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O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)NCCc1cc2ccccc2o1 ZINC000570890341 319521488 /nfs/dbraw/zinc/52/14/88/319521488.db2.gz IPMHCFGPFRFHNS-LXZKKBNFSA-N -1 0 342.395 2.870 10 0 EFAERM C/C=C\C[C@@H](NC(=O)NCc1ccccc1OCC(C)C)C(=O)[O-] ZINC000571144485 319545665 /nfs/dbraw/zinc/54/56/65/319545665.db2.gz GOYVJALXMDLBIF-FOSCPCJNSA-N -1 0 334.416 2.940 10 0 EFAERM C[C@H]1CCN(C(=O)Nc2ccccc2OC(F)F)C[C@H]1C(=O)[O-] ZINC000571326661 319563934 /nfs/dbraw/zinc/56/39/34/319563934.db2.gz JLIGGXNLGGGTHJ-VHSXEESVSA-N -1 0 328.315 2.863 10 0 EFAERM C[C@H]1CCN(C(=O)NCCCCN(C)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000571639218 319593256 /nfs/dbraw/zinc/59/32/56/319593256.db2.gz SLJPZOIKGVIXTI-RDJZCZTQSA-N -1 0 347.459 2.655 10 0 EFAERM CCOc1cc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1OC ZINC000571682856 319597640 /nfs/dbraw/zinc/59/76/40/319597640.db2.gz ZAQFJUKTRMUMHW-DGCLKSJQSA-N -1 0 336.388 2.668 10 0 EFAERM c1cnc(OC2CCCC2)c(CN=c2[n-]c(C3CCOCC3)no2)c1 ZINC000571741094 319602598 /nfs/dbraw/zinc/60/25/98/319602598.db2.gz QDIKDLYGOZPMHD-UHFFFAOYSA-N -1 0 344.415 2.714 10 0 EFAERM Cc1cc(F)ccc1-n1ccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000571763121 319604874 /nfs/dbraw/zinc/60/48/74/319604874.db2.gz YQVWKOSBQNLTMW-FZMZJTMJSA-N -1 0 345.374 2.503 10 0 EFAERM C[C@H](NC(=O)N(CCc1ccccc1)CC(=O)[O-])c1cscn1 ZINC000571894263 319617236 /nfs/dbraw/zinc/61/72/36/319617236.db2.gz GCWULZKSZAFJKW-LBPRGKRZSA-N -1 0 333.413 2.543 10 0 EFAERM COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000571915067 319619010 /nfs/dbraw/zinc/61/90/10/319619010.db2.gz STKOUEHNYJKKGS-GZBFAFLISA-N -1 0 334.416 2.817 10 0 EFAERM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2scnc2C2CC2)c1 ZINC000571955242 319621852 /nfs/dbraw/zinc/62/18/52/319621852.db2.gz PPTBLFKMUCOBTD-CYBMUJFWSA-N -1 0 346.408 2.975 10 0 EFAERM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2scnc2C2CC2)c1 ZINC000571955243 319621859 /nfs/dbraw/zinc/62/18/59/319621859.db2.gz PPTBLFKMUCOBTD-ZDUSSCGKSA-N -1 0 346.408 2.975 10 0 EFAERM Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC000572124490 319639808 /nfs/dbraw/zinc/63/98/08/319639808.db2.gz ZIAJZPALBMWPMM-BLLLJJGKSA-N -1 0 329.400 2.715 10 0 EFAERM C[C@H]1CCN(C(=O)CCOc2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000572242978 319650577 /nfs/dbraw/zinc/65/05/77/319650577.db2.gz FOPJMDSGVSESEC-SMDDNHRTSA-N -1 0 325.792 2.678 10 0 EFAERM COc1ccc(-c2csc(N3CCO[C@@H](C)C3)n2)c2occ([O-])c21 ZINC000572657891 319691932 /nfs/dbraw/zinc/69/19/32/319691932.db2.gz VAPIBMDDWSKRNY-JTQLQIEISA-N -1 0 346.408 2.619 10 0 EFAERM C/C=C\C[C@@H](NC(=O)NCc1ccc(Cl)cc1OC)C(=O)[O-] ZINC000572703025 319695908 /nfs/dbraw/zinc/69/59/08/319695908.db2.gz UJLZPZMJHCOMSC-VSQXVHSFSA-N -1 0 326.780 2.567 10 0 EFAERM C[C@@H]1CCN(c2cc(N3CCc4ccccc43)ncn2)C[C@H]1C(=O)[O-] ZINC000572842124 319709428 /nfs/dbraw/zinc/70/94/28/319709428.db2.gz RRMVJOWIRBGGCB-UKRRQHHQSA-N -1 0 338.411 2.718 10 0 EFAERM CCc1cc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nc(-c2ccccn2)n1 ZINC000572879526 319713130 /nfs/dbraw/zinc/71/31/30/319713130.db2.gz LMACNPSVNIMOIH-JSGCOSHPSA-N -1 0 326.400 2.648 10 0 EFAERM Cc1cc([C@H]2CN(C(=O)C3(C(=O)[O-])CCCC3)CCO2)ccc1F ZINC000573004181 319725152 /nfs/dbraw/zinc/72/51/52/319725152.db2.gz RPEMMPXOHSVDRM-OAHLLOKOSA-N -1 0 335.375 2.679 10 0 EFAERM CC(C)[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)C1(CO)CCCC1 ZINC000573106486 319734649 /nfs/dbraw/zinc/73/46/49/319734649.db2.gz LHWQLMCXHAZTLI-LLVKDONJSA-N -1 0 332.853 2.809 10 0 EFAERM C[C@H]1C[C@@H](NC(=O)N=c2nc(-c3ccsc3)[n-]s2)c2nccn21 ZINC000573299155 319751912 /nfs/dbraw/zinc/75/19/12/319751912.db2.gz YMCQQHJFGVDSTD-WCBMZHEXSA-N -1 0 346.441 2.713 10 0 EFAERM CC[C@@H](C)C[C@@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)C(=O)[O-] ZINC000573375101 319760030 /nfs/dbraw/zinc/76/00/30/319760030.db2.gz MVEPXDPTFUWXGH-IUODEOHRSA-N -1 0 346.431 2.707 10 0 EFAERM O=C(N=c1[n-]ncs1)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000573440306 319766213 /nfs/dbraw/zinc/76/62/13/319766213.db2.gz IETPBCNHPUMXAS-GHMZBOCLSA-N -1 0 342.428 2.684 10 0 EFAERM C[C@@H](C(=O)NC1(CC(=O)[O-])CC1)c1ccc(Br)s1 ZINC000573496409 319771526 /nfs/dbraw/zinc/77/15/26/319771526.db2.gz MIAQNNUDLLFHLT-SSDOTTSWSA-N -1 0 332.219 2.738 10 0 EFAERM CC(C)(C)CC[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)[O-] ZINC000573546297 319775616 /nfs/dbraw/zinc/77/56/16/319775616.db2.gz YXRSVUXUCSKQEG-YIYPIFLZSA-N -1 0 326.437 2.523 10 0 EFAERM CCOc1ccc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1OCC ZINC000573608972 319782190 /nfs/dbraw/zinc/78/21/90/319782190.db2.gz NTLJWBQFWZUPIV-GXTWGEPZSA-N -1 0 335.400 2.667 10 0 EFAERM Cc1cc(N2CC[C@@](C(=O)[O-])(C(C)C)C2)nc(-c2ccccn2)n1 ZINC000573729560 319793474 /nfs/dbraw/zinc/79/34/74/319793474.db2.gz WYMUGTWHMOASFV-SFHVURJKSA-N -1 0 326.400 2.784 10 0 EFAERM O=C(N=c1[n-]nc(Cc2ccc(F)cc2)s1)NCCCCF ZINC000573744010 319794784 /nfs/dbraw/zinc/79/47/84/319794784.db2.gz KJVDOHGQYUZXAU-UHFFFAOYSA-N -1 0 326.372 2.561 10 0 EFAERM COc1c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cccc1C(N)=O ZINC000573787417 319798262 /nfs/dbraw/zinc/79/82/62/319798262.db2.gz USQWQFDJLABMMM-UHFFFAOYSA-N -1 0 338.722 2.545 10 0 EFAERM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1cccnc1 ZINC000573847495 319804371 /nfs/dbraw/zinc/80/43/71/319804371.db2.gz QCALPTSAQFXSDX-OLMNPRSZSA-N -1 0 338.407 2.902 10 0 EFAERM CC[C@@H](C)C[C@@H](NC(=O)Cc1ccccc1Br)C(=O)[O-] ZINC000574042240 319824769 /nfs/dbraw/zinc/82/47/69/319824769.db2.gz GVKMAKZFXYVUSH-ZWNOBZJWSA-N -1 0 342.233 2.997 10 0 EFAERM C[C@@H]1CCN(C(=O)N[C@@H]2CCSc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000574154871 319835194 /nfs/dbraw/zinc/83/51/94/319835194.db2.gz WHRHTTICWDAYPH-KWCYVHTRSA-N -1 0 334.441 2.976 10 0 EFAERM c1cc(CN=c2[n-]c(C3CCOCC3)no2)cc(OC2CCCC2)n1 ZINC000574380492 319856699 /nfs/dbraw/zinc/85/66/99/319856699.db2.gz RBJHDDOOYWPMJP-UHFFFAOYSA-N -1 0 344.415 2.714 10 0 EFAERM Clc1ccc(N2CCOCC2)c(CN=c2[n-]c(C3CCC3)no2)c1 ZINC000574485755 319866475 /nfs/dbraw/zinc/86/64/75/319866475.db2.gz FFAZCCBQHUADRI-UHFFFAOYSA-N -1 0 348.834 2.861 10 0 EFAERM COc1ccc(Cl)cc1CNC(=O)N(CC(=O)[O-])CC(C)C ZINC000574544642 319872470 /nfs/dbraw/zinc/87/24/70/319872470.db2.gz GCXKFYCOVFLWKK-UHFFFAOYSA-N -1 0 328.796 2.601 10 0 EFAERM CO[C@@H]1CCC[C@H]1CNC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000574561113 319873251 /nfs/dbraw/zinc/87/32/51/319873251.db2.gz YOFAHADLWWXZDK-GXSJLCMTSA-N -1 0 338.458 2.625 10 0 EFAERM CCCCc1n[n-]c(=NC(=O)N[C@H]2CCc3cc(N)ccc32)s1 ZINC000575073151 319922966 /nfs/dbraw/zinc/92/29/66/319922966.db2.gz SRTQXQYMKXRPJW-ZDUSSCGKSA-N -1 0 331.445 2.694 10 0 EFAERM CSc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)cc1Cl ZINC000575110775 319925458 /nfs/dbraw/zinc/92/54/58/319925458.db2.gz MIHRBCAHQZACDF-UHFFFAOYSA-N -1 0 349.861 2.595 10 0 EFAERM Cc1nc([C@@H](C)NS(=O)(=O)CCC2CCCC2)sc1C(=O)[O-] ZINC000575177859 319932526 /nfs/dbraw/zinc/93/25/26/319932526.db2.gz AYYGAGGTOJOPBY-SNVBAGLBSA-N -1 0 346.474 2.710 10 0 EFAERM CC(C)(CC(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)C(=O)[O-] ZINC000576023162 319976282 /nfs/dbraw/zinc/97/62/82/319976282.db2.gz FVAASWIDHIETPI-GJZGRUSLSA-N -1 0 335.400 2.808 10 0 EFAERM C[C@@H](CC(=O)[O-])CC(=O)NCc1cc(F)cc(Br)c1 ZINC000576291802 320002893 /nfs/dbraw/zinc/00/28/93/320002893.db2.gz SOQPHDRUUORYLT-MRVPVSSYSA-N -1 0 332.169 2.705 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCC(C)(C)C[C@H]2C(=O)[O-])c(Cl)c1 ZINC000576095233 319982856 /nfs/dbraw/zinc/98/28/56/319982856.db2.gz KQMGSGPCEBVJBR-LBPRGKRZSA-N -1 0 345.848 2.912 10 0 EFAERM CC(C)Oc1ccc(=NC(=O)NC2CCC(C(F)F)CC2)[n-]n1 ZINC000576206427 319993173 /nfs/dbraw/zinc/99/31/73/319993173.db2.gz LQHSDTSFFPPYPW-UHFFFAOYSA-N -1 0 328.363 2.631 10 0 EFAERM CCO[C@H](CNC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC000576240998 319998157 /nfs/dbraw/zinc/99/81/57/319998157.db2.gz IINKBOZJYPUBKE-JKSUJKDBSA-N -1 0 336.432 2.905 10 0 EFAERM Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000576256680 319999556 /nfs/dbraw/zinc/99/95/56/319999556.db2.gz PMXARYYTWYJBEF-JTQLQIEISA-N -1 0 335.433 2.766 10 0 EFAERM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnn3c2C[C@H](C)CC3)cc1 ZINC000576282767 320001603 /nfs/dbraw/zinc/00/16/03/320001603.db2.gz SIWBHJGLQXVXIX-NEPJUHHUSA-N -1 0 327.384 2.906 10 0 EFAERM CCO[C@@H]1C[C@](NC(=O)NCCCC2CCCC2)(C(=O)[O-])C1(C)C ZINC000576297370 320003309 /nfs/dbraw/zinc/00/33/09/320003309.db2.gz PLSJNQBJNYUXFA-KDOFPFPSSA-N -1 0 340.464 2.914 10 0 EFAERM CCn1c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)nc2cccnc21 ZINC000576464593 320018145 /nfs/dbraw/zinc/01/81/45/320018145.db2.gz SBAUWKFHYBLGFI-UHFFFAOYSA-N -1 0 342.424 2.741 10 0 EFAERM C/C=C\C[C@H](NC(=O)NC[C@H](CC)Oc1ccccc1F)C(=O)[O-] ZINC000576539713 320025347 /nfs/dbraw/zinc/02/53/47/320025347.db2.gz QDDLPDCIQVYRAS-GSBHKFGHSA-N -1 0 338.379 2.702 10 0 EFAERM CCOc1ccc(CNC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1F ZINC000576539752 320025517 /nfs/dbraw/zinc/02/55/17/320025517.db2.gz RBSMMTIOIDOTTB-RISCZKNCSA-N -1 0 338.379 2.619 10 0 EFAERM CC(C)(C)C[C@@H](NS(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000576597614 320031837 /nfs/dbraw/zinc/03/18/37/320031837.db2.gz DVHAAPMDDMSUPD-MRVPVSSYSA-N -1 0 325.839 