748331 923561851 /nfs/dbraw/zinc/56/18/51/923561851.db2.gz YTJXLJODKRTFJH-ZDUSSCGKSA-N -1 3 251.282 0.989 20 10 CCCDHM Nc1ccc(Cc2noc([C@H]3CCS(=O)(=O)[N-]3)n2)cc1 ZINC001346141760 924082706 /nfs/dbraw/zinc/08/27/06/924082706.db2.gz NAZLQBUXZWANSD-SNVBAGLBSA-N -1 3 294.336 0.607 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCCNC1=O ZINC001353087541 925725349 /nfs/dbraw/zinc/72/53/49/925725349.db2.gz SZNCGFNZZITXRZ-NSHDSACASA-N -1 3 295.314 0.999 20 10 CCCDHM C[C@@H]([NH2+][C@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1[O-] ZINC001594206467 959270829 /nfs/dbraw/zinc/27/08/29/959270829.db2.gz HZTDZSQDPXLJII-KOLCDFICSA-N -1 3 278.308 0.728 20 10 CCCDHM CC(C)(C)C(=O)NCCNC(=O)c1cccc(O)c1[O-] ZINC000192999111 351807301 /nfs/dbraw/zinc/80/73/01/351807301.db2.gz WECAYZNPNRSAAN-UHFFFAOYSA-N -1 3 280.324 0.990 20 10 CCCDHM CC(C)N1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1=O ZINC000193070722 351809828 /nfs/dbraw/zinc/80/98/28/351809828.db2.gz JYBRPIRCIRUFQM-SNVBAGLBSA-N -1 3 278.308 0.837 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCO2)c1 ZINC000273175743 353110940 /nfs/dbraw/zinc/11/09/40/353110940.db2.gz FWGNWQMUZPYDJR-UHFFFAOYSA-N -1 3 286.309 0.541 20 10 CCCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCNC1=O ZINC000282112621 353394664 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522800710 /nfs/dbraw/zinc/80/07/10/522800710.db2.gz MXBINPPCXUVPJU-UHFFFAOYSA-N -1 3 253.254 0.779 20 10 CCCDHM C[C@H](Cn1cncn1)NC(=O)c1cccc(O)c1[O-] ZINC000274955491 524802472 /nfs/dbraw/zinc/80/24/72/524802472.db2.gz IKQGECWTMFXTRU-MRVPVSSYSA-N -1 3 262.269 0.508 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)S1(=O)=O ZINC000291362890 524872302 /nfs/dbraw/zinc/87/23/02/524872302.db2.gz VMDAQURCZTUYCU-RKDXNWHRSA-N -1 3 299.348 0.745 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000791027531 581204622 /nfs/dbraw/zinc/20/46/22/581204622.db2.gz ALGNFNPNMKSOBW-LBPRGKRZSA-N -1 3 266.322 0.806 20 10 CCCDHM CN(C)C(=O)CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778995815 581172708 /nfs/dbraw/zinc/17/27/08/581172708.db2.gz SWEAAURZBMWBHU-UHFFFAOYSA-N -1 3 295.358 0.737 20 10 CCCDHM O=C1NC(=O)N2CCN(Cc3c([O-])cccc3Cl)C[C@H]12 ZINC000779433133 581185334 /nfs/dbraw/zinc/18/53/34/581185334.db2.gz QKIUGUPQUSDOAJ-SNVBAGLBSA-N -1 3 295.726 0.782 20 10 CCCDHM CN(C)c1ccc(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1 ZINC000779432935 581185393 /nfs/dbraw/zinc/18/53/93/581185393.db2.gz LYSRQRWUDXUPGW-ZDUSSCGKSA-N -1 3 288.351 0.489 20 10 CCCDHM O=C(CNC(=O)c1cccc(O)c1[O-])Nc1cccnc1 ZINC000790626014 581191887 /nfs/dbraw/zinc/19/18/87/581191887.db2.gz RCHFYJNVYJNOIE-UHFFFAOYSA-N -1 3 287.275 0.861 20 10 CCCDHM Cc1ccc(C(=O)NCCn2cncn2)c([O-])c1O ZINC000780919924 581249667 /nfs/dbraw/zinc/24/96/67/581249667.db2.gz YFFLCMRJLGHIRZ-UHFFFAOYSA-N -1 3 262.269 0.428 20 10 CCCDHM Cc1ccc(C(=O)N2CC(=O)N(C)C2)c([O-])c1O ZINC000781013402 581255808 /nfs/dbraw/zinc/25/58/08/581255808.db2.gz LDTMSGMYEAOXPZ-UHFFFAOYSA-N -1 3 250.254 0.278 20 10 CCCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CCN1CCO ZINC000781680413 581274053 /nfs/dbraw/zinc/27/40/53/581274053.db2.gz RWMAYLDARIQDTP-UHFFFAOYSA-N -1 3 294.351 0.627 20 10 CCCDHM CCCNC(=O)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731911261 581789446 /nfs/dbraw/zinc/78/94/46/581789446.db2.gz IBCVQRWNWCXEMJ-UHFFFAOYSA-N -1 3 286.309 0.846 20 10 CCCDHM NC(=O)Cn1ccc(NC(=O)c2cc([O-])cs2)n1 ZINC000732276810 581815208 /nfs/dbraw/zinc/81/52/08/581815208.db2.gz RQQJMKSTVCUIQE-UHFFFAOYSA-N -1 3 266.282 0.388 20 10 CCCDHM COC(=O)CNC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353324 581820495 /nfs/dbraw/zinc/82/04/95/581820495.db2.gz FRDISYYZBVZXEF-LURJTMIESA-N -1 3 287.293 0.288 20 10 CCCDHM O=C(COC(=O)c1cc([O-])cs1)N1CCCC1=O ZINC000732354831 581821095 /nfs/dbraw/zinc/82/10/95/581821095.db2.gz SRNKKKCMWAYSQP-UHFFFAOYSA-N -1 3 269.278 0.760 20 10 CCCDHM O=C(NC[C@]1(CCO)CCOC1)c1cc([O-])cs1 ZINC000762569894 581951633 /nfs/dbraw/zinc/95/16/33/581951633.db2.gz PUKHEOXHBCVFIY-LBPRGKRZSA-N -1 3 271.338 0.973 20 10 CCCDHM Cn1nc2c(cc1=O)CN(C(=O)c1cc([O-])cs1)CC2 ZINC000749189729 581999125 /nfs/dbraw/zinc/99/91/25/581999125.db2.gz WOCVOYNNWLQBAV-UHFFFAOYSA-N -1 3 291.332 0.746 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c([O-])c1O ZINC000751533748 582084693 /nfs/dbraw/zinc/08/46/93/582084693.db2.gz QJEZOOJESNGYDT-QMMMGPOBSA-N -1 3 285.321 0.323 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282.271 0.005 20 10 CCCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCC(=O)N(C)C1 ZINC000848128578 616291567 /nfs/dbraw/zinc/29/15/67/616291567.db2.gz IJQKMXYRQLOEFG-VIFPVBQESA-N -1 3 278.308 0.791 20 10 CCCDHM COC(=O)C1CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000871549993 616455660 /nfs/dbraw/zinc/45/56/60/616455660.db2.gz WHBAPEGTCGPEPR-UHFFFAOYSA-N -1 3 265.265 0.779 20 10 CCCDHM COCOCCCNC(=O)c1cccc(O)c1[O-] ZINC000848167426 616770028 /nfs/dbraw/zinc/77/00/28/616770028.db2.gz VGHZWJXKGFKXNZ-UHFFFAOYSA-N -1 3 255.270 0.838 20 10 CCCDHM COC[C@@]1(C)CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000863831516 617042612 /nfs/dbraw/zinc/04/26/12/617042612.db2.gz GRBOHJMDKIKLRC-CQSZACIVSA-N -1 3 281.308 0.975 20 10 CCCDHM O=C(NCCN1CCOCC1)NCc1c([O-])cccc1F ZINC000905150196 634810360 /nfs/dbraw/zinc/81/03/60/634810360.db2.gz ZGBRBFWYXYQZKH-UHFFFAOYSA-N -1 3 297.330 0.663 20 10 CCCDHM O=C(NCC1(CCO)CC1)c1cccc(O)c1[O-] ZINC000097818965 632245828 /nfs/dbraw/zinc/24/58/28/632245828.db2.gz UNOIOUGQMPITLC-UHFFFAOYSA-N -1 3 251.282 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253.254 0.543 20 10 CCCDHM O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(O)c1[O-] ZINC000836865191 642711779 /nfs/dbraw/zinc/71/17/79/642711779.db2.gz BZMHWYIQZJIBDZ-PHIMTYICSA-N -1 3 292.335 0.691 20 10 CCCDHM Cc1ccc(C(=O)N2CN(C)C(=O)[C@@H]2C)c([O-])c1O ZINC000844103551 643153657 /nfs/dbraw/zinc/15/36/57/643153657.db2.gz PYGYRFGSGYWOQH-QMMMGPOBSA-N -1 3 264.281 0.666 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCC(=O)NC1 ZINC000928712326 648659065 /nfs/dbraw/zinc/65/90/65/648659065.db2.gz RGAHZJRACKBICU-QMMMGPOBSA-N -1 3 266.272 0.674 20 10 CCCDHM CN1C[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]2C1=O ZINC001231450290 805802763 /nfs/dbraw/zinc/80/27/63/805802763.db2.gz DFGYSAVYLYQEFW-NEPJUHHUSA-N -1 3 290.319 0.610 20 10 CCCDHM CN1C[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]2C1=O ZINC001231450290 805802771 /nfs/dbraw/zinc/80/27/71/805802771.db2.gz DFGYSAVYLYQEFW-NEPJUHHUSA-N -1 3 290.319 0.610 20 10 CCCDHM CN1C[C@H](CCNC(=O)c2cccc(O)c2[O-])CC1=O ZINC000723388151 791192404 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800007656 /nfs/dbraw/zinc/00/76/56/800007656.db2.gz JXHDRNIELQVJFF-LLVKDONJSA-N -1 3 274.276 0.956 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1C[C@H](CO)[C@H](O)C1 ZINC001142509098 815069288 /nfs/dbraw/zinc/06/92/88/815069288.db2.gz WUJCOAXJNMMXKM-PRHODGIISA-N -1 3 259.252 0.455 20 10 CCCDHM [O-]c1cc(F)c(F)cc1CN1C[C@H](O)[C@@H](CO)C1 ZINC001142509097 815069328 /nfs/dbraw/zinc/06/93/28/815069328.db2.gz WUJCOAXJNMMXKM-PELKAZGASA-N -1 3 259.252 0.455 20 10 CCCDHM CN(C[C@H](O)C1CC1)C(=O)c1cccc(O)c1[O-] ZINC000690336427 815496143 /nfs/dbraw/zinc/49/61/43/815496143.db2.gz WENUWRYWEIZQPQ-NSHDSACASA-N -1 3 251.282 0.941 20 10 CCCDHM CN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001269561360 813422181 /nfs/dbraw/zinc/42/21/81/813422181.db2.gz MHJVTVNLTGNLDB-BJOHPYRUSA-N -1 3 290.319 0.791 20 10 CCCDHM O=C(N[C@@H](CO)c1ccccn1)c1cccc(O)c1[O-] ZINC001141419845 815868626 /nfs/dbraw/zinc/86/86/26/815868626.db2.gz JXHDRNIELQVJFF-NSHDSACASA-N -1 3 274.276 0.956 20 10 CCCDHM CN[C@H](C(=O)NCc1c([O-])cccc1F)c1cnn(C)c1 ZINC001122172515 816602644 /nfs/dbraw/zinc/60/26/44/816602644.db2.gz CNXRKYDXRYASMC-ZDUSSCGKSA-N -1 3 292.314 0.842 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCCC(=O)[C@@H](F)C1 ZINC001148583038 840849191 /nfs/dbraw/zinc/84/91/91/840849191.db2.gz QCRXJRVCLUKNBV-QMMMGPOBSA-N -1 3 283.255 0.947 20 10 CCCDHM CCOC(=O)CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148585859 840852302 /nfs/dbraw/zinc/85/23/02/840852302.db2.gz BGAZDBRCXNYIGN-UHFFFAOYSA-N -1 3 269.253 0.486 20 10 CCCDHM CN(CCC1OCCO1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584070 840852887 /nfs/dbraw/zinc/85/28/87/840852887.db2.gz MTKMQIURHWFGET-UHFFFAOYSA-N -1 3 283.280 0.638 20 10 CCCDHM Cc1oncc1S(=O)(=O)[N-]Cc1cccc(O)c1O ZINC001187411804 844719579 /nfs/dbraw/zinc/71/95/79/844719579.db2.gz NVSAATUTQKCFJO-UHFFFAOYSA-N -1 3 284.293 0.873 20 10 CCCDHM O=C(N[C@@H](CO)CC(F)F)c1cccc(O)c1[O-] ZINC000717794163 848393218 /nfs/dbraw/zinc/39/32/18/848393218.db2.gz GRHLMVDKZLWLSG-ZCFIWIBFSA-N -1 3 261.224 0.844 20 10 CCCDHM CO[C@@H]1COCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001324805787 913046469 /nfs/dbraw/zinc/04/64/69/913046469.db2.gz IYTNCOLXLOHEGH-BXKDBHETSA-N -1 3 281.308 0.879 20 10 CCCDHM CCOc1ccc(C[NH2+]C[C@](C)(O)C(=O)[O-])c([O-])c1 ZINC001610372890 970733249 /nfs/dbraw/zinc/73/32/49/970733249.db2.gz WABYILATBZFGSA-ZDUSSCGKSA-N -1 3 269.297 0.716 20 10 CCCDHM C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCC(=O)[O-] ZINC001593354000 994986530 /nfs/dbraw/zinc/98/65/30/994986530.db2.gz HVGOPPCASUOWCC-RKDXNWHRSA-N -1 3 