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/nfs/dbraw/zinc/25/91/22/481259122.db2.gz CJMPJKIKUKUWCF-ZDUSSCGKSA-N -1 0 347.371 2.578 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](C)OCc2ccccc2)n1 ZINC000659186308 481259187 /nfs/dbraw/zinc/25/91/87/481259187.db2.gz HNOAPAXTCQPXRE-HIFRSBDPSA-N -1 0 345.399 2.853 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(OC)cc2OC)n1 ZINC000659186935 481259198 /nfs/dbraw/zinc/25/91/98/481259198.db2.gz CJMPJKIKUKUWCF-CYBMUJFWSA-N -1 0 347.371 2.578 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C(C)=O)cs2)n1 ZINC000659185933 481259523 /nfs/dbraw/zinc/25/95/23/481259523.db2.gz DQHCTXWGBOFHSB-NSHDSACASA-N -1 0 335.385 2.825 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2COc3ccccc3C2)[C@@H]2CCCC[C@H]12 ZINC000659188465 481262200 /nfs/dbraw/zinc/26/22/00/481262200.db2.gz IMLKLEMSSJYCGI-YLFCFFPRSA-N -1 0 343.423 2.730 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2OCC)n1 ZINC000659189370 481262371 /nfs/dbraw/zinc/26/23/71/481262371.db2.gz XXZZQTLGNZNUPX-ZDUSSCGKSA-N -1 0 331.372 2.960 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2COc3ccccc3C2)[C@H]2CCCC[C@H]12 ZINC000659188457 481262428 /nfs/dbraw/zinc/26/24/28/481262428.db2.gz IMLKLEMSSJYCGI-HZMVEIRTSA-N -1 0 343.423 2.730 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)COc2cc(C)cc(C)c2)n1 ZINC000659188745 481262454 /nfs/dbraw/zinc/26/24/54/481262454.db2.gz RZUYGKLTWCGZAP-OAHLLOKOSA-N -1 0 345.399 2.943 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)n1 ZINC000659189773 481263650 /nfs/dbraw/zinc/26/36/50/481263650.db2.gz YUPCYVXLKKQTJJ-BXUZGUMPSA-N -1 0 349.362 2.854 10 0 EFAERM CO[C@@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000659191628 481264954 /nfs/dbraw/zinc/26/49/54/481264954.db2.gz MCDHDPBUBUOUBR-LUKYLMHMSA-N -1 0 331.412 2.866 10 0 EFAERM CO[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000659194375 481265898 /nfs/dbraw/zinc/26/58/98/481265898.db2.gz MCDHDPBUBUOUBR-TWMKSMIVSA-N -1 0 331.412 2.866 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)COC3)[C@H]2CCCC[C@H]12 ZINC000659196449 481267085 /nfs/dbraw/zinc/26/70/85/481267085.db2.gz UTUGAQHFMKYSDV-ZACQAIPSSA-N -1 0 329.396 2.822 10 0 EFAERM COc1ccc(O)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000659196145 481267146 /nfs/dbraw/zinc/26/71/46/481267146.db2.gz SGIGUSGGRGRZNG-KCQAQPDRSA-N -1 0 333.384 2.506 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)C2=Cc3ccccc3OC2)[C@@H]2CCCC[C@@H]12 ZINC000659195552 481267213 /nfs/dbraw/zinc/26/72/13/481267213.db2.gz PYRWOBIVRHVDJC-GVDBMIGSSA-N -1 0 341.407 2.954 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)Cn2ncc3ccccc32)[C@H]2CCCC[C@@H]12 ZINC000659195718 481267221 /nfs/dbraw/zinc/26/72/21/481267221.db2.gz QZXPDIBASIKXTB-UXLLHSPISA-N -1 0 341.411 2.528 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)COC3)[C@H]2CCCC[C@@H]12 ZINC000659196446 481267373 /nfs/dbraw/zinc/26/73/73/481267373.db2.gz UTUGAQHFMKYSDV-BBWFWOEESA-N -1 0 329.396 2.822 10 0 EFAERM COCc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000659196937 481268572 /nfs/dbraw/zinc/26/85/72/481268572.db2.gz YVFOGYPOKPFRBG-YESZJQIVSA-N -1 0 331.412 2.939 10 0 EFAERM COc1cccc([C@]2(C)CCN(C(=O)c3cc(C(=O)[O-])co3)C2)c1 ZINC000659198460 481268599 /nfs/dbraw/zinc/26/85/99/481268599.db2.gz FEOCECITALEWMF-GOSISDBHSA-N -1 0 329.352 2.790 10 0 EFAERM CC(C)c1cc(C(=O)NCc2ccoc2C(=O)[O-])nn1C(C)(C)C ZINC000659197732 481268668 /nfs/dbraw/zinc/26/86/68/481268668.db2.gz KWDVNYGUDYBOSY-UHFFFAOYSA-N -1 0 333.388 2.983 10 0 EFAERM COc1cccc([C@@]2(C)CCN(C(=O)c3cc(C(=O)[O-])ccn3)C2)c1 ZINC000659198497 481268725 /nfs/dbraw/zinc/26/87/25/481268725.db2.gz FYSANXGWYWIZQN-IBGZPJMESA-N -1 0 340.379 2.592 10 0 EFAERM COc1ccc(S[C@@H](C)C(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000659197618 481269452 /nfs/dbraw/zinc/26/94/52/481269452.db2.gz HCVCYXCDXKBLTQ-JTQLQIEISA-N -1 0 335.381 2.783 10 0 EFAERM CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)C1CC(C(=O)[O-])C1 ZINC000659199711 481270249 /nfs/dbraw/zinc/27/02/49/481270249.db2.gz RFSHENWZGZAFRC-SSDMNJCBSA-N -1 0 335.375 2.615 10 0 EFAERM COCC1(CNC(=O)C[C@@](C)(C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000653473565 481270574 /nfs/dbraw/zinc/27/05/74/481270574.db2.gz FVWNLZLYPGGTKG-MRXNPFEDSA-N -1 0 339.819 2.615 10 0 EFAERM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCOC[C@H]2c2cccc(F)c2)C1 ZINC000659200104 481270542 /nfs/dbraw/zinc/27/05/42/481270542.db2.gz UEGJJFVEDMZRRK-LZWOXQAQSA-N -1 0 335.375 2.617 10 0 EFAERM COc1ccc(C(=O)NCc2ccoc2C(=O)[O-])c(OCC2CC2)c1 ZINC000659201430 481271466 /nfs/dbraw/zinc/27/14/66/481271466.db2.gz SXWRZQIEYLZSPD-UHFFFAOYSA-N -1 0 345.351 2.705 10 0 EFAERM CC(C)(C(=O)[O-])n1ccc(NC(=O)CCCOc2ccccc2)n1 ZINC000659201172 481271609 /nfs/dbraw/zinc/27/16/09/481271609.db2.gz IYDKRXCCVYPGBJ-UHFFFAOYSA-N -1 0 331.372 2.501 10 0 EFAERM COc1ccc(C(=O)NCc2ccoc2C(=O)[O-])c(OC(C)C)c1 ZINC000659200924 481271636 /nfs/dbraw/zinc/27/16/36/481271636.db2.gz MPWYGMHJBGSDJG-UHFFFAOYSA-N -1 0 333.340 2.704 10 0 EFAERM CC(C)(C(=O)[O-])n1ccc(NC(=O)CCSc2ccccc2)n1 ZINC000659201279 481272051 /nfs/dbraw/zinc/27/20/51/481272051.db2.gz XGNJQGUWYKRKLL-UHFFFAOYSA-N -1 0 333.413 2.824 10 0 EFAERM COc1ccc2c(CC(=O)NC[C@@H](CC(=O)[O-])C3CC3)coc2c1 ZINC000659202372 481272061 /nfs/dbraw/zinc/27/20/61/481272061.db2.gz OCUFBPWZNWHYNX-GFCCVEGCSA-N -1 0 331.368 2.601 10 0 EFAERM O=C([O-])C[C@H](CNC(=O)c1ccc(Br)s1)C1CC1 ZINC000659202391 481272143 /nfs/dbraw/zinc/27/21/43/481272143.db2.gz OUDXFFHZLCHVNC-MRVPVSSYSA-N -1 0 332.219 2.741 10 0 EFAERM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2F)CC2CC2)cn1 ZINC000659201989 481272270 /nfs/dbraw/zinc/27/22/70/481272270.db2.gz ZLRUIMPJSAELAE-UHFFFAOYSA-N -1 0 328.343 2.971 10 0 EFAERM Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659203292 481273005 /nfs/dbraw/zinc/27/30/05/481273005.db2.gz HHPJSCGIIQRLCV-CQSZACIVSA-N -1 0 328.368 2.881 10 0 EFAERM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccccc2OC2CCC2)n1 ZINC000659203177 481273298 /nfs/dbraw/zinc/27/32/98/481273298.db2.gz DBFVMCCBZRVRNE-UHFFFAOYSA-N -1 0 343.383 2.886 10 0 EFAERM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659204585 481274827 /nfs/dbraw/zinc/27/48/27/481274827.db2.gz XNRBAZWUUYZFEL-QWRGUYRKSA-N -1 0 333.413 2.815 10 0 EFAERM COc1ccc(F)c2[nH]c(C(=O)NC[C@@H](CC(=O)[O-])C3CC3)cc21 ZINC000659206916 481275750 /nfs/dbraw/zinc/27/57/50/481275750.db2.gz JGWMQWVUNGWFMG-SNVBAGLBSA-N -1 0 334.347 2.546 10 0 EFAERM O=C([O-])C[C@@H](CNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C1CC1 ZINC000659205651 481275780 /nfs/dbraw/zinc/27/57/80/481275780.db2.gz APJVSQFLVIKJRI-NSHDSACASA-N -1 0 347.802 2.961 10 0 EFAERM Cc1c(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cnn1-c1ccccc1F ZINC000659206947 481275996 /nfs/dbraw/zinc/27/59/96/481275996.db2.gz OISBMXIBEQLDSO-CYBMUJFWSA-N -1 0 345.374 2.551 10 0 EFAERM Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659206200 481276406 /nfs/dbraw/zinc/27/64/06/481276406.db2.gz ZNQQEBBROSXSGH-HNNXBMFYSA-N -1 0 341.411 2.720 10 0 EFAERM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000659206142 481276757 /nfs/dbraw/zinc/27/67/57/481276757.db2.gz YMYGRIICSOYEIL-DIOULYMOSA-N -1 0 344.411 2.512 10 0 EFAERM Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659207799 481277534 /nfs/dbraw/zinc/27/75/34/481277534.db2.gz CBQRGGJSRONYPW-ZDUSSCGKSA-N -1 0 344.415 2.551 10 0 EFAERM CO[C@@H](C)c1nc(=NC(=O)NC[C@H]2C[C@@H]2c2ccccc2)s[n-]1 ZINC000646407175 481278475 /nfs/dbraw/zinc/27/84/75/481278475.db2.gz ILCUDYSVNZWXRF-CYZMBNFOSA-N -1 0 332.429 2.593 10 0 EFAERM Cc1nc2cc(F)cc(C(=O)NC[C@H](CC(=O)[O-])C3CC3)c2nc1C ZINC000659210681 481278647 /nfs/dbraw/zinc/27/86/47/481278647.db2.gz OPJVDJJNGGZATJ-LBPRGKRZSA-N -1 0 345.374 2.616 10 0 EFAERM CNc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659209198 481278760 /nfs/dbraw/zinc/27/87/60/481278760.db2.gz NMMOGKVDGYKOLS-SNVBAGLBSA-N -1 0 344.333 2.978 10 0 EFAERM O=C([O-])C[C@@H](CNC(=O)Cc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000659209708 481279107 /nfs/dbraw/zinc/27/91/07/481279107.db2.gz KXILXVFPXKMHHO-ZDUSSCGKSA-N -1 0 346.358 2.640 10 0 EFAERM Cc1ccc(-c2cnc(CCC(=O)N[C@@](C)(CCF)C(=O)[O-])o2)cc1 ZINC000659209874 481279128 /nfs/dbraw/zinc/27/91/28/481279128.db2.gz PEXKEOUIRGHPGO-SFHVURJKSA-N -1 0 348.374 2.902 10 0 EFAERM Cc1ccc(-c2cnc(CCC(=O)N[C@](C)(CCF)C(=O)[O-])o2)cc1 ZINC000659209871 481279314 /nfs/dbraw/zinc/27/93/14/481279314.db2.gz PEXKEOUIRGHPGO-GOSISDBHSA-N -1 0 348.374 2.902 10 0 EFAERM CC[C@@H](C)c1nc(C)c(CC(=O)NC[C@H](CC(=O)[O-])C2CC2)c(C)n1 ZINC000659209855 481279349 /nfs/dbraw/zinc/27/93/49/481279349.db2.gz QAKFTEGLCCGOMZ-ABAIWWIYSA-N -1 0 347.459 2.767 10 0 EFAERM CNc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659209196 481279629 /nfs/dbraw/zinc/27/96/29/481279629.db2.gz NMMOGKVDGYKOLS-JTQLQIEISA-N -1 0 344.333 2.978 10 0 EFAERM CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1C(C)C ZINC000659209075 481279711 /nfs/dbraw/zinc/27/97/11/481279711.db2.gz MHFACSJIKHXGRD-CYBMUJFWSA-N -1 0 334.416 2.880 10 0 EFAERM Cc1ccc(C)c(C(=O)CCC(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1 ZINC000659211056 481280797 /nfs/dbraw/zinc/28/07/97/481280797.db2.gz XEIJTBYRIWPMQV-OAHLLOKOSA-N -1 0 331.412 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525747531 /nfs/dbraw/zinc/74/75/31/525747531.db2.gz UDXSEUPXYYPPMS-NSHDSACASA-N -1 0 338.212 2.540 10 0 EFAERM