266.297 0.632 20 10 CCCDHM COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc2c(cc1[O-])OCO2 ZINC000008107027 348010180 /nfs/dbraw/zinc/01/01/80/348010180.db2.gz YBZXFNBQGQHGQD-UWVGGRQHSA-N -1 3 295.291 0.229 20 10 CCCDHM CNC(=O)CCN(C)C(=O)c1cccc(O)c1[O-] ZINC000188386145 351592115 /nfs/dbraw/zinc/59/21/15/351592115.db2.gz SIEJANCLGKULLK-UHFFFAOYSA-N -1 3 252.270 0.306 20 10 CCCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1CO ZINC000189444454 351680154 /nfs/dbraw/zinc/68/01/54/351680154.db2.gz YOQULAIYBMRLEZ-SCZZXKLOSA-N -1 3 251.282 0.941 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](NC(N)=O)C2)c1[O-] ZINC000270742615 352976878 /nfs/dbraw/zinc/97/68/78/352976878.db2.gz NHQWEOZKPJATLN-NSHDSACASA-N -1 3 295.314 0.977 20 10 CCCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCNC1=O ZINC000282112616 353394550 /nfs/dbraw/zinc/39/45/50/353394550.db2.gz GUQIVCAWPXBQPT-SECBINFHSA-N -1 3 264.281 0.448 20 10 CCCDHM C[S@](=O)C1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000282174647 353399767 /nfs/dbraw/zinc/39/97/67/353399767.db2.gz MILJTSGLYPMPBG-SFHVURJKSA-N -1 3 269.322 0.739 20 10 CCCDHM CNC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000294524009 353889710 /nfs/dbraw/zinc/88/97/10/353889710.db2.gz FIDWPKIEHCVDIO-ZETCQYMHSA-N -1 3 252.270 0.271 20 10 CCCDHM Cc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c([O-])c1O ZINC000267622629 389372822 /nfs/dbraw/zinc/37/28/22/389372822.db2.gz UZBRURIDOKYOBU-VIFPVBQESA-N -1 3 299.348 0.665 20 10 CCCDHM COC(=O)[C@H]1COCCN1Cc1cc2c(cc1[O-])OCO2 ZINC000271180899 389440222 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C[C@@H]1CN(C)C(=O)CN1C(=O)c1cc([O-])cs1 ZINC000783933376 581367845 /nfs/dbraw/zinc/36/78/45/581367845.db2.gz QRZUYYYGRVAZGR-SSDOTTSWSA-N -1 3 254.311 0.756 20 10 CCCDHM COc1cccc([O-])c1CN1CCO[C@H](C(N)=O)C1 ZINC000769218908 581677574 /nfs/dbraw/zinc/67/75/74/581677574.db2.gz WJXCCOREFWGDKZ-LBPRGKRZSA-N -1 3 266.297 0.087 20 10 CCCDHM Cn1c(=O)cc(COC(=O)c2cc([O-])cs2)n(C)c1=O ZINC000731912646 581790527 /nfs/dbraw/zinc/79/05/27/581790527.db2.gz WJZHDXKNLRSSJD-UHFFFAOYSA-N -1 3 296.304 0.208 20 10 CCCDHM C[C@H](NC(=O)c1cc([O-])cs1)[C@@H]1CN(C)CCO1 ZINC000771093946 581791577 /nfs/dbraw/zinc/79/15/77/581791577.db2.gz SIDBBUZGBWREBT-WPRPVWTQSA-N -1 3 270.354 0.903 20 10 CCCDHM CC(C)C(=O)NCCNC(=O)c1cc([O-])cs1 ZINC000732265641 581811500 /nfs/dbraw/zinc/81/15/00/581811500.db2.gz DIUKSOHCEJHBLJ-UHFFFAOYSA-N -1 3 256.327 0.956 20 10 CCCDHM O=C(NCCCn1cncn1)c1cc([O-])cs1 ZINC000732271811 581812634 /nfs/dbraw/zinc/81/26/34/581812634.db2.gz UEPQTNFVABALTM-UHFFFAOYSA-N -1 3 252.299 0.865 20 10 CCCDHM 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-1 3 260.290 0.571 20 10 CCCDHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)CCNC1=O ZINC000928711715 648658987 /nfs/dbraw/zinc/65/89/87/648658987.db2.gz OJPWEFQVFAVFHU-CYBMUJFWSA-N -1 3 266.272 0.674 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCNC1=O ZINC000928706982 648659570 /nfs/dbraw/zinc/65/95/70/648659570.db2.gz ZGKPAFDENXCTMW-QMMMGPOBSA-N -1 3 266.272 0.674 20 10 CCCDHM NC(=O)[C@@H]1CC12CN(Cc1c([O-])cccc1F)C2 ZINC001277484370 805725880 /nfs/dbraw/zinc/72/58/80/805725880.db2.gz NEHUUMFJOZLANA-VIFPVBQESA-N -1 3 250.273 0.839 20 10 CCCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@H](CO)[C@H](O)C1 ZINC001237124648 806640457 /nfs/dbraw/zinc/64/04/57/806640457.db2.gz PVMGFAYLWWECSO-RDDDGLTNSA-N -1 3 275.707 0.970 20 10 CCCDHM C[C@@H]1CN(CCO)CCN1C(=O)c1cccc(O)c1[O-] ZINC000837192046 799992769 /nfs/dbraw/zinc/99/27/69/799992769.db2.gz QTCCSAFOPNAEAO-SNVBAGLBSA-N -1 3 280.324 0.236 20 10 CCCDHM O=C(NC1CN(c2ccncn2)C1)c1cccc(O)c1[O-] ZINC001152385337 800515893 /nfs/dbraw/zinc/51/58/93/800515893.db2.gz PPFJAECUHUFDMU-UHFFFAOYSA-N -1 3 286.291 0.506 20 10 CCCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H]1O ZINC000400464129 803769769 /nfs/dbraw/zinc/76/97/69/803769769.db2.gz UFSBYDYGOZVVRH-KCJUWKMLSA-N -1 3 251.282 0.941 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN(CCF)CC1 ZINC000402988395 803829604 /nfs/dbraw/zinc/82/96/04/803829604.db2.gz LFXISGRSCDNDRU-UHFFFAOYSA-N -1 3 268.288 0.825 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC(N2CC(F)C2)C1 ZINC001148212937 840761613 /nfs/dbraw/zinc/76/16/13/840761613.db2.gz POLVPAXDTDPBCO-UHFFFAOYSA-N -1 3 266.272 0.576 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001148218364 840764157 /nfs/dbraw/zinc/76/41/57/840764157.db2.gz ALPPIRCYNRRWFN-DTORHVGOSA-N -1 3 277.276 0.670 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCc2n[nH]cc2C1 ZINC001148582205 840849097 /nfs/dbraw/zinc/84/90/97/840849097.db2.gz FQDFAHZXUOKNGL-UHFFFAOYSA-N -1 3 275.264 0.725 20 10 CCCDHM O=C(NCCN1CCCCC1=O)c1cc(O)c([O-])c(O)c1 ZINC001148582152 840851023 /nfs/dbraw/zinc/85/10/23/840851023.db2.gz YVSMSEZVVLCFKL-UHFFFAOYSA-N -1 3 294.307 0.546 20 10 CCCDHM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582524 840851150 /nfs/dbraw/zinc/85/11/50/840851150.db2.gz JQQOXEXMWYJQAZ-YUMQZZPRSA-N -1 3 299.254 0.529 20 10 CCCDHM C[C@H]1CN(C)C(=O)CN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588291 840853094 /nfs/dbraw/zinc/85/30/94/840853094.db2.gz RAPLYPLGCANFOX-ZETCQYMHSA-N -1 3 280.280 0.106 20 10 CCCDHM CCN(CC)CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001180390716 843160459 /nfs/dbraw/zinc/16/04/59/843160459.db2.gz GQLQMXIZDHUDGB-UHFFFAOYSA-N -1 3 280.324 0.739 20 10 CCCDHM O=C(NCCc1cnccn1)c1cccc(O)c1[O-] ZINC000390690340 854036007 /nfs/dbraw/zinc/03/60/07/854036007.db2.gz AUBFEJBQIFWBFR-UHFFFAOYSA-N -1 3 259.265 0.860 20 10 CCCDHM C[C@@H](O)[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC001333186526 918718158 /nfs/dbraw/zinc/71/81/58/918718158.db2.gz JFMUEJHQCVDRNY-KRTXAFLBSA-N -1 3 288.294 0.954 20 10 CCCDHM NC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126218611 260346415 /nfs/dbraw/zinc/34/64/15/260346415.db2.gz UJTJVMAPNRFJHT-MRVPVSSYSA-N -1 3 264.281 0.435 20 10 CCCDHM CN1C[C@H](NC(=O)c2cccc(O)c2[O-])CCC1=O ZINC000126446761 260351964 /nfs/dbraw/zinc/35/19/64/260351964.db2.gz XUJNESOAAOMIEE-MRVPVSSYSA-N -1 3 264.281 0.448 20 10 CCCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1CO ZINC000189444474 351680427 /nfs/dbraw/zinc/68/04/27/351680427.db2.gz YOQULAIYBMRLEZ-WPRPVWTQSA-N -1 3 251.282 0.941 20 10 CCCDHM CC(C)(C(N)=O)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272224699 353044587 /nfs/dbraw/zinc/04/45/87/353044587.db2.gz CQGMOWVRIZBRLV-UHFFFAOYSA-N -1 3 295.358 0.913 20 10 CCCDHM CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000188393501 388926058 /nfs/dbraw/zinc/92/60/58/388926058.db2.gz ZJLSVVFOPIYICG-LLVKDONJSA-N -1 3 278.308 0.694 20 10 CCCDHM CN(C)C(=O)CCCNC(=O)c1cccc(O)c1[O-] ZINC000192990123 389058518 /nfs/dbraw/zinc/05/85/18/389058518.db2.gz HFJFAIIZAFMYBH-UHFFFAOYSA-N -1 3 266.297 0.696 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@H]2CO)c1[O-] ZINC000248389400 389245512 /nfs/dbraw/zinc/24/55/12/389245512.db2.gz GIJXVOQOBFUBAT-NWDGAFQWSA-N -1 3 283.299 0.661 20 10 CCCDHM O=C1NC[C@H]2CN(Cc3cccc(F)c3[O-])CCN12 ZINC000160247007 389384600 /nfs/dbraw/zinc/38/46/00/389384600.db2.gz YBADYYYXVMZNFF-JTQLQIEISA-N -1 3 265.288 0.741 20 10 CCCDHM CCS(=O)(=O)CCN(C)C(=O)c1cc([O-])cs1 ZINC000760877250 581707264 /nfs/dbraw/zinc/70/72/64/581707264.db2.gz GJOZJDBRKUMNDG-UHFFFAOYSA-N -1 3 277.367 0.960 20 10 CCCDHM NC(=O)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126327421 260349997 /nfs/dbraw/zinc/34/99/97/260349997.db2.gz RXZDWSDFVWCLBY-SECBINFHSA-N -1 3 264.281 0.578 20 10 CCCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])C(N)=O ZINC000189356288 329380130 /nfs/dbraw/zinc/38/01/30/329380130.db2.gz VYPOVMCZEJFVEW-VIFPVBQESA-N -1 3 252.270 0.338 20 10 CCCDHM COC(=O)[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000281909290 523876198 /nfs/dbraw/zinc/87/61/98/523876198.db2.gz URHPDAHJNIFBBS-ZETCQYMHSA-N -1 3 253.254 0.731 20 10 CCCDHM CNC(=O)CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050133784 524071202 /nfs/dbraw/zinc/07/12/02/524071202.db2.gz UVRSRZJTVRZPJR-UHFFFAOYSA-N -1 3 268.288 0.912 20 10 CCCDHM CS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280586083 525237722 /nfs/dbraw/zinc/23/77/22/525237722.db2.gz XCHSZPLYJBXDFA-VIFPVBQESA-N -1 3 299.348 0.747 20 10 CCCDHM NS(=O)(=O)C[C@@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000779015689 581172685 /nfs/dbraw/zinc/17/26/85/581172685.db2.gz BCVPKQDBPDRDLH-NSHDSACASA-N -1 3 288.344 0.784 20 10 CCCDHM CC(C)COC[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000790841600 581200586 /nfs/dbraw/zinc/20/05/86/581200586.db2.gz VLICVSULILFYRK-SNVBAGLBSA-N -1 3 283.324 0.861 20 10 CCCDHM CC(C)(O)C1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000781873268 581279308 /nfs/dbraw/zinc/27/93/08/581279308.db2.gz WPVCTLLEAKOJCB-UHFFFAOYSA-N -1 3 251.282 0.941 20 10 CCCDHM Cc1ccc(C(=O)NCCn2ccnn2)c([O-])c1O ZINC000782828050 581321347 /nfs/dbraw/zinc/32/13/47/581321347.db2.gz KOPCCLNEKWKLBM-UHFFFAOYSA-N -1 3 262.269 0.428 20 10 CCCDHM CNS(=O)(=O)CCN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000784055709 581371680 /nfs/dbraw/zinc/37/16/80/581371680.db2.gz KAGROZVEYUJSDN-SSDOTTSWSA-N -1 3 294.323 0.870 20 10 CCCDHM C[C@@H](O)C(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000766253404 