Cc1ccoc1CNC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263341951 525801295 /nfs/dbraw/zinc/80/12/95/525801295.db2.gz FPODHNQXTFWWSU-HNNXBMFYSA-N -1 0 330.384 2.863 10 0 EFAERM COc1cccc(CCCNC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263307584 525887954 /nfs/dbraw/zinc/88/79/54/525887954.db2.gz XZELDOSVWCCALD-UHFFFAOYSA-N -1 0 334.416 2.570 10 0 EFAERM Cc1c2ccc(NC(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cc2nn1C ZINC000263111587 525965335 /nfs/dbraw/zinc/96/53/35/525965335.db2.gz VTBYXNYROPJETG-KPZWWZAWSA-N -1 0 342.399 2.600 10 0 EFAERM CSc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)cc1 ZINC000179834742 526054317 /nfs/dbraw/zinc/05/43/17/526054317.db2.gz VLZCWNOONVRCMJ-UHFFFAOYSA-N -1 0 346.437 2.994 10 0 EFAERM COc1cccc(F)c1[C@H](C)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263312188 526124702 /nfs/dbraw/zinc/12/47/02/526124702.db2.gz ICTZCPVKSQHDIH-SDDRHHMPSA-N -1 0 338.379 2.648 10 0 EFAERM COc1cccc(F)c1[C@H](C)NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263312190 526124994 /nfs/dbraw/zinc/12/49/94/526124994.db2.gz ICTZCPVKSQHDIH-SRVKXCTJSA-N -1 0 338.379 2.648 10 0 EFAERM Cc1ccc(C(=O)NCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C ZINC000237864252 526154339 /nfs/dbraw/zinc/15/43/39/526154339.db2.gz MHGANBVODZCIQH-UHFFFAOYSA-N -1 0 344.342 2.509 10 0 EFAERM C[C@H](C(=O)[O-])N(Cc1nc2sc3c(c2c(N)n1)CCCC3)C1CC1 ZINC000263036055 526183739 /nfs/dbraw/zinc/18/37/39/526183739.db2.gz BTKIKCJQKJOWMI-SECBINFHSA-N -1 0 346.456 2.590 10 0 EFAERM Cc1cc(C(=O)CN([C@H](C)C(=O)[O-])C2CC2)c(C)n1CC(F)(F)F ZINC000263187311 526203209 /nfs/dbraw/zinc/20/32/09/526203209.db2.gz VBFAJEHKTYYYLY-LLVKDONJSA-N -1 0 346.349 2.787 10 0 EFAERM Cc1cnccc1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263084609 526240548 /nfs/dbraw/zinc/24/05/48/526240548.db2.gz RRSXIEHUWIAGTN-OAHLLOKOSA-N -1 0 327.384 2.988 10 0 EFAERM Cc1cnn(-c2ccc(C(=O)NC3(CC(=O)[O-])CCCC3)cc2)c1 ZINC000262910953 526247584 /nfs/dbraw/zinc/24/75/84/526247584.db2.gz NEJKZFBVZVEEAF-UHFFFAOYSA-N -1 0 327.384 2.698 10 0 EFAERM Cc1ccc(C)c(C(=O)CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000263162132 526257764 /nfs/dbraw/zinc/25/77/64/526257764.db2.gz ZVRCCDIXNGLYIA-YZVOILCLSA-N -1 0 343.423 2.978 10 0 EFAERM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263346437 526265184 /nfs/dbraw/zinc/26/51/84/526265184.db2.gz UFBDIYRXAKWLMO-CABCVRRESA-N -1 0 346.427 2.820 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C1 ZINC000263035927 526279536 /nfs/dbraw/zinc/27/95/36/526279536.db2.gz LDQXWJMXPRSADK-GFCCVEGCSA-N -1 0 348.790 2.523 10 0 EFAERM O=C([O-])[C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@H]1C(F)(F)F ZINC000262109384 526286564 /nfs/dbraw/zinc/28/65/64/526286564.db2.gz FHSWZXORNIEKPS-VXGBXAGGSA-N -1 0 338.285 2.570 10 0 EFAERM O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)CCc2ccco2)C1 ZINC000180314290 526289422 /nfs/dbraw/zinc/28/94/22/526289422.db2.gz XHXQDLGIQYJCKC-HZPDHXFCSA-N -1 0 327.380 2.929 10 0 EFAERM O=C([O-])[C@@H]1C[C@H](c2ccccc2)CN(C(=O)Cc2ccc(O)cc2)C1 ZINC000180300561 526291712 /nfs/dbraw/zinc/29/17/12/526291712.db2.gz LLOAZVJTKADNHV-DLBZAZTESA-N -1 0 339.391 2.652 10 0 EFAERM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)NCCc1ccc(Cl)s1)C2 ZINC000263057864 526297983 /nfs/dbraw/zinc/29/79/83/526297983.db2.gz RRYUEQUUTXVNGP-ZUZCIYMTSA-N -1 0 342.848 2.840 10 0 EFAERM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)C[C@@H]1CCCO1 ZINC000263093922 526304933 /nfs/dbraw/zinc/30/49/33/526304933.db2.gz QPUYFRORAYZODJ-ZOBUZTSGSA-N -1 0 331.412 2.635 10 0 EFAERM O=C([O-])[C@H]1CCN(C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000263133078 526327092 /nfs/dbraw/zinc/32/70/92/526327092.db2.gz ZBNJLVBBCWHYTF-JTQLQIEISA-N -1 0 328.821 2.548 10 0 EFAERM O=C([O-])[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000180289978 526334222 /nfs/dbraw/zinc/33/42/22/526334222.db2.gz RYWYGKHOVXLTKH-CABCVRRESA-N -1 0 339.395 2.618 10 0 EFAERM O=C([O-])[C@H]1C[C@H](c2ccccc2)CN(C(=O)CCc2cscn2)C1 ZINC000180322748 526334411 /nfs/dbraw/zinc/33/44/11/526334411.db2.gz ZMKKHDZUXYECGC-GJZGRUSLSA-N -1 0 344.436 2.793 10 0 EFAERM O=C([O-])c1ccc(CNC(=O)N2CC(COc3ccccc3)C2)cc1 ZINC000263329429 526366053 /nfs/dbraw/zinc/36/60/53/526366053.db2.gz CBKDHLVZXULIJD-UHFFFAOYSA-N -1 0 340.379 2.605 10 0 EFAERM O=C([O-])c1ccc(CNC(=O)Nc2nc3c(s2)CSCC3)cc1 ZINC000263067065 526367000 /nfs/dbraw/zinc/36/70/00/526367000.db2.gz PHTJWVDLWSDPHZ-UHFFFAOYSA-N -1 0 349.437 2.952 10 0 EFAERM O=C([O-])c1ccccc1CC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000262246345 526395752 /nfs/dbraw/zinc/39/57/52/526395752.db2.gz YOTRQVUDLSWMBX-HNNXBMFYSA-N -1 0 331.393 2.589 10 0 EFAERM O=C([O-])c1ccn(-c2ccccc2NC(=O)CCc2ccco2)n1 ZINC000238230680 526398924 /nfs/dbraw/zinc/39/89/24/526398924.db2.gz LWPKJIBCQQHULH-UHFFFAOYSA-N -1 0 325.324 2.735 10 0 EFAERM Cc1csc([C@@H](C)CNC(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC000263221639 526403983 /nfs/dbraw/zinc/40/39/83/526403983.db2.gz KUGQHKCLWGGTQT-JTQLQIEISA-N -1 0 333.413 2.753 10 0 EFAERM CC(=O)CCc1ccc(OCC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000184159602 526425972 /nfs/dbraw/zinc/42/59/72/526425972.db2.gz JZRAKKZBFIEKDL-UHFFFAOYSA-N -1 0 345.370 2.974 10 0 EFAERM Cc1nc(-c2ccccc2)sc1CNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263234182 526604177 /nfs/dbraw/zinc/60/41/77/526604177.db2.gz MUTUWBDNNVNLBI-CYBMUJFWSA-N -1 0 345.424 2.735 10 0 EFAERM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCO[C@@H](c2ccco2)C1 ZINC000194822157 526616355 /nfs/dbraw/zinc/61/63/55/526616355.db2.gz QKAGBWJCSIKBJG-CYBMUJFWSA-N -1 0 325.723 2.991 10 0 EFAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000155137015 526672567 /nfs/dbraw/zinc/67/25/67/526672567.db2.gz YTJRPLLGWQATRK-RYUDHWBXSA-N -1 0 346.210 2.719 10 0 EFAERM Cc1nc(COc2cccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c2)cs1 ZINC000263045396 526909456 /nfs/dbraw/zinc/90/94/56/526909456.db2.gz DKSGKPLHCXBWFT-BETUJISGSA-N -1 0 346.408 2.624 10 0 EFAERM Cc1nc([C@@H](C)NC(=O)c2cc(F)cc(F)c2)sc1C(=O)[O-] ZINC000237502024 527029502 /nfs/dbraw/zinc/02/95/02/527029502.db2.gz JLYRKUHGKLDCGZ-SSDOTTSWSA-N -1 0 326.324 2.919 10 0 EFAERM Cc1nc([C@@H](C)NC(=O)c2cccc3c[nH]nc32)sc1C(=O)[O-] ZINC000237552937 527031277 /nfs/dbraw/zinc/03/12/77/527031277.db2.gz QPKKTDALVAKVPV-MRVPVSSYSA-N -1 0 330.369 2.517 10 0 EFAERM Cc1nc([C@H](C)NC(=O)[C@H]2COc3ccccc3C2)sc1C(=O)[O-] ZINC000262574508 527061534 /nfs/dbraw/zinc/06/15/34/527061534.db2.gz NXJIPQATFRBFFX-CMPLNLGQSA-N -1 0 346.408 2.578 10 0 EFAERM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1ccc(C(F)(F)F)nc1 ZINC000181216989 527250521 /nfs/dbraw/zinc/25/05/21/527250521.db2.gz CYGVSXBYCQRCRU-UHFFFAOYSA-N -1 0 342.302 2.778 10 0 EFAERM Cc1nc(S(=O)(=O)[N-]c2cc(Br)ccc2C)c[nH]1 ZINC000070069641 527304789 /nfs/dbraw/zinc/30/47/89/527304789.db2.gz XIEYTFTUPQJOSH-UHFFFAOYSA-N -1 0 330.207 2.590 10 0 EFAERM Cc1nc(S(=O)(=O)[N-]c2cc(C)c(Br)c(C)c2)c[nH]1 ZINC000235901195 527305887 /nfs/dbraw/zinc/30/58/87/527305887.db2.gz OGWLSKXCKKWHIV-UHFFFAOYSA-N -1 0 344.234 2.898 10 0 EFAERM Cc1nc(S(=O)(=O)[N-]c2cccc(Br)c2C)c[nH]1 ZINC000218023556 527305913 /nfs/dbraw/zinc/30/59/13/527305913.db2.gz JJWXAUWPEUKSPO-UHFFFAOYSA-N -1 0 330.207 2.590 10 0 EFAERM O=c1[nH]c2cc([N-]S(=O)(=O)c3c(F)cccc3Cl)ccc2o1 ZINC000184796591 527441487 /nfs/dbraw/zinc/44/14/87/527441487.db2.gz BOAHZDWPSMKSAM-UHFFFAOYSA-N -1 0 342.735 2.714 10 0 EFAERM Cc1ncsc1CNC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263236531 527507176 /nfs/dbraw/zinc/50/71/76/527507176.db2.gz NDRKWEQGNYZBHX-AWEZNQCLSA-N -1 0 347.440 2.727 10 0 EFAERM O=C(Nc1nc2c(s1)COCC2)c1cc(F)c([O-])c(Cl)c1 ZINC000194570684 527513208 /nfs/dbraw/zinc/51/32/08/527513208.db2.gz HITQJHDMPKGVOT-UHFFFAOYSA-N -1 0 328.752 2.966 10 0 EFAERM O=C([O-])C1(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CCC1 ZINC000262542035 527553844 /nfs/dbraw/zinc/55/38/44/527553844.db2.gz RGWTYFDCXFCSDW-HOTGVXAUSA-N -1 0 331.412 2.746 10 0 EFAERM O=C([O-])COc1nc(NCCc2cccs2)nc2c1CCCC2 ZINC000073707754 527620598 /nfs/dbraw/zinc/62/05/98/527620598.db2.gz VMQKCOYGMMFNMC-UHFFFAOYSA-N -1 0 333.413 2.535 10 0 EFAERM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000180069949 527645246 /nfs/dbraw/zinc/64/52/46/527645246.db2.gz ZMCHKUBYWSYZSL-ZETCQYMHSA-N -1 0 341.333 2.521 10 0 EFAERM O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cncc(F)c1 ZINC000263210369 527646807 /nfs/dbraw/zinc/64/68/07/527646807.db2.gz ZPQCYBZOVYTABZ-CXAGYDPISA-N -1 0 342.370 2.914 10 0 EFAERM O=C([N-]c1n[nH]c(C2CCC2)n1)c1noc(-c2cccc(F)c2)n1 ZINC000680598083 549355691 /nfs/dbraw/zinc/35/56/91/549355691.db2.gz FZDWSBBNCWVMDX-UHFFFAOYSA-N -1 0 328.307 2.514 10 0 EFAERM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000164280469 527869951 /nfs/dbraw/zinc/86/99/51/527869951.db2.gz LYWYHJAJRVHUCJ-SCZZXKLOSA-N -1 0 329.755 2.646 10 0 EFAERM COc1ccc(C[C@H](C)C(=O)NC2(CC(=O)[O-])CCCC2)cc1OC ZINC000263516697 536515587 /nfs/dbraw/zinc/51/55/87/536515587.db2.gz DYLNRFFGDUYJNG-ZDUSSCGKSA-N -1 0 349.427 2.786 10 0 EFAERM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cc(C(=O)[O-])co1 ZINC000183782809 529134903 /nfs/dbraw/zinc/13/49/03/529134903.db2.gz NUQVFOIGJJENID-HNNXBMFYSA-N -1 0 329.352 2.970 10 0 EFAERM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000171674612 529361012 /nfs/dbraw/zinc/36/10/12/529361012.db2.gz BZQWSHHGJHBAFZ-MRVPVSSYSA-N -1 0 333.215 2.734 10 0 EFAERM CCC(CC)(CNC(=O)N1CCc2cccc(OC)c2CC1)C(=O)[O-] ZINC000424435974 534957677 /nfs/dbraw/zinc/95/76/77/534957677.db2.gz WOVJDZIVRXMNDK-UHFFFAOYSA-N -1 0 348.443 2.696 10 0 EFAERM CCC(CC)(CNC(=O)NCCC[C@@H]1CCCC[C@H]1O)C(=O)[O-] ZINC000424436876 534962627 /nfs/dbraw/zinc/96/26/27/534962627.db2.gz XYAOBGNSHIDEJK-UONOGXRCSA-N -1 0 328.453 2.508 10 0 EFAERM CC(C)(C)n1cnc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000342434641 534964773 /nfs/dbraw/zinc/96/47/73/534964773.db2.gz NGSAQBXUEJLPGP-UHFFFAOYSA-N -1 0 348.350 2.853 10 0 EFAERM CC(C)c1noc2ncc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])cc21 ZINC000424267084 535036421 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329.318 2.969 10 0 EFAERM C[C@@H](NC(=O)Cc1ccc2c(c1)CCCO2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574244 546489337 /nfs/dbraw/zinc/48/93/37/546489337.db2.gz MPLAQNUDDVJUHN-UHOFOFEASA-N -1 0 345.439 2.806 10 0 EFAERM Cc1ccc(F)c(OCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655576375 546489991 /nfs/dbraw/zinc/48/99/91/546489991.db2.gz QFXLOMIBCSUEGZ-RWMBFGLXSA-N -1 0 337.391 2.765 10 0 EFAERM C[C@@H](NC(=O)C1=Cc2cc(F)ccc2OC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576829 546490354 /nfs/dbraw/zinc/49/03/54/546490354.db2.gz VIQQRCMKOZVBQB-WKPIXPDZSA-N -1 0 347.386 2.853 10 0 EFAERM COCCOc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655580100 546490894 /nfs/dbraw/zinc/49/08/94/546490894.db2.gz GQPSGDFMESPUAH-UHOFOFEASA-N -1 0 349.427 2.577 10 0 EFAERM COCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655580101 546491119 /nfs/dbraw/zinc/49/11/19/546491119.db2.gz GQPSGDFMESPUAH-VBNZEHGJSA-N -1 0 349.427 2.577 10 0 EFAERM 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EFAERM COc1cc([N-]S(=O)(=O)c2c[nH]cn2)c(C2CC2)cc1Cl ZINC000655602609 546499557 /nfs/dbraw/zinc/49/95/57/546499557.db2.gz GOWOGERLQGCAQK-UHFFFAOYSA-N -1 0 327.793 2.750 10 0 EFAERM COc1cc([N-]S(=O)(=O)c2ccn(C)n2)c(C2CC2)cc1Cl ZINC000655603479 546500440 /nfs/dbraw/zinc/50/04/40/546500440.db2.gz YJMDLRHOYGTHQC-UHFFFAOYSA-N -1 0 341.820 2.760 10 0 EFAERM COC(C)(C)CS(=O)(=O)[N-][C@H](c1ccc(C)o1)C(F)(F)F ZINC000655660086 546518652 /nfs/dbraw/zinc/51/86/52/546518652.db2.gz KMXRTGGEQHPKOD-SNVBAGLBSA-N -1 0 329.340 2.536 10 0 EFAERM O=S(=O)([N-][C@H](C[C@@H]1CCCO1)C(F)(F)F)C1CCCCC1 ZINC000655662928 546519956 /nfs/dbraw/zinc/51/99/56/546519956.db2.gz YOWCTHOCLJMCQJ-CMPLNLGQSA-N -1 0 329.384 2.739 10 0 EFAERM COc1ccc(CCNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655856756 546611686 /nfs/dbraw/zinc/61/16/86/546611686.db2.gz PHCPDYQXUYAVFT-UHOFOFEASA-N -1 0 348.443 2.672 10 0 EFAERM Cc1ccccc1OCCNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655864231 546614355 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KFJQSQZZPAQCRH-INIZCTEOSA-N -1 0 341.411 2.905 10 0 EFAERM Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CO2 ZINC000655873275 546620100 /nfs/dbraw/zinc/62/01/00/546620100.db2.gz VVENBVUSJMRXNN-BEAPCOKYSA-N -1 0 346.427 2.863 10 0 EFAERM C[C@@H](NC(=O)N[C@@H](c1cccnc1)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655872280 546620609 /nfs/dbraw/zinc/62/06/09/546620609.db2.gz OPGIWWXFHBJUPI-MSQAHXEGSA-N -1 0 345.443 2.967 10 0 EFAERM CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000655876088 546622422 /nfs/dbraw/zinc/62/24/22/546622422.db2.gz KHGHJCGABJSDQV-GBIKHYSHSA-N -1 0 342.798 2.991 10 0 EFAERM CC(C)[C@H](CNC(=O)NCc1cccc(-c2cccnc2)c1)C(=O)[O-] ZINC000655875895 546622491 /nfs/dbraw/zinc/62/24/91/546622491.db2.gz ZXKSKKTXKGXIAH-KRWDZBQOSA-N -1 0 341.411 2.905 10 0 EFAERM Cc1cc(C)c(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cn1 ZINC000655879232 546623287 /nfs/dbraw/zinc/62/32/87/546623287.db2.gz LJYWTIVYZCIKDJ-AEGPPILISA-N -1 0 333.432 2.633 10 0 EFAERM CC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[C@@H]1CCCCO1 ZINC000655900327 546629569 /nfs/dbraw/zinc/62/95/69/546629569.db2.gz RAFOLMVADQUZOT-RMEBNNNOSA-N -1 0 340.464 2.769 10 0 EFAERM C[C@H](NC(=O)N(C)[C@H](CO)CC(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900452 546629917 /nfs/dbraw/zinc/62/99/17/546629917.db2.gz SXFOMBWPPNUONL-XDQVBPFNSA-N -1 0 342.480 2.560 10 0 EFAERM C[C@@H](NC(=O)N1CCC[C@@H](OC(F)F)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900612 546630440 /nfs/dbraw/zinc/63/04/40/546630440.db2.gz BDYPZRXCPZQXSC-WISYIIOYSA-N -1 0 348.390 2.535 10 0 EFAERM C[C@H](NC(=O)N1CCCC[C@H]1C(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655901204 546630610 /nfs/dbraw/zinc/63/06/10/546630610.db2.gz CTYOLSPIKNBDTB-YFKTTZPYSA-N -1 0 332.391 2.951 10 0 EFAERM C[C@H](NC(=O)N1CCSC(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904145 546631368 /nfs/dbraw/zinc/63/13/68/546631368.db2.gz HDYNQZNEEJDQAQ-SDDRHHMPSA-N -1 0 328.478 2.659 10 0 EFAERM C[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902856 546631553 /nfs/dbraw/zinc/63/15/53/546631553.db2.gz VJNIBAGTCOUHOV-GBKKJOKQSA-N -1 0 342.439 2.759 10 0 EFAERM C[C@@H](NC(=O)N1CCO[C@H](C(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903630 546631681 /nfs/dbraw/zinc/63/16/81/546631681.db2.gz NEYCEKFKQUJBRA-RQJABVFESA-N -1 0 340.464 2.578 10 0 EFAERM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C1CCC(F)(F)CC1 ZINC000655906657 546632628 /nfs/dbraw/zinc/63/26/28/546632628.db2.gz FTMALPITYVXWTC-MDZLAQPJSA-N -1 0 332.391 2.953 10 0 EFAERM COc1cccc(CN(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655908312 546632714 /nfs/dbraw/zinc/63/27/14/546632714.db2.gz PINKRXPUALWMOA-UHOFOFEASA-N -1 0 348.443 2.972 10 0 EFAERM CCCc1cc(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)n2ncnc2n1 ZINC000656093042 546676690 /nfs/dbraw/zinc/67/66/90/546676690.db2.gz SIDKXXMZWRPWNH-KGYLQXTDSA-N -1 0 331.420 2.624 10 0 EFAERM Cc1ccc2cccnc2c1S(=O)(=O)N1CCC[C@H]1CCC(=O)[O-] ZINC000656162448 546704329 /nfs/dbraw/zinc/70/43/29/546704329.db2.gz SAOZEOSGTRHBTD-AWEZNQCLSA-N -1 0 348.424 2.561 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[C@@H](C)C(=O)[O-])c(C)c1 ZINC000656168847 546706063 /nfs/dbraw/zinc/70/60/63/546706063.db2.gz JMDYSLRIVBIMEC-CABCVRRESA-N -1 0 339.457 2.957 10 0 EFAERM C[C@H](C[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1F)C(=O)[O-] ZINC000656169496 546707131 /nfs/dbraw/zinc/70/71/31/546707131.db2.gz LYPMHFFEDHLAND-OCCSQVGLSA-N -1 0 343.420 2.621 10 0 EFAERM Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1C[C@H](C)C(=O)[O-] ZINC000656168895 546707227 /nfs/dbraw/zinc/70/72/27/546707227.db2.gz KCUHMYWJJFTYEK-JSGCOSHPSA-N -1 0 343.420 2.788 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[C@@H](C)C(=O)[O-])cc1F ZINC000656171830 546707430 /nfs/dbraw/zinc/70/74/30/546707430.db2.gz ZFQMQCFDRYYGAG-OLZOCXBDSA-N -1 0 343.420 2.788 10 0 EFAERM Cc1ccccc1CS(=O)(=O)N1CCCC[C@H]1C[C@@H](C)C(=O)[O-] ZINC000656173192 546708286 /nfs/dbraw/zinc/70/82/86/546708286.db2.gz GLAHXNPKNLALJH-ZBFHGGJFSA-N -1 0 339.457 2.790 10 0 EFAERM C[C@@H](C[C@@H]1CCCCN1S(=O)(=O)CCC1CCCC1)C(=O)[O-] ZINC000656173356 546708500 /nfs/dbraw/zinc/70/85/00/546708500.db2.gz IKYMQOGEOHBHOC-ZFWWWQNUSA-N -1 0 331.478 2.862 10 0 EFAERM C[C@H](C[C@H]1CCCCN1S(=O)(=O)CCc1cccs1)C(=O)[O-] ZINC000656173883 546708816 /nfs/dbraw/zinc/70/88/16/546708816.db2.gz MZWAVUDNUVRLMS-CHWSQXEVSA-N -1 0 345.486 2.586 10 0 EFAERM Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@@H]1C[C@H](C)C(=O)[O-] ZINC000656173893 546708873 /nfs/dbraw/zinc/70/88/73/546708873.db2.gz NHTYMELABLBMFE-WCQYABFASA-N -1 0 343.420 2.788 10 0 EFAERM Cc1csc(S(=O)(=O)N2CCCC[C@H]2C[C@@H](C)C(=O)[O-])c1 ZINC000656174331 546709041 /nfs/dbraw/zinc/70/90/41/546709041.db2.gz RAJVXOYYNICONE-NEPJUHHUSA-N -1 0 331.459 2.711 10 0 EFAERM Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2C[C@@H](C)C(=O)[O-])c1F ZINC000656174364 546709174 /nfs/dbraw/zinc/70/91/74/546709174.db2.gz RHGPWUQFJLGISB-CHWSQXEVSA-N -1 0 343.420 2.788 10 0 EFAERM Cc1ccsc1S(=O)(=O)N1CCCC[C@@H]1C[C@@H](C)C(=O)[O-] ZINC000656174938 546709616 /nfs/dbraw/zinc/70/96/16/546709616.db2.gz ZOKNIHIHZVVYMY-VXGBXAGGSA-N -1 0 331.459 2.711 10 0 EFAERM Cc1cc(S(=O)(=O)[N-]c2cncc(OC(C)C)n2)ccc1F ZINC000656187220 546714201 /nfs/dbraw/zinc/71/42/01/546714201.db2.gz PDWJTYMMTUMYQX-UHFFFAOYSA-N -1 0 325.365 2.512 10 0 EFAERM COc1ccc(CNC(=O)C[C@@H]2OCc3ccccc32)cc1C(=O)[O-] ZINC000656232002 546733103 /nfs/dbraw/zinc/73/31/03/546733103.db2.gz JUWBQQNQSJRNEC-KRWDZBQOSA-N -1 0 341.363 2.671 10 0 EFAERM C[C@](NC(=O)C[C@@H]1OCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000656233498 546734176 /nfs/dbraw/zinc/73/41/76/546734176.db2.gz DHRPSNPSXKPXFK-QFBILLFUSA-N -1 0 325.364 2.764 10 0 EFAERM Cc1cccc(C[C@@H](CNC(=O)c2ccn(C(C)(C)C)n2)C(=O)[O-])c1 ZINC000656235315 546735178 /nfs/dbraw/zinc/73/51/78/546735178.db2.gz HKVJCHZJBWULNW-HNNXBMFYSA-N -1 0 343.427 2.620 10 0 EFAERM COc1ccc([C@H](NC(=O)C[C@@H]2OCc3ccccc32)C(=O)[O-])cc1 ZINC000656236503 546735914 /nfs/dbraw/zinc/73/59/14/546735914.db2.gz RCNHZCZMWUNHBI-WMZOPIPTSA-N -1 0 341.363 2.599 10 0 EFAERM COc1ccc([C@@H](NC(=O)C[C@H]2OCc3ccccc32)C(=O)[O-])cc1 ZINC000656236502 546736146 /nfs/dbraw/zinc/73/61/46/546736146.db2.gz RCNHZCZMWUNHBI-SJLPKXTDSA-N -1 0 341.363 2.599 10 0 EFAERM CO[C@H](C(=O)N[C@H](C)CCC(=O)[O-])c1ccccc1Br ZINC000656237187 546736781 /nfs/dbraw/zinc/73/67/81/546736781.db2.gz KUOLBPUYQMZLIU-RNCFNFMXSA-N -1 0 344.205 2.506 10 0 EFAERM Cc1nc([C@H](C)NC(=O)c2ccc(C(F)F)nc2)sc1C(=O)[O-] ZINC000656239123 546737928 /nfs/dbraw/zinc/73/79/28/546737928.db2.gz VUDRAYLDOFMDME-ZETCQYMHSA-N -1 0 341.339 