581559776 /nfs/dbraw/zinc/55/97/76/581559776.db2.gz WNBKTCMJQDQLMC-MRVPVSSYSA-N -1 3 284.337 0.119 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2CNC(=O)C2)c([O-])c1O ZINC000755938572 581650476 /nfs/dbraw/zinc/65/04/76/581650476.db2.gz UXASBHMPTJMWRZ-SSDOTTSWSA-N -1 3 250.254 0.025 20 10 CCCDHM COCCN1CCN(C(=O)c2cc([O-])cs2)CC1=O ZINC000768880859 581661378 /nfs/dbraw/zinc/66/13/78/581661378.db2.gz KCUCTAGJNCVGMY-UHFFFAOYSA-N -1 3 284.337 0.385 20 10 CCCDHM COc1cccc([O-])c1CN1CCS(=O)(=O)CC1 ZINC000769315880 581683038 /nfs/dbraw/zinc/68/30/38/581683038.db2.gz GCWLFTIDLDTUJM-UHFFFAOYSA-N -1 3 271.338 0.631 20 10 CCCDHM CNC(=O)N1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000769497384 581692962 /nfs/dbraw/zinc/69/29/62/581692962.db2.gz CIWZSSWUFFHHIS-UHFFFAOYSA-N -1 3 279.340 0.858 20 10 CCCDHM NC(=O)c1cc(NC(=O)c2cc([O-])cs2)n[nH]1 ZINC000757903189 581713634 /nfs/dbraw/zinc/71/36/34/581713634.db2.gz JBOGOGXBMYCSIX-UHFFFAOYSA-N -1 3 252.255 0.528 20 10 CCCDHM C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000762506382 581948568 /nfs/dbraw/zinc/94/85/68/581948568.db2.gz FEMOXINMFXJKMB-SECBINFHSA-N -1 3 299.348 0.747 20 10 CCCDHM O=C1N=NC2CN(Cc3cc4c(cc3[O-])OCO4)CCN12 ZINC000776521670 582075908 /nfs/dbraw/zinc/07/59/08/582075908.db2.gz XQNIYDQIZLILMJ-UHFFFAOYSA-N -1 3 290.279 0.434 20 10 CCCDHM CN(Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCNC1=O ZINC000768465455 582107096 /nfs/dbraw/zinc/10/70/96/582107096.db2.gz NCKDJXOOTKRULX-JQWIXIFHSA-N -1 3 278.308 0.138 20 10 CCCDHM O=C([O-])[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000821511751 598098425 /nfs/dbraw/zinc/09/84/25/598098425.db2.gz QFLBMTKGVQDZBX-UFBFGSQYSA-N -1 3 279.292 0.725 20 10 CCCDHM O=C([O-])[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000821511751 598098428 /nfs/dbraw/zinc/09/84/28/598098428.db2.gz QFLBMTKGVQDZBX-UFBFGSQYSA-N -1 3 279.292 0.725 20 10 CCCDHM CC(=O)N(C)CC(=O)NCc1c([O-])cccc1F ZINC000928711655 613699924 /nfs/dbraw/zinc/69/99/24/613699924.db2.gz KUSCDBGKBPTRBP-UHFFFAOYSA-N -1 3 254.261 0.626 20 10 CCCDHM CN(C[C@H]1COCCO1)C(=O)c1cccc(O)c1[O-] ZINC000855682280 616162784 /nfs/dbraw/zinc/16/27/84/616162784.db2.gz NMBVVWFEIGGXIX-VIFPVBQESA-N -1 3 267.281 0.585 20 10 CCCDHM CNC(=O)C1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894978061 616555630 /nfs/dbraw/zinc/55/56/30/616555630.db2.gz DXHHJCOBTLIXBF-UHFFFAOYSA-N -1 3 256.252 0.848 20 10 CCCDHM COC[C@@H](C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452417 616839769 /nfs/dbraw/zinc/83/97/69/616839769.db2.gz OOHJRSUALLPVQX-MRVPVSSYSA-N -1 3 277.317 0.986 20 10 CCCDHM COC(=O)NCCNC(=O)NCc1c([O-])cccc1F ZINC000922776963 616891489 /nfs/dbraw/zinc/89/14/89/616891489.db2.gz WBKOOKWNWSVFLI-UHFFFAOYSA-N -1 3 285.275 0.687 20 10 CCCDHM COCc1nc(C(=O)NCc2c([O-])cccc2F)no1 ZINC000902944937 616927914 /nfs/dbraw/zinc/92/79/14/616927914.db2.gz OILRKDXPWNKAJB-UHFFFAOYSA-N -1 3 281.243 0.991 20 10 CCCDHM COCC[C@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000229413127 637113824 /nfs/dbraw/zinc/11/38/24/637113824.db2.gz ZSQWTGCLPUJJFO-ZDUSSCGKSA-N -1 3 269.297 0.615 20 10 CCCDHM CS(=O)(=O)CCNC(=O)NCc1c([O-])cccc1F ZINC000916505645 637903588 /nfs/dbraw/zinc/90/35/88/637903588.db2.gz XGZKXWHPDGYASM-UHFFFAOYSA-N -1 3 290.316 0.375 20 10 CCCDHM Cn1cnc(CCCNC(=O)c2cccc(O)c2[O-])n1 ZINC000843979513 643133077 /nfs/dbraw/zinc/13/30/77/643133077.db2.gz WNOHOWHVADSHQD-UHFFFAOYSA-N -1 3 276.296 0.589 20 10 CCCDHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(O)c1[O-] ZINC000126329837 646727940 /nfs/dbraw/zinc/72/79/40/646727940.db2.gz HKMLUMSEQQGRCE-BDAKNGLRSA-N -1 3 278.308 0.824 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000126500797 646810153 /nfs/dbraw/zinc/81/01/53/646810153.db2.gz XWCHRZZJIMFSCW-KOLCDFICSA-N -1 3 290.319 0.839 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCNC(=O)C1 ZINC000928706542 648659679 /nfs/dbraw/zinc/65/96/79/648659679.db2.gz WKWCLDCYYVXZAO-QMMMGPOBSA-N -1 3 266.272 0.674 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@@H](CO)C2)c1[O-] ZINC000396850719 790551382 /nfs/dbraw/zinc/55/13/82/790551382.db2.gz KRWYKEYWDUWOJO-BXUZGUMPSA-N -1 3 297.326 0.909 20 10 CCCDHM Cn1nnc(CNCc2c([O-])cccc2Br)n1 ZINC000706824813 791135282 /nfs/dbraw/zinc/13/52/82/791135282.db2.gz GICVFVMKQAOYDM-UHFFFAOYSA-N -1 3 298.144 0.968 20 10 CCCDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])CCC(=O)N1 ZINC000837221785 799994549 /nfs/dbraw/zinc/99/45/49/799994549.db2.gz VLJZVOFXZMLEOK-CYBMUJFWSA-N -1 3 264.281 0.496 20 10 CCCDHM NC(=O)c1cccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001156170342 801120442 /nfs/dbraw/zinc/12/04/42/801120442.db2.gz LMRKZTRYJDECCV-UHFFFAOYSA-N -1 3 289.266 0.955 20 10 CCCDHM COC(=O)c1cncc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001148212982 840763988 /nfs/dbraw/zinc/76/39/88/840763988.db2.gz TXQTZUQNSHLPPX-UHFFFAOYSA-N -1 3 289.247 0.927 20 10 CCCDHM CC(=O)NC[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC001148224320 840766765 /nfs/dbraw/zinc/76/67/65/840766765.db2.gz HOFPKECCGLHQIG-QMMMGPOBSA-N -1 3 266.297 0.600 20 10 CCCDHM COC[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001148590299 840856033 /nfs/dbraw/zinc/85/60/33/840856033.db2.gz GSUMJIQISMFMBM-SECBINFHSA-N -1 3 267.281 0.958 20 10 CCCDHM CN(C)C1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001182603084 843875235 /nfs/dbraw/zinc/87/52/35/843875235.db2.gz SBVVPFXRDWDAAZ-UHFFFAOYSA-N -1 3 278.308 0.491 20 10 CCCDHM NC(=O)[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139682995 855681156 /nfs/dbraw/zinc/68/11/56/855681156.db2.gz GNAUKNOSZPMOFK-SSDOTTSWSA-N -1 3 256.252 0.978 20 10 CCCDHM Nc1nnc(CC(=O)NCc2c([O-])cccc2F)s1 ZINC001303876325 904076419 /nfs/dbraw/zinc/07/64/19/904076419.db2.gz YMPZDWUCOQYIOR-UHFFFAOYSA-N -1 3 282.300 0.824 20 10 CCCDHM COc1cccc([O-])c1C[NH2+]C[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599680400 994971962 /nfs/dbraw/zinc/97/19/62/994971962.db2.gz OYGNDLSDYWJWDV-NOZJJQNGSA-N -1 3 281.308 0.980 20 10 CCCDHM O=C1NCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000295096262 199342270 /nfs/dbraw/zinc/34/22/70/199342270.db2.gz SCVVPAXJPPBLDW-JTQLQIEISA-N -1 3 265.269 0.669 20 10 CCCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])N1CCN(C)CC1 ZINC000187106862 351528530 /nfs/dbraw/zinc/52/85/30/351528530.db2.gz HOKIUHLZHSXNTI-NSHDSACASA-N -1 3 293.367 0.464 20 10 CCCDHM CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000188393522 351591657 /nfs/dbraw/zinc/59/16/57/351591657.db2.gz ZJLSVVFOPIYICG-NSHDSACASA-N -1 3 278.308 0.694 20 10 CCCDHM Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c([O-])c1O ZINC000272801572 353095851 /nfs/dbraw/zinc/09/58/51/353095851.db2.gz YQKLDFTYGRMMHU-PSASIEDQSA-N -1 3 294.307 0.169 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)NCCF ZINC000282873674 353459184 /nfs/dbraw/zinc/45/91/84/353459184.db2.gz UUWYNXMTRTZWIQ-ZETCQYMHSA-N -1 3 270.260 0.302 20 10 CCCDHM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])N(C)C ZINC000294968095 353891591 /nfs/dbraw/zinc/89/15/91/353891591.db2.gz XDLGYTHTQXTUJH-SSDOTTSWSA-N -1 3 256.277 0.917 20 10 CCCDHM O=C1N[C@@H](c2cc3c(cc2[O-])OCO3)N2CCSC[C@@H]12 ZINC000270832360 296388393 /nfs/dbraw/zinc/38/83/93/296388393.db2.gz UMLVCHPWJSFBLA-QPUJVOFHSA-N -1 3 294.332 0.667 20 10 CCCDHM CCCOc1ccc(CN2CCO[C@H](C(N)=O)C2)c([O-])c1 ZINC000092735557 389031860 /nfs/dbraw/zinc/03/18/60/389031860.db2.gz IECWTTNGUONIEJ-AWEZNQCLSA-N -1 3 294.351 0.867 20 10 CCCDHM C[C@H](C[S@@](C)=O)NC(=O)c1cccc(O)c1[O-] ZINC000126550856 389170993 /nfs/dbraw/zinc/17/09/93/389170993.db2.gz SBZNHTYPUUDZRU-GJEGPGMTSA-N -1 3 257.311 0.595 20 10 CCCDHM Cn1nncc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000267528360 389372523 /nfs/dbraw/zinc/37/25/23/389372523.db2.gz QVSGHDAPDDWARX-UHFFFAOYSA-N -1 3 263.257 0.719 20 10 CCCDHM COc1c([O-])c(CN2C[C@H](O)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000373896599 389526954 /nfs/dbraw/zinc/52/69/54/389526954.db2.gz GOBHYBAGCWUQRM-VHSXEESVSA-N -1 3 298.295 0.237 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H](CO)[C@H]2CCOC2)c([O-])c1O ZINC000281810690 389624710 /nfs/dbraw/zinc/62/47/10/389624710.db2.gz NJKGMHJNURNSQF-QWRGUYRKSA-N -1 3 295.335 0.781 20 10 CCCDHM CNC(=O)[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000182462328 389709064 /nfs/dbraw/zinc/70/90/64/389709064.db2.gz IAIVZAJJQVKARG-GFCCVEGCSA-N -1 3 268.288 0.478 20 10 CCCDHM C[C@H](CC[S@@](C)=O)NC(=O)c1cccc(O)c1[O-] ZINC000126554604 264221897 /nfs/dbraw/zinc/22/18/97/264221897.db2.gz TUCIAMXXTZWJLQ-CVJBHZAOSA-N -1 3 271.338 0.985 20 10 CCCDHM CCONC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048923971 520240685 /nfs/dbraw/zinc/24/06/85/520240685.db2.gz AZBAZFAGHAFCDM-UHFFFAOYSA-N -1 3 274.298 0.445 20 10 CCCDHM CCOCCOC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279795280 519978027 /nfs/dbraw/zinc/97/80/27/519978027.db2.gz IYVPYRIGSHAVME-UHFFFAOYSA-N -1 3 281.308 0.975 20 10 CCCDHM COc1c([O-])c(CN[C@H]2COC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000290367952 521882882 /nfs/dbraw/zinc/88/28/82/521882882.db2.gz AHVRYSUIUKNMPR-ONGXEEELSA-N -1 3 298.295 0.812 20 10 CCCDHM COC(=O)[C@@H](C)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126341106 523499104 /nfs/dbraw/zinc/49/91/04/523499104.db2.gz YABMCXAZNBOEHQ-QMMMGPOBSA-N -1 3 267.281 0.979 20 10 CCCDHM CN1C[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC000263733515 524024698 /nfs/dbraw/zinc/02/46/98/524024698.db2.gz MEKLRYLLLMYZRL-SECBINFHSA-N -1 3 265.269 0.621 20 10 CCCDHM CNC(=O)[C@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000291887306 524100655 /nfs/dbraw/zinc/10/06/55/524100655.db2.gz KFAUCXKTQLYLJW-BDAKNGLRSA-N -1 3 280.324 0.964 20 10 CCCDHM CS(=O)(=O)CCN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000279828580 525120072 /nfs/dbraw/zinc/12/00/72/525120072.db2.gz MZIUPPYGFVXPOR-UHFFFAOYSA-N -1 3 299.348 0.747 20 10 CCCDHM Cc1ccc(C(=O)N2CC[C@@](C)(C(N)=O)C2)c([O-])c1O ZINC000280209440 526127816 /nfs/dbraw/zinc/12/78/16/526127816.db2.gz XODXLQCWPVOGDD-CQSZACIVSA-N -1 3 278.308 0.744 20 10 CCCDHM Cc1ccc(C(=O)NC[C@]2(O)CCO[C@@H]2C)c([O-])c1O ZINC000279642715 526183201 /nfs/dbraw/zinc/18/32/01/526183201.db2.gz ZFLQILIBHSILOW-YMTOWFKASA-N -1 3 281.308 0.676 20 10 CCCDHM Cn1cc([C@H](CO)NC(=O)c2cc([O-])cs2)cn1 ZINC000778512871 581158472 /nfs/dbraw/zinc/15/84/72/581158472.db2.gz WTFSSSOJYSMBFP-VIFPVBQESA-N -1 3 267.310 0.651 20 10 CCCDHM COC(=O)[C@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000777191017 581109995 /nfs/dbraw/zinc/10/99/95/581109995.db2.gz DPBIIUDVQQCTSP-SNVBAGLBSA-N -1 3 259.283 0.108 20 10 CCCDHM COC[C@@H](NCc1cc(F)ccc1[O-])C(=O)OC ZINC000789574232 581151849 /nfs/dbraw/zinc/15/18/49/581151849.db2.gz CBPQTZFZJSJFAI-SNVBAGLBSA-N -1 3 257.261 0.809 20 10 CCCDHM C[C@@H](O)c1cn(C2CN(C(=O)c3cc([O-])cs3)C2)nn1 ZINC000780753030 581244228 /nfs/dbraw/zinc/24/42/28/581244228.db2.gz YRCLOFXDHHTMNI-SSDOTTSWSA-N -1 3 294.336 0.796 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](CO)c2cnn(C)c2)c([O-])c1O ZINC000780993536 581255052 /nfs/dbraw/zinc/25/50/52/581255052.db2.gz ROPYFYHCMSBYMY-LLVKDONJSA-N -1 3 291.307 0.603 20 10 CCCDHM CO[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H]1OC ZINC000754439602 581591622 /nfs/dbraw/zinc/59/16/22/581591622.db2.gz YEYMMHFFOHGUBP-DTORHVGOSA-N -1 3 257.311 0.940 20 10 CCCDHM COCC(=O)NC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732272003 581812938 /nfs/dbraw/zinc/81/29/38/581812938.db2.gz CVJQNLYROQWSEG-UHFFFAOYSA-N -1 3 298.364 0.821 20 10 CCCDHM CC[C@H]1C(=O)NCCN1C(=O)c1cc([O-])cs1 ZINC000732288549 581818225 /nfs/dbraw/zinc/81/82/25/581818225.db2.gz CCQAPURBMABZHV-QMMMGPOBSA-N -1 3 254.311 0.804 20 10 CCCDHM COc1cccc([O-])c1CN1CCN(CCO)CC1 ZINC000771926038 581834322 /nfs/dbraw/zinc/83/43/22/581834322.db2.gz AHQFWEJQMJMRFK-UHFFFAOYSA-N -1 3 266.341 0.511 20 10 CCCDHM O=C(NC[C@@H](O)COCC1CC1)c1cc([O-])cs1 ZINC000748407522 581973973 /nfs/dbraw/zinc/97/39/73/581973973.db2.gz RVAKOYWNLBVEEL-SNVBAGLBSA-N -1 3 271.338 0.971 20 10 CCCDHM COCC[C@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000748426106 581975300 /nfs/dbraw/zinc/97/53/00/581975300.db2.gz PJHZDUCGJOGMBL-NSHDSACASA-N -1 3 259.327 0.971 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@H](O)C2)c1[O-] ZINC000752095441 582101046 /nfs/dbraw/zinc/10/10/46/582101046.db2.gz VJEOXCNNWFCVCZ-TXEJJXNPSA-N -1 3 283.299 0.661 20 10 CCCDHM NC1=NC(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)S1 ZINC000095216812 598868021 /nfs/dbraw/zinc/86/80/21/598868021.db2.gz KUVSRVLRYZHJDG-YVMONPNESA-N -1 3 272.293 0.796 20 10 CCCDHM NC1=NC(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)S1 ZINC000095216812 598868022 /nfs/dbraw/zinc/86/80/22/598868022.db2.gz KUVSRVLRYZHJDG-YVMONPNESA-N -1 3 272.293 0.796 20 10 CCCDHM COc1ccc(O)c([C@@H](C)NCC(=O)NCCC(=O)[O-])c1 ZINC000833733582 617273877 /nfs/dbraw/zinc/27/38/77/617273877.db2.gz KRBBHZHTPYSHKZ-SECBINFHSA-N -1 3 296.323 0.642 20 10 CCCDHM CCN(CC(=O)NC)C(=O)c1cccc(O)c1[O-] ZINC000126292707 614934966 /nfs/dbraw/zinc/93/49/66/614934966.db2.gz PJXAHYLYBNSBHZ-UHFFFAOYSA-N -1 3 252.270 0.306 20 10 CCCDHM COC(=O)C12CC(C1)CN2C(=O)c1cccc(O)c1[O-] ZINC000855521460 616400913 /nfs/dbraw/zinc/40/09/13/616400913.db2.gz CNDOEJJEVWNKRY-UHFFFAOYSA-N -1 3 277.276 0.875 20 10 CCCDHM COC(=O)NCC(=O)NCc1c([O-])cccc1F ZINC000928712672 616867483 /nfs/dbraw/zinc/86/74/83/616867483.db2.gz VVUXHLDCKBVRHN-UHFFFAOYSA-N -1 3 256.233 0.504 20 10 CCCDHM CON(C)C(=O)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000863707690 617052154 /nfs/dbraw/zinc/05/21/54/617052154.db2.gz FJUKDDMQVBEGIC-SSDOTTSWSA-N -1 3 268.269 0.236 20 10 CCCDHM NC(=O)CCCCNC(=O)c1cccc(O)c1[O-] ZINC000229417063 623101799 /nfs/dbraw/zinc/10/17/99/623101799.db2.gz AUWAXZYYAGGHJK-UHFFFAOYSA-N -1 3 252.270 0.483 20 10 CCCDHM Cc1cc([O-])c(CN2CCN(C(=O)CO)CC2)c(Cl)c1 ZINC000840942941 631047701 /nfs/dbraw/zinc/04/77/01/631047701.db2.gz BKMHUMVAFCREOF-UHFFFAOYSA-N -1 3 298.770 0.991 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2CC2)c1 ZINC000048925036 631864183 /nfs/dbraw/zinc/86/41/83/631864183.db2.gz BCHKRDFNAQQBIB-UHFFFAOYSA-N -1 3 284.337 0.904 20 10 CCCDHM [O-]c1c(F)cc(F)cc1CN1CCC(CO)(CO)C1 ZINC000895312908 632050526 /nfs/dbraw/zinc/05/05/26/632050526.db2.gz WOVCVSJZZKMNIK-UHFFFAOYSA-N -1 3 273.279 0.847 20 10 CCCDHM O=C1NC(=O)C2(CN(Cc3cc(Cl)ccc3[O-])C2)N1 ZINC000897907057 633256226 /nfs/dbraw/zinc/25/62/26/633256226.db2.gz LUKJTNKXDGUACZ-UHFFFAOYSA-N -1 3 281.699 0.439 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1COC(=O)C1 ZINC000923758635 637997693 /nfs/dbraw/zinc/99/76/93/637997693.db2.gz JTNRARNOYDCLED-ZETCQYMHSA-N -1 3 268.244 0.646 20 10 CCCDHM O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1cccc(O)c1[O-] ZINC000837252944 642731745 /nfs/dbraw/zinc/73/17/45/642731745.db2.gz FSNLYIRTZAWOLU-ONGXEEELSA-N -1 3 290.319 0.981 20 10 CCCDHM Cc1cc(NCCNC(=O)c2cccc(O)c2[O-])n(C)n1 ZINC000846642359 643434036 /nfs/dbraw/zinc/43/40/36/643434036.db2.gz AVTNJQVPJQYEOA-UHFFFAOYSA-N -1 3 290.323 0.982 20 10 CCCDHM Cn1nnc2c1CC[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC000848313676 643620877 /nfs/dbraw/zinc/62/08/77/643620877.db2.gz WFFOEHRDIBSMTI-QMMMGPOBSA-N -1 3 288.307 0.514 20 10 CCCDHM Cn1nnc2c1CC[C@@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC000848313675 643620977 /nfs/dbraw/zinc/62/09/77/643620977.db2.gz WFFOEHRDIBSMTI-MRVPVSSYSA-N -1 3 288.307 0.514 20 10 CCCDHM [O-]c1cccc(Br)c1CN(CCO)CCO ZINC000862429116 644999660 /nfs/dbraw/zinc/99/96/60/644999660.db2.gz BEMNBDLHNCBLJE-UHFFFAOYSA-N -1 3 290.157 0.941 20 10 CCCDHM NC(=O)[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000862818117 645039876 /nfs/dbraw/zinc/03/98/76/645039876.db2.gz GRLMPTWZGOFPQP-LJGSYFOKSA-N -1 3 250.254 0.092 20 10 CCCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1O ZINC000159264872 649317401 /nfs/dbraw/zinc/31/74/01/649317401.db2.gz RGZOQQAZGTUHCC-SCZZXKLOSA-N -1 3 251.282 0.941 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](O)[C@H](CO)C2)c1[O-] ZINC000396850721 790551176 /nfs/dbraw/zinc/55/11/76/790551176.db2.gz KRWYKEYWDUWOJO-FZMZJTMJSA-N -1 3 297.326 0.909 20 10 CCCDHM C[C@]1(CO)CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1O ZINC001231445957 805804756 /nfs/dbraw/zinc/80/47/56/805804756.db2.gz DCXWTIQMMMVAAH-UKRRQHHQSA-N -1 3 295.335 0.656 20 10 CCCDHM C[C@]1(CO)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1O ZINC001231445957 805804767 /nfs/dbraw/zinc/80/47/67/805804767.db2.gz DCXWTIQMMMVAAH-UKRRQHHQSA-N -1 3 295.335 0.656 20 10 CCCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](O)[C@@H](CO)C1 ZINC001233332616 806043919 /nfs/dbraw/zinc/04/39/19/806043919.db2.gz RJBIQTDEFMQAOZ-KCJUWKMLSA-N -1 3 273.279 0.846 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CC[C@](O)(C(F)F)C1 ZINC001141127895 799982217 /nfs/dbraw/zinc/98/22/17/799982217.db2.gz XNWDEEDFUVPAFF-GFCCVEGCSA-N -1 3 273.235 0.940 20 10 CCCDHM CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cccc(O)c1[O-] ZINC001150939229 800379240 /nfs/dbraw/zinc/37/92/40/800379240.db2.gz OCESXWYLUSFUTM-JTQLQIEISA-N -1 3 297.307 0.748 20 10 CCCDHM COC(=O)C[C@@]1(NC(=O)c2cccc(O)c2[O-])CCOC1 ZINC001153838783 800676095 /nfs/dbraw/zinc/67/60/95/800676095.db2.gz XXCVZCHLSSIKOA-AWEZNQCLSA-N -1 3 295.291 0.550 20 10 CCCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H]1O ZINC000400464130 803769812 /nfs/dbraw/zinc/76/98/12/803769812.db2.gz UFSBYDYGOZVVRH-KWQFWETISA-N -1 3 251.282 0.941 20 10 CCCDHM CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000382504658 809550624 /nfs/dbraw/zinc/55/06/24/809550624.db2.gz OSEXOGNIBJNLER-MWLCHTKSSA-N -1 3 267.281 0.632 20 10 CCCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)NC ZINC000697358409 814847877 /nfs/dbraw/zinc/84/78/77/814847877.db2.gz MDCPTCVNIGRVJY-QMMMGPOBSA-N -1 3 252.270 0.352 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCNCC(F)(F)C1 ZINC001148212066 840762528 /nfs/dbraw/zinc/76/25/28/840762528.db2.gz KGRKDLNYQAEEDT-UHFFFAOYSA-N -1 3 272.251 0.779 20 10 CCCDHM CC1(C)C(=O)NC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001148225295 840766147 /nfs/dbraw/zinc/76/61/47/840766147.db2.gz KEHPCZMWNCUSDR-SECBINFHSA-N -1 3 264.281 0.352 20 10 CCCDHM CN(Cc1ncccn1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581684 840849432 /nfs/dbraw/zinc/84/94/32/840849432.db2.gz RLDUYMBHKKDVTO-UHFFFAOYSA-N -1 3 275.264 0.866 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1Cc2cncnc2C1 ZINC001148582121 840849459 /nfs/dbraw/zinc/84/94/59/840849459.db2.gz XQZPCLWFDMSEQC-UHFFFAOYSA-N -1 3 273.248 0.749 20 10 CCCDHM C[C@]1(CO)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1O ZINC001148583298 840853018 /nfs/dbraw/zinc/85/30/18/840853018.db2.gz XDHLNHASPOHWNX-SMDDNHRTSA-N -1 3 297.307 0.009 20 10 CCCDHM O=C(NCc1cccnn1)c1cc(O)c([O-])c(O)c1 ZINC001148589900 840856942 /nfs/dbraw/zinc/85/69/42/840856942.db2.gz QAWCSEXYFBZWNP-UHFFFAOYSA-N -1 3 261.237 0.523 20 10 CCCDHM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc(O)c([O-])c(O)c1 ZINC001148589620 840857038 /nfs/dbraw/zinc/85/70/38/840857038.db2.gz FBZXYJWQKJDPDB-SECBINFHSA-N -1 3 289.291 0.814 20 10 CCCDHM O=C(NCC[C@@H](O)C(F)F)c1cccc(O)c1[O-] ZINC000717412250 848256239 /nfs/dbraw/zinc/25/62/39/848256239.db2.gz GYEHBMDITDSAHN-MRVPVSSYSA-N -1 3 261.224 0.844 20 10 CCCDHM CC(C)N(CCOCCO)C(=O)c1cccc(O)c1[O-] ZINC000383804217 853067452 /nfs/dbraw/zinc/06/74/52/853067452.db2.gz OTRYLBWZTQUKAY-UHFFFAOYSA-N -1 3 283.324 0.957 20 10 CCCDHM C[C@@H]1[C@H](NC(=O)c2cccc(O)c2[O-])CCS1(=O)=O ZINC000389312749 853989973 /nfs/dbraw/zinc/98/99/73/853989973.db2.gz RFWUOOBZIRTECO-VXNVDRBHSA-N -1 3 285.321 0.403 20 10 CCCDHM O=C(NCC(=O)N1CCCC1)NCc1c([O-])cccc1F ZINC001339770601 921823031 /nfs/dbraw/zinc/82/30/31/921823031.db2.gz CDTGUIUNRTZACK-UHFFFAOYSA-N -1 3 295.314 0.953 20 10 CCCDHM CN(CCNS(C)(=O)=O)Cc1cc(F)cc(F)c1[O-] ZINC001353580901 925877411 /nfs/dbraw/zinc/87/74/11/925877411.db2.gz CVMKRNFTFKQXSU-UHFFFAOYSA-N -1 3 294.323 0.651 20 10 CCCDHM COC(=O)N1CC(C)(NC(=O)c2cccc(O)c2[O-])C1 ZINC001353800982 925933620 /nfs/dbraw/zinc/93/36/20/925933620.db2.gz SWCSAIAFABLGMF-UHFFFAOYSA-N -1 3 280.280 0.668 20 10 CCCDHM CNS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1[O-] ZINC000187198454 351533674 /nfs/dbraw/zinc/53/36/74/351533674.db2.gz GYZPZVDAPWYMBZ-MRVPVSSYSA-N -1 3 276.333 0.731 20 10 CCCDHM O=C(NC[C@@H]1CC[C@@H](O)C1)c1cccc(O)c1[O-] ZINC000191214560 351750604 /nfs/dbraw/zinc/75/06/04/351750604.db2.gz RTRFGZCIGZJMRM-RKDXNWHRSA-N -1 3 251.282 0.989 20 10 CCCDHM COC(=O)[C@@H]1COCCN1Cc1cc2c(cc1[O-])OCO2 ZINC000271180898 353030038 /nfs/dbraw/zinc/03/00/38/353030038.db2.gz MBYVGZMJUMANDN-JTQLQIEISA-N -1 3 295.291 0.495 20 10 CCCDHM Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)c([O-])c1O ZINC000271238452 353032644 /nfs/dbraw/zinc/03/26/44/353032644.db2.gz DFFQXEVTUYVKHJ-UHFFFAOYSA-N -1 3 285.321 0.277 20 10 CCCDHM CNC(=O)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000272744654 353090699 /nfs/dbraw/zinc/09/06/99/353090699.db2.gz LZLOTFBTXMIJDR-GFCCVEGCSA-N -1 3 284.743 0.992 20 10 CCCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])[C@H]1CCNC1=O ZINC000282120374 353395257 /nfs/dbraw/zinc/39/52/57/353395257.db2.gz HNDIYUDMIBXDSI-JTQLQIEISA-N -1 3 278.308 0.757 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)NCCF ZINC000282873658 353459478 /nfs/dbraw/zinc/45/94/78/353459478.db2.gz UUWYNXMTRTZWIQ-SSDOTTSWSA-N -1 3 270.260 0.302 20 10 CCCDHM O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1cccc(O)c1[O-] ZINC000288014885 353681405 /nfs/dbraw/zinc/68/14/05/353681405.db2.gz CISVEDBOTPDKFM-VIFPVBQESA-N -1 3 299.348 0.652 20 10 CCCDHM CN(Cc1nncn1C)Cc1cc2c(cc1[O-])OCO2 ZINC000288646799 388864746 /nfs/dbraw/zinc/86/47/46/388864746.db2.gz QSDFOZUFLMXUHG-UHFFFAOYSA-N -1 3 276.296 0.881 20 10 CCCDHM Cc1ccc(C(=O)N[C@H]2C(=O)NCC[C@H]2C)c([O-])c1O ZINC000195164666 389117702 /nfs/dbraw/zinc/11/77/02/389117702.db2.gz BLXIVGGZSNIJNP-GMSGAONNSA-N -1 3 278.308 0.661 20 10 CCCDHM C[C@@H]1C(=O)NCCN1Cc1cc2c(cc1[O-])OCO2 ZINC000123517526 389156771 /nfs/dbraw/zinc/15/67/71/389156771.db2.gz UHOAJUIKZCXWEV-MRVPVSSYSA-N -1 3 264.281 0.441 20 10 CCCDHM Cc1ccc(C(=O)NCCN2CCOCC2)c([O-])c1O ZINC000177661371 389588393 /nfs/dbraw/zinc/58/83/93/389588393.db2.gz GZHIWWHXZSBPGA-UHFFFAOYSA-N -1 3 280.324 0.468 20 10 CCCDHM Cc1cc(Cl)cc(CN2CCN(CC(N)=O)CC2)c1[O-] ZINC000179638450 389661120 /nfs/dbraw/zinc/66/11/20/389661120.db2.gz MBYVEZZFSMMEJE-UHFFFAOYSA-N -1 3 297.786 0.957 20 10 CCCDHM COC(=O)C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000126504741 260352763 /nfs/dbraw/zinc/35/27/63/260352763.db2.gz CSMYRRNQIUSFHT-VIFPVBQESA-N -1 3 295.291 0.502 20 10 CCCDHM O=C(CCCNC(=O)c1cccc(O)c1[O-])NC1CC1 ZINC000126475914 260353595 /nfs/dbraw/zinc/35/35/95/260353595.db2.gz CYCFWKSIDIXPAU-UHFFFAOYSA-N -1 3 278.308 0.886 20 10 CCCDHM O=C(c1cccc(O)c1[O-])N1CCN2CCOC[C@H]2C1 ZINC000369123649 267222686 /nfs/dbraw/zinc/22/26/86/267222686.db2.gz AGDAUUHQUXKJHI-SNVBAGLBSA-N -1 3 278.308 0.254 20 10 CCCDHM O=C(CNCc1c([O-])cccc1Cl)N1CCOCC1 ZINC000272075566 334749379 /nfs/dbraw/zinc/74/93/79/334749379.db2.gz QEARSUFTQIPLEY-UHFFFAOYSA-N -1 3 284.743 0.994 20 10 CCCDHM COc1c([O-])c(CN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278294464 521875512 /nfs/dbraw/zinc/87/55/12/521875512.db2.gz VEIUKKFVNYHMKQ-VIFPVBQESA-N -1 3 268.269 0.876 20 10 CCCDHM COc1cc(Cl)cc(CN2C[C@@H](O)[C@@H](O)C2)c1[O-] ZINC000278457219 522538652 /nfs/dbraw/zinc/53/86/52/522538652.db2.gz ZEQBZMJXQNQKPM-AOOOYVTPSA-N -1 3 273.716 0.592 20 10 CCCDHM COC(OC)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126165095 522537487 /nfs/dbraw/zinc/53/74/87/522537487.db2.gz QCYIQWXNRNPWNM-ZETCQYMHSA-N -1 3 255.270 0.835 20 10 CCCDHM COC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000279079637 522867701 /nfs/dbraw/zinc/86/77/01/522867701.db2.gz DWYMJQYEJZDMPQ-SECBINFHSA-N -1 3 267.281 0.585 20 10 CCCDHM CS(=O)(=O)C1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000280680785 525100342 /nfs/dbraw/zinc/10/03/42/525100342.db2.gz DQEHZSRJAGFWSF-UHFFFAOYSA-N -1 3 299.348 0.795 20 10 CCCDHM CN(C)C(=O)NCCNC(=O)c1cc([O-])cs1 ZINC000780724205 581242462 /nfs/dbraw/zinc/24/24/62/581242462.db2.gz KAJXGZMVXDHRRK-UHFFFAOYSA-N -1 3 257.315 0.455 20 10 CCCDHM O=C(NCCc1nnc2n1CCC2)c1cc([O-])cs1 ZINC000779367612 581182539 /nfs/dbraw/zinc/18/25/39/581182539.db2.gz ACUNEQFBARQQBK-UHFFFAOYSA-N -1 3 278.337 0.964 20 10 CCCDHM O=C(N[C@@H](CCO)C1CC1)c1cccc(O)c1[O-] ZINC000790892753 581201566 /nfs/dbraw/zinc/20/15/66/581201566.db2.gz ZYVSMSVEOAVPSN-JTQLQIEISA-N -1 3 251.282 0.989 20 10 CCCDHM CCOCCOC[C@@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000792042231 581245478 /nfs/dbraw/zinc/24/54/78/581245478.db2.gz YRILLYLCFYSRBD-JTQLQIEISA-N -1 3 299.323 0.242 20 10 CCCDHM Cc1ccc(C(=O)NC[C@@H]2COCCO2)c([O-])c1O ZINC000780904983 581249062 /nfs/dbraw/zinc/24/90/62/581249062.db2.gz UMFYCDHUPKBZBS-SECBINFHSA-N -1 3 267.281 0.551 20 10 CCCDHM COC(=O)C1(O)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000770411469 581742364 /nfs/dbraw/zinc/74/23/64/581742364.db2.gz AUOJLYJHKKPQPF-UHFFFAOYSA-N -1 3 285.321 0.594 20 10 CCCDHM Cc1ccc(C(=O)NCC2(CO)CC2)c([O-])c1O ZINC000770503657 581748351 /nfs/dbraw/zinc/74/83/51/581748351.db2.gz CZKMNGMOQFJIEC-UHFFFAOYSA-N -1 3 251.282 0.909 20 10 CCCDHM NC(=O)CN1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732264110 581811219 /nfs/dbraw/zinc/81/12/19/581811219.db2.gz PGFVMIMYXDBLLO-UHFFFAOYSA-N -1 3 283.353 0.133 20 10 CCCDHM O=C(c1cc([O-])cs1)N1CCS(=O)(=O)CC1 ZINC000732283731 581816273 /nfs/dbraw/zinc/81/62/73/581816273.db2.gz CHHYVFDMFQHRTB-UHFFFAOYSA-N -1 3 261.324 0.324 20 10 CCCDHM COC(=O)[C@@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000732286738 581816943 /nfs/dbraw/zinc/81/69/43/581816943.db2.gz WFJFYWLNVBUFKD-QMMMGPOBSA-N -1 3 271.294 0.468 20 10 CCCDHM CC[C@@H]1C(=O)NCCN1C(=O)c1cc([O-])cs1 ZINC000732288548 581818211 /nfs/dbraw/zinc/81/82/11/581818211.db2.gz CCQAPURBMABZHV-MRVPVSSYSA-N -1 3 254.311 0.804 20 10 CCCDHM O=C(OCCN1C(=O)CNC1=O)c1cc([O-])cs1 ZINC000732353122 581820284 /nfs/dbraw/zinc/82/02/84/581820284.db2.gz DILJNQQZGRQLLM-UHFFFAOYSA-N -1 3 270.266 0.162 20 10 CCCDHM O=C(NC[C@H]1CCCS1(=O)=O)c1cc([O-])cs1 ZINC000768257315 582105300 /nfs/dbraw/zinc/10/53/00/582105300.db2.gz QJSNVZOEILPCFT-MRVPVSSYSA-N -1 3 275.351 0.761 20 10 CCCDHM CC[C@H]1C(=O)NCCN1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768448273 582106736 /nfs/dbraw/zinc/10/67/36/582106736.db2.gz BSWKSOQJLYTXIP-AAEUAGOBSA-N -1 3 292.335 0.528 20 10 CCCDHM CC(C)(O)[C@@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928710815 614211649 /nfs/dbraw/zinc/21/16/49/614211649.db2.gz KILOUWGJPOPMDY-JTQLQIEISA-N -1 3 257.261 0.279 20 10 CCCDHM CC(C)(C(N)=O)C(=O)NCc1c([O-])cccc1F ZINC000928707698 614311777 /nfs/dbraw/zinc/31/17/77/614311777.db2.gz GWHUFWSICWLVHD-UHFFFAOYSA-N -1 3 254.261 0.659 20 10 CCCDHM CCN(OC)C(=O)CNC(=O)NCc1c([O-])cccc1F ZINC000923038116 615072758 /nfs/dbraw/zinc/07/27/58/615072758.db2.gz QDCNYWDGALMGOY-UHFFFAOYSA-N -1 3 299.302 0.740 20 10 CCCDHM COC(=O)CC1(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000846392493 616506994 /nfs/dbraw/zinc/50/69/94/616506994.db2.gz GQMVWTASDUYIHA-UHFFFAOYSA-N -1 3 265.265 0.923 20 10 CCCDHM COC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(O)c1[O-] ZINC000846451458 616812567 /nfs/dbraw/zinc/81/25/67/616812567.db2.gz LKVXNUYEQHUKKA-RKDXNWHRSA-N -1 3 267.281 0.320 20 10 CCCDHM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000882369396 617113742 /nfs/dbraw/zinc/11/37/42/617113742.db2.gz OGZDSPRJHLCQKW-JQWIXIFHSA-N -1 3 281.308 0.974 20 10 CCCDHM O=C(N[C@H]1CCC[C@H]1CO)c1cccc(O)c1[O-] ZINC000229416630 631363399 /nfs/dbraw/zinc/36/33/99/631363399.db2.gz PNMHDXPKULFFDK-WPRPVWTQSA-N -1 3 251.282 0.989 20 10 CCCDHM [O-]c1c(F)cc(F)cc1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000895142258 631975545 /nfs/dbraw/zinc/97/55/45/631975545.db2.gz LYPQARQRXWATCO-GFCCVEGCSA-N -1 3 284.306 0.921 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)C1CS(=O)(=O)C1 ZINC000928705659 632544682 /nfs/dbraw/zinc/54/46/82/632544682.db2.gz KQVDSSNLSOXMOR-UHFFFAOYSA-N -1 3 273.285 0.192 20 10 CCCDHM C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000911800070 636392575 /nfs/dbraw/zinc/39/25/75/636392575.db2.gz NCYLHJOWXHCUSI-CIUDSAMLSA-N -1 3 278.308 0.835 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCNC1=O ZINC000923161368 640044871 /nfs/dbraw/zinc/04/48/71/640044871.db2.gz BBRWZSBKXUGOIM-SECBINFHSA-N -1 3 267.260 0.219 20 10 CCCDHM Cc1ccc(C(=O)Nc2cnn(CC(N)=O)c2)c([O-])c1O ZINC000780893212 640423636 /nfs/dbraw/zinc/42/36/36/640423636.db2.gz URUATICQXAWSJG-UHFFFAOYSA-N -1 3 290.279 0.340 20 10 CCCDHM COC(=O)Nc1ccc(C(=O)OCC(=O)C(C)=O)cc1[O-] ZINC000808524258 640866367 /nfs/dbraw/zinc/86/63/67/640866367.db2.gz NRJQJRWMYMGBTL-UHFFFAOYSA-N -1 3 295.247 0.885 20 10 CCCDHM Cc1cc([O-])c(CN2CCN(CC(N)=O)CC2)c(Cl)c1 ZINC000840909567 642797037 /nfs/dbraw/zinc/79/70/37/642797037.db2.gz IZMPZEFVSZKGTQ-UHFFFAOYSA-N -1 3 297.786 0.957 20 10 CCCDHM C[C@H]1CN(CCNC(=O)c2cccc(O)c2[O-])[C@@H](C)CO1 ZINC000855413014 644314262 /nfs/dbraw/zinc/31/42/62/644314262.db2.gz YXEPXXVPNLXWAU-QWRGUYRKSA-N -1 3 294.351 0.937 20 10 CCCDHM C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])CS1(=O)=O ZINC000855704578 644353940 /nfs/dbraw/zinc/35/39/40/644353940.db2.gz WYXPSQVMRFCHJB-BDAKNGLRSA-N -1 3 299.348 0.793 20 10 CCCDHM Cn1cc(CCNC(=O)c2cccc(O)c2[O-])cn1 ZINC000126490539 646806282 /nfs/dbraw/zinc/80/62/82/646806282.db2.gz MWGLKHZWBOYQTF-UHFFFAOYSA-N -1 3 261.281 0.804 20 10 CCCDHM [O-]c1c(CN2CCC(CO)(CO)C2)ccc(F)c1F ZINC000877632982 646830804 /nfs/dbraw/zinc/83/08/04/646830804.db2.gz UPYXUQRSSMCSGP-UHFFFAOYSA-N -1 3 273.279 0.847 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)C1(CO)CCOCC1 ZINC000928705991 648657981 /nfs/dbraw/zinc/65/79/81/648657981.db2.gz NFTIJZJPTWRAGK-UHFFFAOYSA-N -1 3 283.299 0.937 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1COC(=O)N1 ZINC000928707203 648658979 /nfs/dbraw/zinc/65/89/79/648658979.db2.gz BZYXSQHEMHUBDU-QMMMGPOBSA-N -1 3 254.217 0.256 20 10 CCCDHM CS(=O)(=O)C1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928708210 648659431 /nfs/dbraw/zinc/65/94/31/648659431.db2.gz JBSATYLBOTVTDT-UHFFFAOYSA-N -1 3 287.312 0.725 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000928710265 648659616 /nfs/dbraw/zinc/65/96/16/648659616.db2.gz RZWIIHDVLZNGLR-MRVPVSSYSA-N -1 3 287.312 0.582 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CSC(=O)N1 ZINC000928712315 648659684 /nfs/dbraw/zinc/65/96/84/648659684.db2.gz QWNZPOAEASVILH-MRVPVSSYSA-N -1 3 270.285 0.973 20 10 CCCDHM NC(=O)[C@@H]1CCC2(CN(Cc3cc(F)ccc3[O-])C2)O1 ZINC001278255232 806792731 /nfs/dbraw/zinc/79/27/31/806792731.db2.gz PNNYPBRGRWIANB-LBPRGKRZSA-N -1 3 280.299 0.750 20 10 CCCDHM NC(=O)[C@@H]1CC12CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001269560577 813420739 /nfs/dbraw/zinc/42/07/39/813420739.db2.gz VSCRRKTWQKCCIP-QMMMGPOBSA-N -1 3 262.265 0.045 20 10 CCCDHM COC(C)(CNC(=O)c1cccc(O)c1[O-])OC ZINC001148224845 840766381 /nfs/dbraw/zinc/76/63/81/840766381.db2.gz WVPLXLWYMUJPJE-UHFFFAOYSA-N -1 3 255.270 0.837 20 10 CCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCOCC(F)(F)C1 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CC(C)N1CC(NC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148590103 840857495 /nfs/dbraw/zinc/85/74/95/840857495.db2.gz XESJSCSSWGQCPC-UHFFFAOYSA-N -1 3 266.297 0.626 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ncn(C)n1 ZINC000392166313 854084030 /nfs/dbraw/zinc/08/40/30/854084030.db2.gz WEGQICXZHQNBGX-ZETCQYMHSA-N -1 3 262.269 0.717 20 10 CCCDHM CNC(=O)N[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001296169800 906871033 /nfs/dbraw/zinc/87/10/33/906871033.db2.gz KSJDITZMHVKJKW-MRVPVSSYSA-N -1 3 279.296 0.241 20 10 CCCDHM COC[C@](C)(NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC001446052255 930318191 /nfs/dbraw/zinc/31/81/91/930318191.db2.gz SCVVDQNNHNYHHG-ZDUSSCGKSA-N -1 3 283.280 0.406 20 10 CCCDHM COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)C(=O)[O-] ZINC001611066642 970875157 /nfs/dbraw/zinc/87/51/57/970875157.db2.gz LFITVGFKWJPXKT-GFCCVEGCSA-N -1 3 255.270 0.326 20 10 CCCDHM Cc1ccc(C(=O)N[C@]2(CO)CCOC2)c([O-])c1O ZINC000273598726 353112526 /nfs/dbraw/zinc/11/25/26/353112526.db2.gz RMFGMWCMEDGRSX-ZDUSSCGKSA-N -1 3 267.281 0.287 20 10 CCCDHM CCNC(=O)NCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000294143150 388991091 /nfs/dbraw/zinc/99/10/91/388991091.db2.gz UHRPXMAQQREOSQ-UHFFFAOYSA-N -1 3 281.312 0.455 20 10 CCCDHM CCNC(=O)NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109770321 389100260 /nfs/dbraw/zinc/10/02/60/389100260.db2.gz MAZGQIXLGGVDBT-UHFFFAOYSA-N -1 3 265.313 0.670 20 10 CCCDHM Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2C)c([O-])c1O ZINC000179474807 389657095 /nfs/dbraw/zinc/65/70/95/389657095.db2.gz QYJSVMITBPFORE-QMMMGPOBSA-N -1 3 264.281 0.367 20 10 CCCDHM O=S1(=O)CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180067555 264391115 /nfs/dbraw/zinc/39/11/15/264391115.db2.gz ZOUASJINCQHBPG-UHFFFAOYSA-N -1 3 259.302 0.762 20 10 CCCDHM C[C@H]1[C@@H](NC(=O)c2cccc(O)c2[O-])CCS1(=O)=O ZINC000293818199 327152366 /nfs/dbraw/zinc/15/23/66/327152366.db2.gz RFWUOOBZIRTECO-CBAPKCEASA-N -1 3 285.321 0.403 20 10 CCCDHM Cc1ccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c([O-])c1O ZINC000378561619 329054895 /nfs/dbraw/zinc/05/48/95/329054895.db2.gz IMZUDUJAJUDOKM-VIFPVBQESA-N -1 3 292.291 0.683 20 10 CCCDHM COC[C@H](O)CCNC(=O)c1cccc(O)c1[O-] ZINC000229416968 329353277 /nfs/dbraw/zinc/35/32/77/329353277.db2.gz GQFZYIHCHPPGKO-MRVPVSSYSA-N -1 3 255.270 0.225 20 10 CCCDHM CC1(CNC(=O)c2cccc(O)c2[O-])OCCCO1 ZINC000276873475 520729989 /nfs/dbraw/zinc/72/99/89/520729989.db2.gz HQEKAQLRVRLMGK-UHFFFAOYSA-N -1 3 267.281 0.981 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)N(C)C ZINC000126298006 525230338 /nfs/dbraw/zinc/23/03/38/525230338.db2.gz YHRFVTMSEQDKFY-ZETCQYMHSA-N -1 3 252.270 0.304 20 10 CCCDHM Cn1cc(NC(=O)c2cccc(O)c2[O-])cc1C(N)=O ZINC000790523893 581189456 /nfs/dbraw/zinc/18/94/56/581189456.db2.gz AYQYCSUSDYIAQG-UHFFFAOYSA-N -1 3 275.264 0.788 20 10 CCCDHM O=C(NCCNc1ncccn1)c1cccc(O)c1[O-] ZINC000790580657 581191018 /nfs/dbraw/zinc/19/10/18/581191018.db2.gz SHNHVTWFSMUVAN-UHFFFAOYSA-N -1 3 274.280 0.730 20 10 CCCDHM O=C(NCCOC[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000790681680 581193892 /nfs/dbraw/zinc/19/38/92/581193892.db2.gz YNUUBPQWZGJPMB-SNVBAGLBSA-N -1 3 281.308 0.881 20 10 CCCDHM O=C(NCCS(=O)(=O)CC1CC1)c1cccc(O)c1[O-] ZINC000790890894 581201641 /nfs/dbraw/zinc/20/16/41/581201641.db2.gz KOCDCUKGKNRYTH-UHFFFAOYSA-N -1 3 299.348 0.652 20 10 CCCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CN(C)CCO1 ZINC000790898455 581201909 /nfs/dbraw/zinc/20/19/09/581201909.db2.gz XBEAVWDIDBPUSA-JOYOIKCWSA-N -1 3 280.324 0.547 20 10 CCCDHM O=C(N[C@@H](CO)C1CCOCC1)c1cccc(O)c1[O-] ZINC000790926330 581202419 /nfs/dbraw/zinc/20/24/19/581202419.db2.gz LYNUTYAFHPDJET-NSHDSACASA-N -1 3 281.308 0.615 20 10 CCCDHM C[C@H]1OCC[C@@]1(O)CNC(=O)c1cc([O-])cs1 ZINC000791044747 581205329 /nfs/dbraw/zinc/20/53/29/581205329.db2.gz NLYCQKLZGPEYLS-RDDDGLTNSA-N -1 3 257.311 0.723 20 10 CCCDHM Cc1ccc(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)c([O-])c1O ZINC000780982861 581254058 /nfs/dbraw/zinc/25/40/58/581254058.db2.gz CFLZGQZCEHSZDN-ZYHUDNBSSA-N -1 3 294.351 0.855 20 10 CCCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCNC2=O)c([O-])c1O ZINC000780999990 581255662 /nfs/dbraw/zinc/25/56/62/581255662.db2.gz SHTUDGCDKKUYFL-SECBINFHSA-N -1 3 264.281 0.367 20 10 CCCDHM O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1cc([O-])cs1 ZINC000796452944 581441049 /nfs/dbraw/zinc/44/10/49/581441049.db2.gz YQGSADXPCDSYPH-BDAKNGLRSA-N -1 3 271.338 0.829 20 10 CCCDHM COc1cccc([O-])c1CN1CCO[C@@H](CNC(C)=O)C1 ZINC000769447070 581689267 /nfs/dbraw/zinc/68/92/67/581689267.db2.gz RETSYXOACVRABJ-LBPRGKRZSA-N -1 3 294.351 0.738 20 10 CCCDHM Cc1ccc(C(=O)N2CCCN(C(N)=O)CC2)c([O-])c1O ZINC000770486207 581747301 /nfs/dbraw/zinc/74/73/01/581747301.db2.gz NWEOMMVYWGGECP-UHFFFAOYSA-N -1 3 293.323 0.633 20 10 CCCDHM NC(=O)[C@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000732264727 581811289 /nfs/dbraw/zinc/81/12/89/581811289.db2.gz VURACXLBPJUANO-MRVPVSSYSA-N -1 3 254.311 0.934 20 10 CCCDHM COC(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732274967 581814315 /nfs/dbraw/zinc/81/43/15/581814315.db2.gz OZBKBPDQWYAJEU-UHFFFAOYSA-N -1 3 270.310 0.978 20 10 CCCDHM CNC(=O)[C@H](C)CN(C)C(=O)c1cc([O-])cs1 ZINC000747943843 581957339 /nfs/dbraw/zinc/95/73/39/581957339.db2.gz KXPVDZMKMHJJAK-SSDOTTSWSA-N -1 3 256.327 0.908 20 10 CCCDHM CCOC(=O)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126323102 615187513 /nfs/dbraw/zinc/18/75/13/615187513.db2.gz XLAFOJMWQORZIT-UHFFFAOYSA-N -1 3 253.254 0.733 20 10 CCCDHM CCOC(=O)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126309195 615343518 /nfs/dbraw/zinc/34/35/18/615343518.db2.gz NAHZRWCNZCHNEF-ZETCQYMHSA-N -1 3 253.254 0.779 20 10 CCCDHM