2.973 10 0 EFAERM Cc1ccccc1-n1ncc(C(=O)NCC2(C(=O)[O-])CC2)c1C(F)F ZINC000656241256 546739458 /nfs/dbraw/zinc/73/94/58/546739458.db2.gz KGNKGDMPLCSCDM-UHFFFAOYSA-N -1 0 349.337 2.713 10 0 EFAERM CC(C)(C)n1ccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)n1 ZINC000656244727 546741426 /nfs/dbraw/zinc/74/14/26/546741426.db2.gz PORQJGSPOABJGQ-UHFFFAOYSA-N -1 0 342.399 2.539 10 0 EFAERM CC[C@@H](C)C[C@H](NC(=O)c1ccc(OCC(F)(F)F)o1)C(=O)[O-] ZINC000656244836 546741615 /nfs/dbraw/zinc/74/16/15/546741615.db2.gz SFWSVJRUWPVYSY-BDAKNGLRSA-N -1 0 337.294 2.840 10 0 EFAERM COc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)c(C2CC2)cc1Cl ZINC000656248805 546743358 /nfs/dbraw/zinc/74/33/58/546743358.db2.gz IZBVOYQUIRMYSR-CHWSQXEVSA-N -1 0 339.775 2.797 10 0 EFAERM O=C([O-])C1CCC(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)CC1 ZINC000656248648 546743364 /nfs/dbraw/zinc/74/33/64/546743364.db2.gz GRUOMGJXISLDPZ-GPANFISMSA-N -1 0 342.395 2.966 10 0 EFAERM CC(C)(C)n1ccc(C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000656249894 546744462 /nfs/dbraw/zinc/74/44/62/546744462.db2.gz AMXCXSJGZWHLDV-CQSZACIVSA-N -1 0 349.818 2.717 10 0 EFAERM Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000656250788 546745593 /nfs/dbraw/zinc/74/55/93/546745593.db2.gz KJMKUBFZXNIDBF-GOSISDBHSA-N -1 0 328.368 2.576 10 0 EFAERM Cc1cccc([C@H](NC(=O)c2ccn(C(C)(C)C)n2)C(=O)[O-])c1C ZINC000656250824 546745802 /nfs/dbraw/zinc/74/58/02/546745802.db2.gz LGVGDRWIDKGUHL-HNNXBMFYSA-N -1 0 329.400 2.811 10 0 EFAERM C[C@](NC(=O)C[C@H]1OCc2ccccc21)(C(=O)[O-])c1ccc(F)cc1 ZINC000656250879 546746107 /nfs/dbraw/zinc/74/61/07/546746107.db2.gz MMNODMXBWAMCMT-VQIMIIECSA-N -1 0 343.354 2.903 10 0 EFAERM COc1cc(OC)c(NC(=O)N[C@](C)(CCF)C(=O)[O-])cc1Cl ZINC000656474741 546812141 /nfs/dbraw/zinc/81/21/41/546812141.db2.gz IAOKCIBODZFPIG-CQSZACIVSA-N -1 0 348.758 2.682 10 0 EFAERM O=C([O-])[C@@]1(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CCOC1 ZINC000656476849 546813362 /nfs/dbraw/zinc/81/33/62/546813362.db2.gz DTWIIUJMUKNCNE-NVXWUHKLSA-N -1 0 337.803 2.789 10 0 EFAERM O=C([O-])C12CC(C1)CN2C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000656475350 546813688 /nfs/dbraw/zinc/81/36/88/546813688.db2.gz SEPMPZXKQRUWGY-UHFFFAOYSA-N -1 0 330.262 2.666 10 0 EFAERM C[C@@](CCF)(NC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000656475313 546813694 /nfs/dbraw/zinc/81/36/94/546813694.db2.gz RJIXGGUFKJGZRL-LBPRGKRZSA-N -1 0 333.157 2.774 10 0 EFAERM CC(C)Oc1c(F)cc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)cc1F ZINC000656478455 546813802 /nfs/dbraw/zinc/81/38/02/546813802.db2.gz BHBDPMQRZJZXKT-MRXNPFEDSA-N -1 0 343.326 2.572 10 0 EFAERM Cc1nc(-c2cccc(NC(=O)C[C@]3(C(=O)[O-])CCOC3)c2)cs1 ZINC000656478934 546814622 /nfs/dbraw/zinc/81/46/22/546814622.db2.gz VIWKJHLRZXRSFP-QGZVFWFLSA-N -1 0 346.408 2.938 10 0 EFAERM O=C([O-])[C@]1(CC(=O)Nc2ccc(OC3CCC3)c(F)c2)CCOC1 ZINC000656479287 546814740 /nfs/dbraw/zinc/81/47/40/546814740.db2.gz HAJUAHXTVRIUIX-KRWDZBQOSA-N -1 0 337.347 2.577 10 0 EFAERM CC(C)CCOc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000656479767 546814767 /nfs/dbraw/zinc/81/47/67/546814767.db2.gz JNPUJCDUCDLZCY-GOSISDBHSA-N -1 0 335.400 2.931 10 0 EFAERM Cc1nc(-c2cccc(NC(=O)C[C@@]3(C(=O)[O-])CCOC3)c2)cs1 ZINC000656478932 546814909 /nfs/dbraw/zinc/81/49/09/546814909.db2.gz VIWKJHLRZXRSFP-KRWDZBQOSA-N -1 0 346.408 2.938 10 0 EFAERM O=C([O-])[C@]1(CC(=O)Nc2cccc(CC(F)(F)F)c2)CCOC1 ZINC000656480565 546815161 /nfs/dbraw/zinc/81/51/61/546815161.db2.gz OBZLKBQLANUDDL-AWEZNQCLSA-N -1 0 331.290 2.611 10 0 EFAERM C[C@H](NC(=O)C[C@@]1(C(=O)[O-])CCOC1)c1c(F)cccc1Cl ZINC000656480572 546815289 /nfs/dbraw/zinc/81/52/89/546815289.db2.gz ODWXTNPAAYVTFA-VFZGTOFNSA-N -1 0 329.755 2.538 10 0 EFAERM COc1cc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)ccc1C(F)(F)F ZINC000656481216 546815343 /nfs/dbraw/zinc/81/53/43/546815343.db2.gz DBODUOPZBGNMQZ-AWEZNQCLSA-N -1 0 347.289 2.534 10 0 EFAERM CC1(C)CC[C@@H](CNC(=O)C[C@@]2(C(=O)[O-])CCOC2)c2ccccc21 ZINC000656482125 546815410 /nfs/dbraw/zinc/81/54/10/546815410.db2.gz YELUZWMTKBQOCL-XOBRGWDASA-N -1 0 345.439 2.839 10 0 EFAERM CC1(C)CC[C@H](CNC(=O)C[C@@]2(C(=O)[O-])CCOC2)c2ccccc21 ZINC000656482124 546815464 /nfs/dbraw/zinc/81/54/64/546815464.db2.gz YELUZWMTKBQOCL-VLIAUNLRSA-N -1 0 345.439 2.839 10 0 EFAERM CSc1ccc(Cl)cc1NC(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000656482200 546815535 /nfs/dbraw/zinc/81/55/35/546815535.db2.gz WMJNXTIMOZRCBK-CQSZACIVSA-N -1 0 329.805 2.882 10 0 EFAERM C[C@@H](NC(=O)C[C@]1(C(=O)[O-])CCOC1)c1cc2ccccc2s1 ZINC000656480839 546815581 /nfs/dbraw/zinc/81/55/81/546815581.db2.gz LHSREOXQGDYMHV-PIGZYNQJSA-N -1 0 333.409 2.960 10 0 EFAERM CCCOc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)cc1Cl ZINC000656482409 546816078 /nfs/dbraw/zinc/81/60/78/546816078.db2.gz ZWWLERCNVXOWDV-INIZCTEOSA-N -1 0 341.791 2.949 10 0 EFAERM Cc1cc(Br)cc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000656482660 546816138 /nfs/dbraw/zinc/81/61/38/546816138.db2.gz LRPJQVYTNUFZCG-AWEZNQCLSA-N -1 0 342.189 2.577 10 0 EFAERM COCCCC[C@@H](NC(=O)C[C@@]1(C(=O)[O-])CCOC1)c1ccccc1 ZINC000656483388 546816224 /nfs/dbraw/zinc/81/62/24/546816224.db2.gz XJJLFZSFOYNICX-APWZRJJASA-N -1 0 349.427 2.542 10 0 EFAERM Cc1ccc(-c2ccncc2)cc1NC(=O)C[C@@]1(C(=O)[O-])CCOC1 ZINC000656482219 546816442 /nfs/dbraw/zinc/81/64/42/546816442.db2.gz XCERINQOGSFJCB-IBGZPJMESA-N -1 0 340.379 2.877 10 0 EFAERM O=C([O-])[C@H](CC(=O)Nc1ccc2c(c1)CCOC2)c1ccccc1 ZINC000656485045 546816485 /nfs/dbraw/zinc/81/64/85/546816485.db2.gz JIODEILWQUHSFZ-QGZVFWFLSA-N -1 0 325.364 2.956 10 0 EFAERM CSc1cc(Cl)ccc1NC(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000656484067 546816499 /nfs/dbraw/zinc/81/64/99/546816499.db2.gz KEGTUHGBBHZGKD-CQSZACIVSA-N -1 0 329.805 2.882 10 0 EFAERM O=C([O-])C1(CC(=O)NCCc2noc3ccccc23)CCCCC1 ZINC000656485305 546816996 /nfs/dbraw/zinc/81/69/96/546816996.db2.gz ZWSLOJOGNFYVSP-UHFFFAOYSA-N -1 0 330.384 2.912 10 0 EFAERM O=C([O-])[C@@]1(CC(=O)NCC(F)(F)c2cccc(F)c2)CCSC1 ZINC000656486341 546817178 /nfs/dbraw/zinc/81/71/78/546817178.db2.gz JDBXEMMJZMKCED-CQSZACIVSA-N -1 0 347.358 2.632 10 0 EFAERM Cn1ncc(C2CCC2)c1CNC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000656485500 546817197 /nfs/dbraw/zinc/81/71/97/546817197.db2.gz NJWANFLTSDYIMA-OAHLLOKOSA-N -1 0 341.411 2.562 10 0 EFAERM C[C@](CC(=O)NCC[C@]1(C)CC1(F)F)(C(=O)[O-])c1ccccc1 ZINC000656485638 546817255 /nfs/dbraw/zinc/81/72/55/546817255.db2.gz GXGMKDDVHAGGDC-HZPDHXFCSA-N -1 0 325.355 2.971 10 0 EFAERM Cc1cncc(CCNC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)n1 ZINC000656485594 546817379 /nfs/dbraw/zinc/81/73/79/546817379.db2.gz PFXMTARVQCHCJZ-GOSISDBHSA-N -1 0 333.432 2.505 10 0 EFAERM CCCC[C@@H](NC(=O)c1cccc(C(=O)c2ccco2)c1)C(=O)[O-] ZINC000656491811 546819071 /nfs/dbraw/zinc/81/90/71/546819071.db2.gz QFDFJORCKZYSLW-CQSZACIVSA-N -1 0 329.352 2.884 10 0 EFAERM Cc1ccc(NC(=O)N[C@@](C)(CCF)C(=O)[O-])cc1-c1ncco1 ZINC000656505432 546822779 /nfs/dbraw/zinc/82/27/79/546822779.db2.gz FKOBCJFDEKANJM-INIZCTEOSA-N -1 0 335.335 2.974 10 0 EFAERM Cc1ccc(NC(=O)N[C@@](C)(CCF)C(=O)[O-])cc1OCC(F)F ZINC000656505789 546822821 /nfs/dbraw/zinc/82/28/21/546822821.db2.gz ONUZPTYZYOSULZ-HNNXBMFYSA-N -1 0 348.321 2.963 10 0 EFAERM Cc1ccc(NC(=O)N[C@@](C)(CCF)C(=O)[O-])cc1OC(F)F ZINC000656505766 546822977 /nfs/dbraw/zinc/82/29/77/546822977.db2.gz OKAXJPPNEIOQPU-AWEZNQCLSA-N -1 0 334.294 2.921 10 0 EFAERM O=C([O-])C12CC(C1)CN2C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000656505408 546823434 /nfs/dbraw/zinc/82/34/34/546823434.db2.gz DPDPNLLHAFJKJG-UHFFFAOYSA-N -1 0 327.340 2.786 10 0 EFAERM C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H](C)CCCCC(=O)[O-] ZINC000656509959 546825367 /nfs/dbraw/zinc/82/53/67/546825367.db2.gz AGRPRXMIBUBQTR-ZJUUUORDSA-N -1 0 333.372 2.528 10 0 EFAERM C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000656512314 546825790 /nfs/dbraw/zinc/82/57/90/546825790.db2.gz IFXJCJVPIJWZGR-CKYFFXLPSA-N -1 0 345.383 2.528 10 0 EFAERM C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000656512350 546825899 /nfs/dbraw/zinc/82/58/99/546825899.db2.gz JABXFOBMSUNIIR-ZJUUUORDSA-N -1 0 347.399 2.774 10 0 EFAERM C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C[C@H]1CC(=O)[O-] ZINC000656521528 546827359 /nfs/dbraw/zinc/82/73/59/546827359.db2.gz NAVLSRUVYSEEKK-NXEZZACHSA-N -1 0 349.811 2.601 10 0 EFAERM C[C@H]1CCN(S(=O)(=O)Cc2ccccc2Cl)C[C@@H]1CC(=O)[O-] ZINC000656521764 546827442 /nfs/dbraw/zinc/82/74/42/546827442.db2.gz RKPJJZPRORJJMN-AAEUAGOBSA-N -1 0 345.848 2.603 10 0 EFAERM CCN(C)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000656520478 546827592 /nfs/dbraw/zinc/82/75/92/546827592.db2.gz ODIUEWWLEPCUKK-GFCCVEGCSA-N -1 0 332.322 2.753 10 0 EFAERM Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](CC(=O)[O-])C2)ccc1Cl ZINC000656521454 546827896 /nfs/dbraw/zinc/82/78/96/546827896.db2.gz LPEJMSSSEULJHZ-ZYHUDNBSSA-N -1 0 345.848 2.770 10 0 EFAERM C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C[C@@H]1CC(=O)[O-] ZINC000656522905 546828232 /nfs/dbraw/zinc/82/82/32/546828232.db2.gz IMOYUEOHVBADHU-ZJUUUORDSA-N -1 0 349.811 2.601 10 0 EFAERM C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)F)cc2)C[C@H]1CC(=O)[O-] ZINC000656522433 546828443 /nfs/dbraw/zinc/82/84/43/546828443.db2.gz ZXBAOZUFFLJJSZ-ZYHUDNBSSA-N -1 0 347.383 2.746 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](CC(=O)[O-])C2)cc1Cl ZINC000656522911 546828518 /nfs/dbraw/zinc/82/85/18/546828518.db2.gz INEVNQYLOZGZCO-CMPLNLGQSA-N -1 0 345.848 2.770 10 0 EFAERM Cc1cccc(S(=O)(=O)N2CC[C@@H](C)[C@H](CC(=O)[O-])C2)c1Cl ZINC000656523178 546828714 /nfs/dbraw/zinc/82/87/14/546828714.db2.gz JXPVIXIULKVHGI-ZYHUDNBSSA-N -1 0 345.848 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GRNACLKTFCNYPU-QGZVFWFLSA-N -1 0 332.404 2.512 10 0 EFAERM CCCCCC[C@@](C)(NC(=O)c1[nH]ncc1C(F)(F)F)C(=O)[O-] ZINC000909432179 723171341 /nfs/dbraw/zinc/17/13/41/723171341.db2.gz TZFKLWZMQWENGT-CYBMUJFWSA-N -1 0 335.326 2.972 10 0 EFAERM CCCCCC[C@](C)(NC(=O)c1ccnn1CC(F)(F)F)C(=O)[O-] ZINC000909434837 723179961 /nfs/dbraw/zinc/17/99/61/723179961.db2.gz XIYUKUKRPURQKB-AWEZNQCLSA-N -1 0 349.353 2.989 10 0 EFAERM CC(C)(C)OCC[C@@H](NC(=O)CSc1ccccc1)C(=O)[O-] ZINC000262106604 723193778 /nfs/dbraw/zinc/19/37/78/723193778.db2.gz FAFHVACJCRHODC-CYBMUJFWSA-N -1 0 325.430 2.553 10 0 EFAERM CC(C)(C)OCC[C@H](NC(=O)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262262397 723226654 /nfs/dbraw/zinc/22/66/54/723226654.db2.gz WXNWFETUEQJTLS-CVEARBPZSA-N -1 0 333.428 2.881 10 0 EFAERM COCc1cccc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)c1 ZINC000237224423 723303215 /nfs/dbraw/zinc/30/32/15/723303215.db2.gz CFGPNRPJYHUBSD-JTQLQIEISA-N -1 0 334.397 2.787 10 0 EFAERM C[C@H](CCNC(=O)c1ccc(F)cc1[O-])NC(=O)OC(C)(C)C ZINC000179002960 723317782 /nfs/dbraw/zinc/31/77/82/723317782.db2.gz UXILGHGHFKYFIU-SNVBAGLBSA-N -1 0 326.368 2.564 10 0 EFAERM C[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000909447883 723330779 /nfs/dbraw/zinc/33/07/79/723330779.db2.gz CDNROLNBSOPQDW-CJNGLKHVSA-N -1 0 336.407 2.550 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000909447882 723330928 /nfs/dbraw/zinc/33/09/28/723330928.db2.gz CDNROLNBSOPQDW-BBRMVZONSA-N -1 0 336.407 2.550 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000909447885 723330966 /nfs/dbraw/zinc/33/09/66/723330966.db2.gz CDNROLNBSOPQDW-XJKSGUPXSA-N -1 0 336.407 2.550 10 0 EFAERM CCCO[C@@H](C(=O)N[C@H](C)CCC(=O)[O-])c1ccc(F)cc1C ZINC000909449024 723336997 /nfs/dbraw/zinc/33/69/97/723336997.db2.gz QWXIRFSUDXJIPJ-MLGOLLRUSA-N -1 0 325.380 2.971 10 0 EFAERM C[C@H](CCC(=O)[O-])NC(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC000909450341 723372186 /nfs/dbraw/zinc/37/21/86/723372186.db2.gz PEUQFXKVDQYWRI-CQSZACIVSA-N -1 0 342.395 2.573 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000909450179 723373116 /nfs/dbraw/zinc/37/31/16/723373116.db2.gz VQGRRDJKHACHDZ-DZGCQCFKSA-N -1 0 347.459 2.863 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000909451684 723385613 /nfs/dbraw/zinc/38/56/13/723385613.db2.gz UUGPIAAMGAGOGY-UFBFGSQYSA-N -1 0 334.199 2.786 10 0 EFAERM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@]13CCO[C@H]1CCCC3)CC2 ZINC000909451261 723389339 /nfs/dbraw/zinc/38/93/39/723389339.db2.gz QKYQKGMUISAPPT-LPHOPBHVSA-N -1 0 329.396 2.619 10 0 EFAERM CC[C@](NC(=O)[C@H]1CC[C@@H](C)O1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262144811 723391086 /nfs/dbraw/zinc/39/10/86/723391086.db2.gz OWUDGUVBOYZLOW-CKUKBARFSA-N -1 0 325.792 2.714 10 0 EFAERM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000262144747 723391312 /nfs/dbraw/zinc/39/13/12/723391312.db2.gz OVTVHZFRGDJOAW-AMXGMDGSSA-N -1 0 337.244 2.795 10 0 EFAERM C[C@@H](CN(C(=O)C[C@H]1CCc2sccc2C1=O)C1CC1)C(=O)[O-] ZINC000909453612 723396069 /nfs/dbraw/zinc/39/60/69/723396069.db2.gz GPRKFPHOHGVCAG-WDEREUQCSA-N -1 0 335.425 2.595 10 0 EFAERM COc1cccc2c1[C@H](C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])CC2 ZINC000909535067 723441029 /nfs/dbraw/zinc/44/10/29/723441029.db2.gz WGBALVSXXBVUQZ-TYILLQQXSA-N -1 0 331.412 2.875 10 0 EFAERM CCC(F)(F)CNS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000918025593 728822088 /nfs/dbraw/zinc/82/20/88/728822088.db2.gz MWWKWEVTFAPRDC-UHFFFAOYSA-N -1 0 349.277 2.614 10 0 EFAERM C[C@]1(C(=O)Nc2ccc(OCC(=O)[O-])cc2)OCCc2ccccc21 ZINC000909490485 723509713 /nfs/dbraw/zinc/50/97/13/723509713.db2.gz CLBZJZVLTMORTA-IBGZPJMESA-N -1 0 341.363 2.577 10 0 EFAERM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ocnc2C(F)(F)F)C1 ZINC000909492441 723517550 /nfs/dbraw/zinc/51/75/50/723517550.db2.gz UXMGTDOUJXQPPR-MRVPVSSYSA-N -1 0 334.294 2.656 10 0 EFAERM COc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc(Cl)c1O ZINC000909493530 723520524 /nfs/dbraw/zinc/52/05/24/723520524.db2.gz DIWZDDRWOABCGI-JTQLQIEISA-N -1 0 327.764 2.524 10 0 EFAERM O=C([O-])[C@@H](NC(=O)CCCc1ccc(C2CC2)cc1)[C@H]1CCCOC1 ZINC000909536543 723523640 /nfs/dbraw/zinc/52/36/40/723523640.db2.gz FWPWKIWEZATJNW-HKUYNNGSSA-N -1 0 345.439 2.883 10 0 EFAERM CCN(CCc1nccs1)C(=O)c1ccccc1CCC(=O)[O-] ZINC000909552001 723595166 /nfs/dbraw/zinc/59/51/66/723595166.db2.gz LRSKUZDIROENSZ-UHFFFAOYSA-N -1 0 332.425 2.865 10 0 EFAERM CCC1(CC)[C@H](N(C)C(=O)c2csc(C(=O)[O-])n2)C[C@@H]1OC ZINC000909558214 723815558 /nfs/dbraw/zinc/81/55/58/723815558.db2.gz FQNAKMCQVAWNOI-MNOVXSKESA-N -1 0 326.418 2.507 10 0 EFAERM CCc1ccc(CC(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)nc1 ZINC000909502016 723826949 /nfs/dbraw/zinc/82/69/49/723826949.db2.gz BDXCKAKMUPCTMT-JTQLQIEISA-N -1 0 333.413 2.527 10 0 EFAERM CC[C@@H]1C[C@H](C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)CCO1 ZINC000909502400 723830155 /nfs/dbraw/zinc/83/01/55/723830155.db2.gz DMGSBFLPCSXTKP-GMTAPVOTSA-N -1 0 326.418 2.532 10 0 EFAERM C/C(=C\c1ccc(F)cc1)C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000181305939 728849047 /nfs/dbraw/zinc/84/90/47/728849047.db2.gz AQJXQVJCAFNOIW-CSKARUKUSA-N -1 0 337.372 2.944 10 0 EFAERM O=C([O-])[C@]12CN(C(=O)c3cccc(C4CCC4)c3)C[C@H]1COCC2 ZINC000909564234 723852183 /nfs/dbraw/zinc/85/21/83/723852183.db2.gz BIVDCFKTPJBXMY-QFBILLFUSA-N -1 0 329.396 2.517 10 0 EFAERM Cc1nc([C@H](C)NC(=O)C2Cc3ccccc3C2)sc1C(=O)[O-] ZINC000909504385 723854999 /nfs/dbraw/zinc/85/49/99/723854999.db2.gz SJPQKSSTYHGYGT-JTQLQIEISA-N -1 0 330.409 2.742 10 0 EFAERM Cc1ncsc1CCC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909504459 723858827 /nfs/dbraw/zinc/85/88/27/723858827.db2.gz UMIUILVWRWDKHG-SECBINFHSA-N -1 0 339.442 2.725 10 0 EFAERM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(C)ccc2F)c(C)s1 ZINC000727234882 723869875 /nfs/dbraw/zinc/86/98/75/723869875.db2.gz KFTABVBFJCDZII-UHFFFAOYSA-N -1 0 327.402 2.931 10 0 EFAERM CC[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)CCO1 ZINC000909505504 723873143 /nfs/dbraw/zinc/87/31/43/723873143.db2.gz ZBWWLWSOZIQLOC-QJPTWQEYSA-N -1 0 340.445 2.922 10 0 EFAERM O=C([O-])[C@]12CN(C(=O)c3ccc(-c4ccccc4)o3)C[C@H]1COCC2 ZINC000909569050 723885318 /nfs/dbraw/zinc/88/53/18/723885318.db2.gz YZYZEKZOHJQJEP-IFXJQAMLSA-N -1 0 341.363 2.510 10 0 EFAERM CC1(C(=O)NCc2cccc(-n3ccc(C(=O)[O-])n3)c2)CC=CC1 ZINC000909570008 723900645 /nfs/dbraw/zinc/90/06/45/723900645.db2.gz IFDKNWICQJZYSU-UHFFFAOYSA-N -1 0 325.368 2.543 10 0 EFAERM Cc1nsc(C)c1C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909509936 723924901 /nfs/dbraw/zinc/92/49/01/723924901.db2.gz ZRWCKCPUIILGSY-SSDOTTSWSA-N -1 0 325.415 2.714 10 0 EFAERM CO[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909509931 723926787 /nfs/dbraw/zinc/92/67/87/723926787.db2.gz ZLKDRLSRAWNIMV-HBNTYKKESA-N -1 0 326.418 2.532 10 0 EFAERM CO[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909509930 723926796 /nfs/dbraw/zinc/92/67/96/723926796.db2.gz ZLKDRLSRAWNIMV-GMTAPVOTSA-N -1 0 326.418 2.532 10 0 EFAERM O=S(=O)(/C=C\c1ccc(Br)cc1)[N-]c1cnoc1 ZINC000727359518 723949723 /nfs/dbraw/zinc/94/97/23/723949723.db2.gz QCTBXTOXXPEDDY-WAYWQWQTSA-N -1 0 329.175 2.850 10 0 EFAERM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1ccc2ccccc21 ZINC000262436068 723959809 /nfs/dbraw/zinc/95/98/09/723959809.db2.gz NEBTWZCTFDRTOM-OIISXLGYSA-N -1 0 326.396 2.886 10 0 EFAERM Cc1nc([C@H](C)NC(=O)[C@@H]2OCCc3ccccc32)sc1C(=O)[O-] ZINC000237469931 724102940 /nfs/dbraw/zinc/10/29/40/724102940.db2.gz DMPQXLZCTJHGLI-GXFFZTMASA-N -1 0 346.408 2.641 10 0 EFAERM C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000079201341 724106042 /nfs/dbraw/zinc/10/60/42/724106042.db2.gz CTFIYVNELGUOGD-LLVKDONJSA-N -1 0 349.368 2.514 10 0 EFAERM CC(C)(C)OCC[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000262232037 724129537 /nfs/dbraw/zinc/12/95/37/724129537.db2.gz WWRQOBGJHQZBAP-LBPRGKRZSA-N -1 0 331.771 2.867 10 0 EFAERM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262234816 724150911 /nfs/dbraw/zinc/15/09/11/724150911.db2.gz SUDFDEHNAKPTCX-UPJWGTAASA-N -1 0 339.457 2.935 10 0 EFAERM COc1cccc2c1[C@@H](C(=O)N1C[C@H](C(=O)[O-])c3ccccc31)CC2 ZINC000909579803 724166070 /nfs/dbraw/zinc/16/60/70/724166070.db2.gz VXAWQUWYALNCLH-GJZGRUSLSA-N -1 0 337.375 2.940 10 0 EFAERM O=C([O-])c1cccc(CC(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000262237976 724204846 /nfs/dbraw/zinc/20/48/46/724204846.db2.gz XQHNHNHWTRCQCN-QGZVFWFLSA-N -1 0 331.412 2.878 10 0 EFAERM COc1ccccc1/C(C)=C/C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000727625519 724254098 /nfs/dbraw/zinc/25/40/98/724254098.db2.gz BFZZUGOQMBSTFG-WYMLVPIESA-N -1 0 345.420 2.912 10 0 EFAERM CC[C@@H]1OCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000909527283 724276478 /nfs/dbraw/zinc/27/64/78/724276478.db2.gz YIVKAFAHSONAHV-IKGGRYGDSA-N -1 0 327.380 2.897 10 0 EFAERM O=C([O-])[C@]1(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)CCSC1 ZINC000262239242 724284300 /nfs/dbraw/zinc/28/43/00/724284300.db2.gz