CCO[C@@H]1COC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000837092045 615428830 /nfs/dbraw/zinc/42/88/30/615428830.db2.gz JTHWNIKCTFKYEC-MWLCHTKSSA-N -1 3 267.281 0.632 20 10 CCCDHM COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)O1 ZINC000862866430 616382677 /nfs/dbraw/zinc/38/26/77/616382677.db2.gz KBQRZBYSLMUCOT-KCJUWKMLSA-N -1 3 295.291 0.500 20 10 CCCDHM COCCn1cc(C(=O)NCc2c([O-])cccc2F)nn1 ZINC000928705329 616721969 /nfs/dbraw/zinc/72/19/69/616721969.db2.gz GTZSGQLBRDDZHL-UHFFFAOYSA-N -1 3 294.286 0.699 20 10 CCCDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)C2)c1[O-] ZINC000050132431 624795278 /nfs/dbraw/zinc/79/52/78/624795278.db2.gz JGAFPKANAQNGNM-UHFFFAOYSA-N -1 3 266.272 0.666 20 10 CCCDHM O=C(CN1CCC(=O)NC1=O)NCc1c([O-])cccc1F ZINC000928706131 632547614 /nfs/dbraw/zinc/54/76/14/632547614.db2.gz RKODAQBYRNCLKY-UHFFFAOYSA-N -1 3 295.270 0.089 20 10 CCCDHM Cn1cnnc1CCCNC(=O)c1cccc(O)c1[O-] ZINC000312577295 637383389 /nfs/dbraw/zinc/38/33/89/637383389.db2.gz VPGZZJJLGCKATG-UHFFFAOYSA-N -1 3 276.296 0.589 20 10 CCCDHM O=S(=O)(NCc1c([O-])cccc1F)N1CCCC1 ZINC000921452137 638185218 /nfs/dbraw/zinc/18/52/18/638185218.db2.gz FLDRTWSHQJVZQM-UHFFFAOYSA-N -1 3 274.317 0.962 20 10 CCCDHM C[C@H]1NC(=O)CC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922350558 639663609 /nfs/dbraw/zinc/66/36/09/639663609.db2.gz IFRWFKWBNIVYPT-KCJUWKMLSA-N -1 3 295.314 0.998 20 10 CCCDHM O=C(NCCC1(O)CCOCC1)c1cccc(O)c1[O-] ZINC000804330621 640764072 /nfs/dbraw/zinc/76/40/72/640764072.db2.gz ALMCCYJNCGMHAL-UHFFFAOYSA-N -1 3 281.308 0.759 20 10 CCCDHM NC(=O)N1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000807813055 640836504 /nfs/dbraw/zinc/83/65/04/640836504.db2.gz CGZCAWHUBTWSEO-SECBINFHSA-N -1 3 293.323 0.618 20 10 CCCDHM O=C(NC[C@@H]1CCC(=O)N1)c1cccc(O)c1[O-] ZINC000126437648 646766710 /nfs/dbraw/zinc/76/67/10/646766710.db2.gz GOMWTKRODDYSHB-ZETCQYMHSA-N -1 3 250.254 0.106 20 10 CCCDHM O=c1[nH]nc2n1CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC000877351404 646801469 /nfs/dbraw/zinc/80/14/69/646801469.db2.gz WXWFBBKQNGBNRY-UHFFFAOYSA-N -1 3 282.250 0.983 20 10 CCCDHM [O-]c1c(CN2C[C@H](O)C[C@H]2CO)ccc(F)c1F ZINC000877417782 646812917 /nfs/dbraw/zinc/81/29/17/646812917.db2.gz YEVCFETWIDZLKD-DTWKUNHWSA-N -1 3 259.252 0.598 20 10 CCCDHM C[C@H](N[C@@H]1CNOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925861353 648467428 /nfs/dbraw/zinc/46/74/28/648467428.db2.gz BSHPVTTWIMAHNB-JGVFFNPUSA-N -1 3 253.258 0.854 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@]1(O)CCOC1 ZINC000928705718 648658461 /nfs/dbraw/zinc/65/84/61/648658461.db2.gz LLXSNYHNVIFSNU-LBPRGKRZSA-N -1 3 255.245 0.299 20 10 CCCDHM C[C@]1(C(=O)NCc2c([O-])cccc2F)CCNC1=O ZINC000928711716 648659292 /nfs/dbraw/zinc/65/92/92/648659292.db2.gz OJPWEFQVFAVFHU-ZDUSSCGKSA-N -1 3 266.272 0.674 20 10 CCCDHM O=C([O-])c1ccc(O)c(CN2CCOC[C@@H](O)C2)c1 ZINC001231561672 805817416 /nfs/dbraw/zinc/81/74/16/805817416.db2.gz YCBZNOIHDFLPFT-NSHDSACASA-N -1 3 267.281 0.284 20 10 CCCDHM COc1cc([O-])c(CN2CCNC(=O)C2)cc1Cl ZINC001232264998 805916115 /nfs/dbraw/zinc/91/61/15/805916115.db2.gz MXPGVZNIONUZLT-UHFFFAOYSA-N -1 3 270.716 0.986 20 10 CCCDHM NC(=O)CN1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262425 805916739 /nfs/dbraw/zinc/91/67/39/805916739.db2.gz GWWQTRDKXSTUPU-UHFFFAOYSA-N -1 3 299.758 0.354 20 10 CCCDHM CN[C@@H](C(=O)NCc1c([O-])cccc1F)c1cnn(C)c1 ZINC001122172512 799160505 /nfs/dbraw/zinc/16/05/05/799160505.db2.gz CNXRKYDXRYASMC-CYBMUJFWSA-N -1 3 292.314 0.842 20 10 CCCDHM [O-]c1cc(Cl)c(F)cc1CN1C[C@H](CO)[C@H](O)C1 ZINC001237934725 806736284 /nfs/dbraw/zinc/73/62/84/806736284.db2.gz NJOKMOVUMGAEMZ-PRHODGIISA-N -1 3 275.707 0.970 20 10 CCCDHM COC(=O)[C@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC001140056214 799877488 /nfs/dbraw/zinc/87/74/88/799877488.db2.gz MMZBJYCWXWWYTK-LLVKDONJSA-N -1 3 282.271 0.005 20 10 CCCDHM C[C@@H](O)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC001161587444 802186488 /nfs/dbraw/zinc/18/64/88/802186488.db2.gz PQWHMBGXGJAKTI-LDYMZIIASA-N -1 3 267.281 0.320 20 10 CCCDHM C[C@]1(NCc2cc([N+](=O)[O-])ccc2[O-])CCNC1=O ZINC001203829291 803047054 /nfs/dbraw/zinc/04/70/54/803047054.db2.gz BOFBRDYOCODJOC-LBPRGKRZSA-N -1 3 265.269 0.669 20 10 CCCDHM CN1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc(O)c1[O-] ZINC001269607725 813444886 /nfs/dbraw/zinc/44/48/86/813444886.db2.gz HWAASBUGDCQDQQ-AOOOYVTPSA-N -1 3 278.308 0.253 20 10 CCCDHM NC(=O)c1[nH]nc2c1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001269559364 813420599 /nfs/dbraw/zinc/42/05/99/813420599.db2.gz AXTPMECSJWERKM-UHFFFAOYSA-N -1 3 288.263 0.076 20 10 CCCDHM COC(=O)CN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837708 819514391 /nfs/dbraw/zinc/51/43/91/819514391.db2.gz RIRMAEAHSFRTTQ-UHFFFAOYSA-N -1 3 282.315 0.822 20 10 CCCDHM CON(C)C(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000708483622 819761727 /nfs/dbraw/zinc/76/17/27/819761727.db2.gz FBCHRSGSYKQIRW-UHFFFAOYSA-N -1 3 260.240 0.780 20 10 CCCDHM CC(=O)N1CCC[C@H](NCC(=O)c2ccc([O-])c(O)c2)C1 ZINC001169584328 836380963 /nfs/dbraw/zinc/38/09/63/836380963.db2.gz IWAKTUNNWATQKQ-LBPRGKRZSA-N -1 3 292.335 0.881 20 10 CCCDHM C[C@@]1(CO)CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1O ZINC001148212188 840761314 /nfs/dbraw/zinc/76/13/14/840761314.db2.gz QEAIVYIJSMDGAH-RISCZKNCSA-N -1 3 281.308 0.303 20 10 CCCDHM O=C(NCCN1CCCCO1)c1cccc(O)c1[O-] ZINC001148220099 840766073 /nfs/dbraw/zinc/76/60/73/840766073.db2.gz QMHPNJSWBRTWFI-UHFFFAOYSA-N -1 3 266.297 0.855 20 10 CCCDHM Cc1oncc1S(=O)(=O)[N-]Cc1ccc(O)c(O)c1 ZINC001187401848 844718420 /nfs/dbraw/zinc/71/84/20/844718420.db2.gz YKCHOUISGHFQSB-UHFFFAOYSA-N -1 3 284.293 0.873 20 10 CCCDHM CNC(=O)C1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148581165 840851067 /nfs/dbraw/zinc/85/10/67/840851067.db2.gz NDKQKDGBNOSLRC-UHFFFAOYSA-N -1 3 294.307 0.402 20 10 CCCDHM CC(C)OC(=O)[C@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586899 840851883 /nfs/dbraw/zinc/85/18/83/840851883.db2.gz YVGDTRSSLNDNFG-ZETCQYMHSA-N -1 3 283.280 0.873 20 10 CCCDHM CN1CC2(C1)CN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001148587658 840852480 /nfs/dbraw/zinc/85/24/80/840852480.db2.gz KJEXZZFKQPDKGQ-UHFFFAOYSA-N -1 3 264.281 0.191 20 10 CCCDHM CC(C)[C@](C)(NC(=O)c1cc(O)c([O-])c(O)c1)C(N)=O ZINC001148590184 840855016 /nfs/dbraw/zinc/85/50/16/840855016.db2.gz YGLATXNVVIJCTI-ZDUSSCGKSA-N -1 3 282.296 0.433 20 10 CCCDHM O=C(N[C@H](CO)C(F)(F)F)c1cc(O)c([O-])c(O)c1 ZINC001148589865 840855941 /nfs/dbraw/zinc/85/59/41/840855941.db2.gz OCYADGWMRGRZML-SSDOTTSWSA-N -1 3 281.186 0.456 20 10 CCCDHM CN(CCCF)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC001333163616 918698352 /nfs/dbraw/zinc/69/83/52/918698352.db2.gz SOGPHBKFBSMRSQ-UHFFFAOYSA-N -1 3 282.275 0.925 20 10 CCCDHM COC(=O)C1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC001336255803 920690245 /nfs/dbraw/zinc/69/02/45/920690245.db2.gz OXUNPUJNBQOXRE-UHFFFAOYSA-N -1 3 251.238 0.343 20 10 CCCDHM C[C@H](N)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001599892513 984712392 /nfs/dbraw/zinc/71/23/92/984712392.db2.gz SNPMGJSMNCFKFK-ZETCQYMHSA-N -1 3 286.715 0.806 20 10 CCCDHM C[C@H](NC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001599899125 984791524 /nfs/dbraw/zinc/79/15/24/984791524.db2.gz RJONGWMNRBVQEY-YUMQZZPRSA-N -1 3 284.287 0.599 20 10 CCCDHM CN1CC[N@H+](Cc2ccccc2[O-])C[C@@H](C(=O)[O-])C1 ZINC001598620009 993986756 /nfs/dbraw/zinc/98/67/56/993986756.db2.gz UIBNWMXTIYNSJM-LBPRGKRZSA-N -1 3 264.325 0.840 20 10 CCCDHM CN1CC[N@@H+](Cc2ccccc2[O-])C[C@@H](C(=O)[O-])C1 ZINC001598620009 993986761 /nfs/dbraw/zinc/98/67/61/993986761.db2.gz UIBNWMXTIYNSJM-LBPRGKRZSA-N -1 3 264.325 0.840 20 10 CCCDHM C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCC(=O)[O-] ZINC001593198300 994169861 /nfs/dbraw/zinc/16/98/61/994169861.db2.gz PXLYZIFHSUBISG-WDEREUQCSA-N -1 3 293.367 0.993 20 10 CCCDHM C[C@H](CN1CCCC1=O)NC(=O)c1cccc(O)c1[O-] ZINC000192988061 351806226 /nfs/dbraw/zinc/80/62/26/351806226.db2.gz YZVQEBLXRJLWHA-SECBINFHSA-N -1 3 278.308 0.839 20 10 CCCDHM CCN(C)C(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000193168991 351814544 /nfs/dbraw/zinc/81/45/44/351814544.db2.gz XKXYZRODEHFXJC-UHFFFAOYSA-N -1 3 252.270 0.306 20 10 CCCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@H](C(N)=O)O1 ZINC000272381520 353058013 /nfs/dbraw/zinc/05/80/13/353058013.db2.gz HUUBLTWXQLJDGV-KCJUWKMLSA-N -1 3 268.288 0.606 20 10 CCCDHM CC(C)(C(N)=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000272340895 353054190 /nfs/dbraw/zinc/05/41/90/353054190.db2.gz YQCFGXQUTARIBK-UHFFFAOYSA-N -1 3 295.358 0.913 20 10 CCCDHM [O-]c1c(F)cccc1CN1CCN(CCO)CC1 ZINC000272343606 353054783 /nfs/dbraw/zinc/05/47/83/353054783.db2.gz ZCEAHYGZMNRWDK-UHFFFAOYSA-N -1 3 254.305 0.641 20 10 CCCDHM Cc1ccc(C(=O)NCCCOCCO)c([O-])c1O ZINC000272897605 353104001 /nfs/dbraw/zinc/10/40/01/353104001.db2.gz BOJNDZOAAUNXJA-UHFFFAOYSA-N -1 3 269.297 0.535 20 10 CCCDHM COC[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000272895254 353104074 /nfs/dbraw/zinc/10/40/74/353104074.db2.gz IFZIVMYPGMNFTI-VIFPVBQESA-N -1 3 269.297 0.797 20 10 CCCDHM CCN1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1=O ZINC000273542918 353112248 /nfs/dbraw/zinc/11/22/48/353112248.db2.gz YRQGXPBYNPGYBO-UHFFFAOYSA-N -1 3 278.308 0.711 20 10 CCCDHM CCN(CCOCCO)C(=O)c1cccc(O)c1[O-] ZINC000282413388 388753444 /nfs/dbraw/zinc/75/34/44/388753444.db2.gz IDSVBCVTBLYXMR-UHFFFAOYSA-N -1 3 269.297 0.569 20 10 CCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCF)c1 ZINC000281800769 389625191 /nfs/dbraw/zinc/62/51/91/389625191.db2.gz NVRZUTIRFORKKX-UHFFFAOYSA-N -1 3 276.289 0.463 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nncn1C ZINC000126375079 260350233 /nfs/dbraw/zinc/35/02/33/260350233.db2.gz KPHSIYHDFUWTHS-SSDOTTSWSA-N -1 3 262.269 0.717 20 10 CCCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@]2(CO)CCOC2)c1 ZINC000184194618 262012050 /nfs/dbraw/zinc/01/20/50/262012050.db2.gz VVGSJVQWILPIHB-LBPRGKRZSA-N -1 3 268.269 0.541 20 10 CCCDHM O=C(NOC[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000276484710 263037035 /nfs/dbraw/zinc/03/70/35/263037035.db2.gz RKGSIBXVYPALIT-MRVPVSSYSA-N -1 3 253.254 0.796 20 10 CCCDHM CCn1ncc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000529581711 333499480 /nfs/dbraw/zinc/49/94/80/333499480.db2.gz JDKLYBVAGCTUHZ-UHFFFAOYSA-N -1 3 262.269 0.639 20 10 CCCDHM CCOC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000126367619 520687682 /nfs/dbraw/zinc/68/76/82/520687682.db2.gz ZJWMEIGVYXFEBE-UHFFFAOYSA-N -1 3 253.254 0.781 20 10 CCCDHM COCC[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000291300638 521887029 /nfs/dbraw/zinc/88/70/29/521887029.db2.gz WQFWKCFSMCWHCU-SNVBAGLBSA-N -1 3 281.308 0.975 20 10 CCCDHM CO[C@H]1COC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000290998194 524010294 /nfs/dbraw/zinc/01/02/94/524010294.db2.gz AMXVBJJXCGTYPB-WPRPVWTQSA-N -1 3 253.254 0.241 20 10 CCCDHM C[C@H]1C(=O)NCCCN1C(=O)c1cccc(O)c1[O-] ZINC000365043707 526202103 /nfs/dbraw/zinc/20/21/03/526202103.db2.gz VCYJLIDCERYLBR-QMMMGPOBSA-N -1 3 264.281 0.448 20 10 CCCDHM O=C(N[C@H]1CCC(=O)NC1)c1cccc(O)c1[O-] ZINC000126415589 527018777 /nfs/dbraw/zinc/01/87/77/527018777.db2.gz PNGWTUVVAQUJNQ-ZETCQYMHSA-N -1 3 250.254 0.106 20 10 CCCDHM O=C(NCC1(N2CCOCC2)CC1)c1cccc(O)c1[O-] ZINC000277402132 527572156 /nfs/dbraw/zinc/57/21/56/527572156.db2.gz FMGRXNCDORIXSG-UHFFFAOYSA-N -1 3 292.335 0.692 20 10 CCCDHM CCOC(=O)[C@@H](CO)NC(=O)c1cc([O-])cs1 ZINC000789909112 581161793 /nfs/dbraw/zinc/16/17/93/581161793.db2.gz FOHXSHRNLCVBJS-SSDOTTSWSA-N -1 3 259.283 0.108 20 10 CCCDHM COC(=O)C(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000778314474 581151028 /nfs/dbraw/zinc/15/10/28/581151028.db2.gz HWVNPIRQLLPZEW-YFKPBYRVSA-N -1 3 258.251 0.741 20 10 CCCDHM CCOC(=O)[C@H](CO)NC(=O)c1cc([O-])cs1 ZINC000789909113 581161704 /nfs/dbraw/zinc/16/17/04/581161704.db2.gz FOHXSHRNLCVBJS-ZETCQYMHSA-N -1 3 259.283 0.108 20 10 CCCDHM CCc1nncn1CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000780947994 581251495 /nfs/dbraw/zinc/25/14/95/581251495.db2.gz AYRASWPRWPJIIR-UHFFFAOYSA-N -1 3 290.323 0.990 20 10 CCCDHM Cc1ccc(C(=O)NCc2nnnn2C2CC2)c([O-])c1O ZINC000780953240 581251973 /nfs/dbraw/zinc/25/19/73/581251973.db2.gz UHEMJTSNUUBYST-UHFFFAOYSA-N -1 3 289.295 0.658 20 10 CCCDHM CCn1ncnc1CNC(=O)c1cc([O-])cs1 ZINC000795965864 581428590 /nfs/dbraw/zinc/42/85/90/581428590.db2.gz XZYFRIXAKXCBPK-UHFFFAOYSA-N -1 3 252.299 0.995 20 10 CCCDHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000740926313 581723624 /nfs/dbraw/zinc/72/36/24/581723624.db2.gz JLCKXJVNOKVAIB-ZETCQYMHSA-N -1 3 290.366 0.347 20 10 CCCDHM [O-]c1cc2c(cc1CN1CCn3ncnc3C1)OCO2 ZINC000770663485 581760171 /nfs/dbraw/zinc/76/01/71/581760171.db2.gz GSSBYKOBPCAOOQ-UHFFFAOYSA-N -1 3 274.280 0.728 20 10 CCCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC(=O)NC1CC1 ZINC000731911154 581789715 /nfs/dbraw/zinc/78/97/15/581789715.db2.gz ZYMYRQBDVNEBIP-ZCFIWIBFSA-N -1 3 298.320 0.987 20 10 CCCDHM O=C(NC[C@@H](O)C1CCOCC1)c1cc([O-])cs1 ZINC000736723862 581825367 /nfs/dbraw/zinc/82/53/67/581825367.db2.gz BEVNAMUCGWPABN-SNVBAGLBSA-N -1 3 271.338 0.971 20 10 CCCDHM CN(CCN1CCCS1(=O)=O)Cc1ccccc1[O-] ZINC000749296122 582002435 /nfs/dbraw/zinc/00/24/35/582002435.db2.gz FJJSVPOYWLSGOJ-UHFFFAOYSA-N -1 3 284.381 0.860 20 10 CCCDHM CN(C(=O)c1cc([O-])cs1)[C@H]1CCN(C)C1=O ZINC000738547926 582060931 /nfs/dbraw/zinc/06/09/31/582060931.db2.gz HBMAPMLBNPBPFG-QMMMGPOBSA-N -1 3 254.311 0.756 20 10 CCCDHM O=C(NCc1ccccc1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826443278 607754890 /nfs/dbraw/zinc/75/48/90/607754890.db2.gz IYJNUSQZPOUKEA-UHFFFAOYSA-N -1 3 284.279 0.830 20 10 CCCDHM O=C(NCc1ccccc1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826443278 607754891 /nfs/dbraw/zinc/75/48/91/607754891.db2.gz IYJNUSQZPOUKEA-UHFFFAOYSA-N -1 3 284.279 0.830 20 10 CCCDHM CC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000857411657 613470626 /nfs/dbraw/zinc/47/06/26/613470626.db2.gz OODBUJPCYZMPOX-SECBINFHSA-N -1 3 264.281 0.448 20 10 CCCDHM COC(=O)C1(O)CN(Cc2c([O-])cccc2Cl)C1 ZINC000877768984 616384643 /nfs/dbraw/zinc/38/46/43/616384643.db2.gz NTIPGHZRXMQTJQ-UHFFFAOYSA-N -1 3 271.700 0.765 20 10 CCCDHM COC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000883519734 616549585 /nfs/dbraw/zinc/54/95/85/616549585.db2.gz AHQGSSFRWPDDBT-UHFFFAOYSA-N -1 3 285.271 0.981 20 10 CCCDHM COC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000883519734 616549587 /nfs/dbraw/zinc/54/95/87/616549587.db2.gz AHQGSSFRWPDDBT-UHFFFAOYSA-N -1 3 285.271 0.981 20 10 CCCDHM COC(=O)[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC000126487759 616685724 /nfs/dbraw/zinc/68/57/24/616685724.db2.gz FNFBDNOFRUTUPC-WPRPVWTQSA-N -1 3 279.292 0.979 20 10 CCCDHM COC(=O)[C@](C)(CO)NCc1cc(F)ccc1[O-] ZINC000894974858 616747808 /nfs/dbraw/zinc/74/78/08/616747808.db2.gz HYXOKLTYMFIHSP-LBPRGKRZSA-N -1 3 257.261 0.545 20 10 CCCDHM CNC(=O)c1c(C)[nH]nc1NC(=O)c1cccc(O)c1[O-] ZINC000799104346 616895954 /nfs/dbraw/zinc/89/59/54/616895954.db2.gz SWNHRIRRTYSACW-UHFFFAOYSA-N -1 3 290.279 0.741 20 10 CCCDHM COC(=O)[C@@H](CF)NC(=O)c1cccc(O)c1[O-] ZINC000807843538 616962934 /nfs/dbraw/zinc/96/29/34/616962934.db2.gz VQAXAXPKWWBXQL-SSDOTTSWSA-N -1 3 257.217 0.339 20 10 CCCDHM CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048924463 631863874 /nfs/dbraw/zinc/86/38/74/631863874.db2.gz DIRLROOJZWIEKP-UHFFFAOYSA-N -1 3 258.299 0.513 20 10 CCCDHM C[C@@H]1OCCO[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000830179843 642238909 /nfs/dbraw/zinc/23/89/09/642238909.db2.gz CVKIYQQGHGEROR-UFBFGSQYSA-N -1 3 269.272 0.951 20 10 CCCDHM O=C1NCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000850343589 643797577 /nfs/dbraw/zinc/79/75/77/643797577.db2.gz PLYGRKPBNKQFJX-VIFPVBQESA-N -1 3 251.242 0.279 20 10 CCCDHM O=[N+]([O-])c1cc(Cl)cc(CN(CCO)CCO)c1[O-] ZINC000862429155 644999208 /nfs/dbraw/zinc/99/92/08/644999208.db2.gz BYUUNLRTAAKWQX-UHFFFAOYSA-N -1 3 290.703 0.740 20 10 CCCDHM CS(=O)(=O)NC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000862485972 645003124 /nfs/dbraw/zinc/00/31/24/645003124.db2.gz RWDQYMQOMFGWKT-UHFFFAOYSA-N -1 3 290.772 0.779 20 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O=C(c1cccc(O)c1[O-])N1CC[C@](F)(CO)C1 ZINC000802334465 640696783 /nfs/dbraw/zinc/69/67/83/640696783.db2.gz WVXHPWSRBSGJBX-GFCCVEGCSA-N -1 3 255.245 0.644 20 10 CCCDHM O=C1CN(Cc2c([O-])ccc3ccncc32)CCN1 ZINC000834914892 642642511 /nfs/dbraw/zinc/64/25/11/642642511.db2.gz IRAXZXRMGBZYPG-UHFFFAOYSA-N -1 3 257.293 0.872 20 10 CCCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)N(C)C ZINC000126298223 646717025 /nfs/dbraw/zinc/71/70/25/646717025.db2.gz YHRFVTMSEQDKFY-SSDOTTSWSA-N -1 3 252.270 0.304 20 10 CCCDHM [O-]c1c(CN2CC[C@@H](O)[C@@H](CO)C2)ccc(F)c1F ZINC000877592669 646826420 /nfs/dbraw/zinc/82/64/20/646826420.db2.gz RPARWFSQUMAPCX-MWLCHTKSSA-N -1 3 273.279 0.846 20 10 CCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1COCCO1 ZINC000928712347 648659452 /nfs/dbraw/zinc/65/94/52/648659452.db2.gz RUSQGSBCUSWJIY-NSHDSACASA-N -1 3 255.245 0.563 20 10 CCCDHM O=C(CCn1cncn1)NCc1c([O-])cccc1F ZINC000928709909 648659542 /nfs/dbraw/zinc/65/95/42/648659542.db2.gz NOAOIJGWCKCWTM-UHFFFAOYSA-N -1 3 264.260 0.829 20 10 CCCDHM 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0.437 20 10 CCCDHM COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1C ZINC001148218973 840765744 /nfs/dbraw/zinc/76/57/44/840765744.db2.gz PVHFXXYWLAYATF-JTQLQIEISA-N -1 3 294.307 0.027 20 10 CCCDHM CC(=O)[C@@H]1CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148588271 840853114 /nfs/dbraw/zinc/85/31/14/840853114.db2.gz QFABLBLFLFYRIR-MRVPVSSYSA-N -1 3 265.265 0.855 20 10 CCCDHM O=C(NCC1(O)CCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589545 840857147 /nfs/dbraw/zinc/85/71/47/840857147.db2.gz BAQLXVHHJXEYPW-UHFFFAOYSA-N -1 3 253.254 0.448 20 10 CCCDHM O=S(=O)([N-]CCc1cc(O)c(O)cc1O)c1ccco1 ZINC001186868310 844608115 /nfs/dbraw/zinc/60/81/15/844608115.db2.gz GWINJGIKUNBZOE-UHFFFAOYSA-N -1 3 299.304 0.917 20 10 CCCDHM O=C(NCc1cn[nH]n1)c1ccc(O)c([O-])c1Cl ZINC001193236918 846030047 /nfs/dbraw/zinc/03/00/47/846030047.db2.gz UEZHAOSVQQKKMV-UHFFFAOYSA-N -1 3 268.660 0.799 20 10 CCCDHM C[C@H](NC(=O)[C@H](C)[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC001332421874 918145022 /nfs/dbraw/zinc/14/50/22/918145022.db2.gz 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