WIOHJEMHELDYCS-AWEZNQCLSA-N -1 0 342.779 2.651 10 0 EFAERM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)c1 ZINC000897311752 724372444 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10 0 EFAERM CCC[C@@H](CNC(=O)c1noc2c1CCc1ccccc1-2)C(=O)[O-] ZINC000909808600 727381989 /nfs/dbraw/zinc/38/19/89/727381989.db2.gz KBWYNCOUBBNHLT-LBPRGKRZSA-N -1 0 328.368 2.671 10 0 EFAERM CCC[C@H](CNC(=O)c1ccc2c(c1)nc(C(F)F)n2C)C(=O)[O-] ZINC000909810234 727382371 /nfs/dbraw/zinc/38/23/71/727382371.db2.gz WDLOMWJPGGOKMW-SNVBAGLBSA-N -1 0 339.342 2.742 10 0 EFAERM CCC[C@H](CNC(=O)c1sc([C@H]2CCCOC2)nc1C)C(=O)[O-] ZINC000909813633 727382661 /nfs/dbraw/zinc/38/26/61/727382661.db2.gz LMBGJFYFPXRZHN-NEPJUHHUSA-N -1 0 340.445 2.576 10 0 EFAERM Cc1nc(C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)[O-])sc1C ZINC000909814281 727382790 /nfs/dbraw/zinc/38/27/90/727382790.db2.gz NFAWDVLLKLMNDX-GFCCVEGCSA-N -1 0 338.816 2.839 10 0 EFAERM CC[C@@H]1C[C@@H](C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])CCO1 ZINC000909814686 727382829 /nfs/dbraw/zinc/38/28/29/727382829.db2.gz AADNVNIYBOPRHG-CFVMTHIKSA-N -1 0 339.819 2.657 10 0 EFAERM CC(C)(C)C[C@@H](O)CC(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000909814700 727382939 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Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000263233336 525665031 /nfs/dbraw/zinc/66/50/31/525665031.db2.gz SHMSXIZFWDFETE-NSHDSACASA-N -1 0 347.440 2.918 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)CCc2ccsc2)CC1 ZINC000263206266 525665402 /nfs/dbraw/zinc/66/54/02/525665402.db2.gz OJVQFKNJBWBYNB-UHFFFAOYSA-N -1 0 347.440 2.748 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)c2cc(C)ccc2F)CC1 ZINC000263239356 525666081 /nfs/dbraw/zinc/66/60/81/525666081.db2.gz TWZWMDGXCPSIQY-UHFFFAOYSA-N -1 0 345.374 2.815 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)c2cccc(F)c2C)CC1 ZINC000263194524 525668042 /nfs/dbraw/zinc/66/80/42/525668042.db2.gz LRAVGGJWKDVWJO-UHFFFAOYSA-N -1 0 345.374 2.815 10 0 EFAERM Cc1c(Cl)c(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])nn1C ZINC000263153510 525740692 /nfs/dbraw/zinc/74/06/92/525740692.db2.gz HSPHKWKPGGUDHH-MNOVXSKESA-N -1 0 327.812 2.535 10 0 EFAERM C[C@@](NC(=O)[C@H]1CCc2ccccc21)(C(=O)[O-])c1ccc(F)cc1 ZINC000263263549 525755668 /nfs/dbraw/zinc/75/56/68/525755668.db2.gz 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Cc1ccc(S([O-])=CC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000107944801 526088835 /nfs/dbraw/zinc/08/88/35/526088835.db2.gz QZSVLLLTQIXOEK-HSZRJFAPSA-N -1 0 326.421 2.739 10 0 EFAERM CSc1ccccc1C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262014644 526153362 /nfs/dbraw/zinc/15/33/62/526153362.db2.gz FTMBJKJRUCWZFL-GFCCVEGCSA-N -1 0 325.430 2.797 10 0 EFAERM C[C@H](C(=O)[O-])N(CC(=O)N[C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000263152050 526181753 /nfs/dbraw/zinc/18/17/53/526181753.db2.gz POLKWXFNYDJPEO-UONOGXRCSA-N -1 0 340.423 2.955 10 0 EFAERM Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(C)n1 ZINC000263078618 526210906 /nfs/dbraw/zinc/21/09/06/526210906.db2.gz GPVJRHOIRQKVFY-MRXNPFEDSA-N -1 0 326.396 2.904 10 0 EFAERM C[C@H](CC(=O)[O-])NC(=O)c1c[nH]c2cccc(Br)c21 ZINC000237633666 526251764 /nfs/dbraw/zinc/25/17/64/526251764.db2.gz BIRDGVLODXPYNT-SSDOTTSWSA-N -1 0 325.162 2.523 10 0 EFAERM Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000263111913 526270941 /nfs/dbraw/zinc/27/09/41/526270941.db2.gz 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O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000262999231 526293346 /nfs/dbraw/zinc/29/33/46/526293346.db2.gz ORRWUTSGEOWAFM-KAYNKYAESA-N -1 0 335.350 2.780 10 0 EFAERM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)NCCCc1ccccc1F)C2 ZINC000263344947 526297689 /nfs/dbraw/zinc/29/76/89/526297689.db2.gz GIOPUQXYWYQOFK-KBXCAEBGSA-N -1 0 334.391 2.655 10 0 EFAERM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Nc1ccc3c(c1)CCC3=O)C2 ZINC000263071263 526298024 /nfs/dbraw/zinc/29/80/24/526298024.db2.gz PXXUZQUKPKJXRB-KPZWWZAWSA-N -1 0 328.368 2.534 10 0 EFAERM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)CCOc1ccc(Cl)cc1)C2 ZINC000262201721 526298161 /nfs/dbraw/zinc/29/81/61/526298161.db2.gz HLGCCPGCWDADTP-YVEFUNNKSA-N -1 0 337.803 2.822 10 0 EFAERM O=C([O-])[C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)Cc1ccccc1 ZINC000262553585 526303760 /nfs/dbraw/zinc/30/37/60/526303760.db2.gz VPKAEZVNGIVCEM-RDJZCZTQSA-N -1 0 341.432 2.763 10 0 EFAERM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)[C@@H]1CCCCO1 ZINC000263208582 526304213 /nfs/dbraw/zinc/30/42/13/526304213.db2.gz ZJOPDRIPWTVKSZ-XIRDDKMYSA-N -1 0 331.412 2.635 10 0 EFAERM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cncc(F)c1 ZINC000263210371 526304226 /nfs/dbraw/zinc/30/42/26/526304226.db2.gz ZPQCYBZOVYTABZ-GUYCJALGSA-N -1 0 342.370 2.914 10 0 EFAERM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NC(=O)[C@H]1CCCCO1 ZINC000263208578 526304651 /nfs/dbraw/zinc/30/46/51/526304651.db2.gz ZJOPDRIPWTVKSZ-HYVNUMGLSA-N -1 0 331.412 2.635 10 0 EFAERM Cc1nnc(-c2ccc(C(=O)NC3(CC(=O)[O-])CCCC3)cc2)o1 ZINC000263019481 526315864 /nfs/dbraw/zinc/31/58/64/526315864.db2.gz XZGLCXOCXIDWMD-UHFFFAOYSA-N -1 0 329.356 2.562 10 0 EFAERM O=C([O-])[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C1 ZINC000263035928 526326817 /nfs/dbraw/zinc/32/68/17/526326817.db2.gz LDQXWJMXPRSADK-LBPRGKRZSA-N -1 0 348.790 2.523 10 0 EFAERM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C1 ZINC000263321124 526328186 /nfs/dbraw/zinc/32/81/86/526328186.db2.gz NOVIXCAZPYVRBO-XJFOESAGSA-N -1 0 337.441 2.664 10 0 EFAERM O=C([O-])[C@]12CN(C(=O)CC3CC(c4ccccc4)C3)C[C@H]1COCC2 ZINC000263350136 526340313 /nfs/dbraw/zinc/34/03/13/526340313.db2.gz PEMYSCOUQBTBFW-UMECUKIZSA-N -1 0 343.423 2.520 10 0 EFAERM O=C([O-])c1ccc(CC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000263349005 526364156 /nfs/dbraw/zinc/36/41/56/526364156.db2.gz OWZMHPFEZUDERS-KRWDZBQOSA-N -1 0 331.412 2.878 10 0 EFAERM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c(F)c1 ZINC000185144783 526382033 /nfs/dbraw/zinc/38/20/33/526382033.db2.gz VHBMCBZQIOYDPW-GFCCVEGCSA-N -1 0 339.344 2.643 10 0 EFAERM O=C([O-])c1ccccc1CC1CCN(C(=O)COCC2CC2)CC1 ZINC000262932512 526396642 /nfs/dbraw/zinc/39/66/42/526396642.db2.gz HBUGTMOLLHYDLA-UHFFFAOYSA-N -1 0 331.412 2.593 10 0 EFAERM O=C([O-])c1ccn(-c2ccccc2NC(=O)c2cccc(F)c2)n1 ZINC000238233661 526398555 /nfs/dbraw/zinc/39/85/55/526398555.db2.gz MSBQJBLBGWARLU-UHFFFAOYSA-N -1 0 325.299 2.962 10 0 EFAERM O=C([O-])c1ccn(-c2ccccc2NC(=O)CCC(F)(F)F)n1 ZINC000238144720 526399119 /nfs/dbraw/zinc/39/91/19/526399119.db2.gz ZRDYQUPGKPJQMP-UHFFFAOYSA-N -1 0 327.262 2.852 10 0 EFAERM O=C([O-])c1ccn(-c2ccccc2NC(=O)COc2ccccc2)n1 ZINC000238231081 526399184 /nfs/dbraw/zinc/39/91/84/526399184.db2.gz LXXGYDPPVQALRA-UHFFFAOYSA-N -1 0 337.335 2.588 10 0 EFAERM Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C(=O)[O-])c(C)n3)C2)n1 ZINC000263301115 526419228 /nfs/dbraw/zinc/41/92/28/526419228.db2.gz DGUNQWMXLWQQKH-GFCCVEGCSA-N -1 0 345.424 2.873 10 0 EFAERM Cc1csc([C@H](C)CNC(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC000263221641 526429246 /nfs/dbraw/zinc/42/92/46/526429246.db2.gz KUGQHKCLWGGTQT-SNVBAGLBSA-N -1 0 333.413 2.753 10 0 EFAERM Cc1nnsc1C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263176113 526444386 /nfs/dbraw/zinc/44/43/86/526444386.db2.gz WOHWZABQEOURRD-OCCSQVGLSA-N -1 0 345.424 2.540 10 0 EFAERM Cc1noc(C)c1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263125497 526473873 /nfs/dbraw/zinc/47/38/73/526473873.db2.gz SMDMTEILIXUMKX-GOEBONIOSA-N -1 0 342.395 2.985 10 0 EFAERM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000178500606 526503433 /nfs/dbraw/zinc/50/34/33/526503433.db2.gz DZAARJZUWCUOBL-SECBINFHSA-N -1 0 343.782 2.989 10 0 EFAERM Cc1n[nH]c2cc(NC(=O)c3cc(=O)n(-c4ccc(C)cc4)[n-]3)ccc12 ZINC000091836986 526538436 /nfs/dbraw/zinc/53/84/36/526538436.db2.gz DEBQHYJEGBAEJT-UHFFFAOYSA-N -1 0 347.378 2.911 10 0 EFAERM Cc1nc(-c2cccc(NC(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)c2)no1 ZINC000263200778 526589166 /nfs/dbraw/zinc/58/91/66/526589166.db2.gz XEZHIWGENLKUNS-GWCFXTLKSA-N -1 0 344.371 2.620 10 0 EFAERM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262992459 526620328 /nfs/dbraw/zinc/62/03/28/526620328.db2.gz STBJMMWPPZWDBV-MRXNPFEDSA-N -1 0 348.449 2.809 10 0 EFAERM Cc1noc(COc2ccc(NC(=O)CCCCC(=O)[O-])cc2)n1 ZINC000263306052 526625857 /nfs/dbraw/zinc/62/58/57/526625857.db2.gz OLQXCWMBPVTRSS-UHFFFAOYSA-N -1 0 333.344 2.541 10 0 EFAERM Cc1nscc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000263256806 526717980 /nfs/dbraw/zinc/71/79/80/526717980.db2.gz LDUACUMOJOGDIX-UHFFFAOYSA-N -1 0 330.409 2.710 10 0 EFAERM Cc1nc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)n(C)n1 ZINC000185837546 527000881 /nfs/dbraw/zinc/00/08/81/527000881.db2.gz CZZITPKXJICAHT-UHFFFAOYSA-N -1 0 342.833 2.792 10 0 EFAERM Cc1nc([C@H](C)NC(=O)c2cc(Cl)cn2C)sc1C(=O)[O-] ZINC000262581372 527062153 /nfs/dbraw/zinc/06/21/53/527062153.db2.gz QVDCTGWQYSRLOK-ZETCQYMHSA-N -1 0 327.793 2.633 10 0 EFAERM Cc1nc([C@H](C)NC(=O)c2ccc(OC(C)C)nc2)sc1C(=O)[O-] ZINC000262598558 527063536 /nfs/dbraw/zinc/06/35/36/527063536.db2.gz XWPIXNQCYOOHCZ-JTQLQIEISA-N -1 0 349.412 2.823 10 0 EFAERM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000078967908 527088726 /nfs/dbraw/zinc/08/87/26/527088726.db2.gz OMOXKANVETZRIB-UHFFFAOYSA-N -1 0 344.314 2.605 10 0 EFAERM Cc1ncc(C(=O)N2C[C@H](C(=O)[O-])C[C@@H](c3ccccc3)C2)s1 ZINC000180335517 527231206 /nfs/dbraw/zinc/23/12/06/527231206.db2.gz ZLAMJLKZLTXOFW-ZIAGYGMSSA-N -1 0 330.409 2.782 10 0 EFAERM O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1ccccc1Cl ZINC000119832092 527244426 /nfs/dbraw/zinc/24/44/26/527244426.db2.gz GAEFZNCXSGGNBF-UHFFFAOYSA-N -1 0 334.788 2.926 10 0 EFAERM O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1cc(F)cc(F)c1 ZINC000119835152 527244482 /nfs/dbraw/zinc/24/44/82/527244482.db2.gz KWEKQFSDDLUEFA-UHFFFAOYSA-N -1 0 336.323 2.551 10 0 EFAERM O=S(=O)([N-]c1ccn(CC(F)F)n1)c1c(F)cccc1Cl ZINC000126218688 527255666 /nfs/dbraw/zinc/25/56/66/527255666.db2.gz VTNGXCBBHRDYCK-UHFFFAOYSA-N -1 0 339.726 2.742 10 0 EFAERM Cc1nc(S(=O)(=O)[N-]c2ccc(C)cc2Br)c[nH]1 ZINC000070069434 527306009 /nfs/dbraw/zinc/30/60/09/527306009.db2.gz CQAXRGXRUGXHTE-UHFFFAOYSA-N -1 0 330.207 2.590 10 0 EFAERM O=C(Cc1coc(-c2ccc(F)cc2)n1)[N-]OCc1cccnc1 ZINC000152570480 527329212 /nfs/dbraw/zinc/32/92/12/527329212.db2.gz YSBBXWFSXJKYOY-UHFFFAOYSA-N -1 0 327.315 2.666 10 0 EFAERM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000150932110 527440342 /nfs/dbraw/zinc/44/03/42/527440342.db2.gz RUTQDGVHOAOIMP-LBPRGKRZSA-N -1 0 333.819 2.874 10 0 EFAERM Cc1ncoc1C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262988319 527470117 /nfs/dbraw/zinc/47/01/17/527470117.db2.gz JZNPDKWGPUSJOB-ZFWWWQNUSA-N -1 0 328.368 2.676 10 0 EFAERM Cc1ncsc1C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000180298386 527478437 /nfs/dbraw/zinc/47/84/37/527478437.db2.gz OHUHUWNOIMOCEK-KGLIPLIRSA-N -1 0 330.409 2.782 10 0 EFAERM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCSC1 ZINC000263217675 527597652 /nfs/dbraw/zinc/59/76/52/527597652.db2.gz JVPLMEFWTLTAGZ-HUUCEWRRSA-N -1 0 336.457 2.657 10 0 EFAERM O=C([O-])[C@@H](CNC(=O)c1cncn1-c1ccccc1)Cc1ccccc1 ZINC000238192153 527646250 /nfs/dbraw/zinc/64/62/50/527646250.db2.gz MTOKSDFEUQQJDX-MRXNPFEDSA-N -1 0 349.390 2.546 10 0 EFAERM O=C([O-])[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCCOC1 ZINC000262715619 527652935 /nfs/dbraw/zinc/65/29/35/527652935.db2.gz CPZMHKLVESEXNU-OTYXRUKQSA-N -1 0 337.759 2.696 10 0 EFAERM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)CSCC(F)(F)F ZINC000262982390 527658646 /nfs/dbraw/zinc/65/86/46/527658646.db2.gz RIBBVKPUQBHQIC-NXEZZACHSA-N -1 0 327.368 2.822 10 0 EFAERM CCCCCOCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181902780 528230311 /nfs/dbraw/zinc/23/03/11/528230311.db2.gz OONNIHYKUPWFNT-AWEZNQCLSA-N -1 0 331.771 2.928 10 0 EFAERM CC(C)c1nncn1CCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000174345867 528484305 /nfs/dbraw/zinc/48/43/05/528484305.db2.gz HEAGIINTMUEZHG-UHFFFAOYSA-N -1 0 343.214 2.844 10 0 EFAERM CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181309586 528687225 /nfs/dbraw/zinc/68/72/25/528687225.db2.gz IBWIHCBXYNBYOD-UHFFFAOYSA-N -1 0 334.323 2.679 10 0 EFAERM CCCC[C@H](NC(=O)NCC)C(=O)Nc1cccc(Cl)c1[O-] ZINC000179724646 528979526 /nfs/dbraw/zinc/97/95/26/528979526.db2.gz UIRYEMVMCVIGSU-LBPRGKRZSA-N -1 0 327.812 2.862 10 0 EFAERM CC(C)O[C@H]1C[C@@H](NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000263402532 534922771 /nfs/dbraw/zinc/92/27/71/534922771.db2.gz SKYOIGCZIDXERG-YESZJQIVSA-N -1 0 348.443 2.718 10 0 EFAERM CCCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)n[nH]1 ZINC000349219619 535082214 /nfs/dbraw/zinc/08/22/14/535082214.db2.gz WKLHHVULCUWCHZ-UHFFFAOYSA-N -1 0 334.445 2.545 10 0 EFAERM CC(C)C[C@H](CNC(=O)N1CCC[C@]2(CCSC2)C1)C(=O)[O-] ZINC000424437204 535309398 /nfs/dbraw/zinc/30/93/98/535309398.db2.gz YGVYCFUOGWGFLU-CJNGLKHVSA-N -1 0 328.478 2.662 10 0 EFAERM CC(C)CCO[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263397222 535385937 /nfs/dbraw/zinc/38/59/37/535385937.db2.gz RNTUUOZRELORNG-MRXNPFEDSA-N -1 0 334.416 2.731 10 0 EFAERM CC(C)CCOc1ccccc1CNC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263360324 535387372 /nfs/dbraw/zinc/38/73/72/535387372.db2.gz KFMLJUBTQHPCQQ-AWEZNQCLSA-N -1 0 336.432 2.974 10 0 EFAERM CCCc1nc(=NC(=O)N2CCC[C@@]2(CCC)COC)s[n-]1 ZINC000350899890 535469718 /nfs/dbraw/zinc/46/97/18/535469718.db2.gz MWSXSAHMQKLUKK-HNNXBMFYSA-N -1 0 326.466 2.726 10 0 EFAERM CCCc1nc(=NC(=O)NCCc2c[nH]c3cc(F)ccc23)s[n-]1 ZINC000350866632 535471038 /nfs/dbraw/zinc/47/10/38/535471038.db2.gz LXBCFQGZXYMBNG-UHFFFAOYSA-N -1 0 347.419 2.897 10 0 EFAERM CCCc1nc(=NC(=O)NCCCCN(C)c2ccccc2)s[n-]1 ZINC000350989021 535471691 /nfs/dbraw/zinc/47/16/91/535471691.db2.gz LKMKHNJDQSIAMH-UHFFFAOYSA-N -1 0 347.488 2.951 10 0 EFAERM CCCc1nc(=NC(=O)NCC2(c3cccc(OC)c3)CC2)s[n-]1 ZINC000350894226 535471791 /nfs/dbraw/zinc/47/17/91/535471791.db2.gz CFCNDFLWVLUQMY-UHFFFAOYSA-N -1 0 346.456 2.774 10 0 EFAERM CCCc1nc(=NC(=O)NCc2ccnc(O[C@@H](C)CC)c2)s[n-]1 ZINC000350871223 535473284 /nfs/dbraw/zinc/47/32/84/535473284.db2.gz UOVSUUKQCNPGJH-NSHDSACASA-N -1 0 349.460 2.807 10 0 EFAERM CCCc1nc(=NC(=O)NCc2csc(-c3ccco3)n2)s[n-]1 ZINC000350868857 535473630 /nfs/dbraw/zinc/47/36/30/535473630.db2.gz ORJFRRFTSSOXPP-UHFFFAOYSA-N -1 0 349.441 2.951 10 0 EFAERM CCCc1nc(=NC(=O)NCc2ccnc(SCC)c2)s[n-]1 ZINC000350970908 535473754 /nfs/dbraw/zinc/47/37/54/535473754.db2.gz DEENBZCVQHZLNE-UHFFFAOYSA-N -1 0 337.474 2.741 10 0 EFAERM CCCc1nc(=NC(=O)N[C@@H]2CCc3c2cccc3OC)s[n-]1 ZINC000351028684 535474769 /nfs/dbraw/zinc/47/47/69/535474769.db2.gz WNBURWYJWBLAQF-GFCCVEGCSA-N -1 0 332.429 2.730 10 0 EFAERM CCCc1nc(=NC(=O)N[C@H]2CCCO[C@H]2CC(C)C)s[n-]1 ZINC000350865797 535474899 /nfs/dbraw/zinc/47/48/99/535474899.db2.gz KYQJZSTVJPIUFC-RYUDHWBXSA-N -1 0 326.466 2.628 10 0 EFAERM CCCc1nc(=NC(=O)Nc2c[nH]nc2-c2ccccc2)s[n-]1 ZINC000350871836 535475429 /nfs/dbraw/zinc/47/54/29/535475429.db2.gz WABUIEARXDNNLJ-UHFFFAOYSA-N -1 0 328.401 2.947 10 0 EFAERM CCCc1nc(=NC(=O)N[C@H]2C[C@@H](OC)C2(CC)CC)s[n-]1 ZINC000350892950 535475863 /nfs/dbraw/zinc/47/58/63/535475863.db2.gz ANZNJLJTGLANJF-WDEREUQCSA-N -1 0 326.466 2.628 10 0 EFAERM CCCc1nc(=NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)s[n-]1 ZINC000338641932 535476713 /nfs/dbraw/zinc/47/67/13/535476713.db2.gz LRAMJSFDXDTLMI-QMMMGPOBSA-N -1 0 327.356 2.597 10 0 EFAERM CCOc1ccccc1CCNC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424390947 535498020 /nfs/dbraw/zinc/49/80/20/535498020.db2.gz GNOKQQSZLYAWDL-OAHLLOKOSA-N -1 0 336.432 2.674 10 0 EFAERM CCCc1ncc(CNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)o1 ZINC000414093335 535543786 /nfs/dbraw/zinc/54/37/86/535543786.db2.gz NPAPMASRZZWJMQ-SFHVURJKSA-N -1 0 330.384 2.676 10 0 EFAERM CCOc1ccncc1S(=O)(=O)[N-]c1cc(F)c(OC)cc1C ZINC000414382885 535561756 /nfs/dbraw/zinc/56/17/56/535561756.db2.gz PZSIALQSXOUOKX-UHFFFAOYSA-N -1 0 340.376 2.737 10 0 EFAERM CC[C@@H](C)[C@@H](NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C(=O)[O-] ZINC000237052883 535662828 /nfs/dbraw/zinc/66/28/28/535662828.db2.gz UHNQAWOSZOFCHE-YMTOWFKASA-N -1 0 335.791 2.959 10 0 EFAERM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H]2CCO[C@@H](CC)C2)n1 ZINC000422125832 535921354 /nfs/dbraw/zinc/92/13/54/535921354.db2.gz PUJVQDUBENZEOL-GJZGRUSLSA-N -1 0 343.427 2.828 10 0 EFAERM CCc1cnc(CCNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000438761924 536022901 /nfs/dbraw/zinc/02/29/01/536022901.db2.gz FAIZRUVYPZHQAP-GOSISDBHSA-N -1 0 346.452 2.797 10 0 EFAERM COC(=O)[C@@H](Sc1n[nH]c(=O)[n-]1)c1cccc(Cl)c1Cl ZINC000194619923 536456803 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546709268 /nfs/dbraw/zinc/70/92/68/546709268.db2.gz RHGPWUQFJLGISB-QWHCGFSZSA-N -1 0 343.420 2.788 10 0 EFAERM C[C@@H](CC(=O)[O-])CC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000656233723 546734074 /nfs/dbraw/zinc/73/40/74/546734074.db2.gz WBZCNWYWWVTDAK-LLVKDONJSA-N -1 0 334.347 2.640 10 0 EFAERM C[C@H](CC(=O)[O-])CC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000656233728 546734242 /nfs/dbraw/zinc/73/42/42/546734242.db2.gz WBZCNWYWWVTDAK-NSHDSACASA-N -1 0 334.347 2.640 10 0 EFAERM Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000656232714 546734276 /nfs/dbraw/zinc/73/42/76/546734276.db2.gz OKXQYDDGHKDDTE-UHFFFAOYSA-N -1 0 328.368 2.576 10 0 EFAERM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccn(C(C)(C)C)n2)cc1 ZINC000656232544 546734405 /nfs/dbraw/zinc/73/44/05/546734405.db2.gz UPDVSCIFBAEJBU-OAHLLOKOSA-N -1 0 345.399 2.593 10 0 EFAERM O=C(C[C@@H]1OCc2ccccc21)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000656235294 546735304 /nfs/dbraw/zinc/73/53/04/546735304.db2.gz GLEVWZKEYYKTEE-AEFFLSMTSA-N -1 0 339.391 2.708 10 0 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ZINC000793334809 1279555341 /nfs/dbraw/zinc/55/53/41/1279555341.db2.gz JPWGUHXSBURNCA-LBPRGKRZSA-N -1 0 345.486 2.730 10 0 EFAERM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C)c2F)c(C)c1 ZINC000793357440 1279564052 /nfs/dbraw/zinc/56/40/52/1279564052.db2.gz LFWQUFBSYJUCCE-UHFFFAOYSA-N -1 0 337.372 2.570 10 0 EFAERM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3c2CCC3)c(C)c1 ZINC000793347569 1279593086 /nfs/dbraw/zinc/59/30/86/1279593086.db2.gz PQNWQJZOWSCXDC-UHFFFAOYSA-N -1 0 345.420 2.611 10 0 EFAERM Cc1nnc([C@@H](C)Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)o1 ZINC000871913267 1287359672 /nfs/dbraw/zinc/35/96/72/1287359672.db2.gz WQEBVNZJRWERNO-SSDOTTSWSA-N -1 0 346.284 2.869 10 0 EFAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CCCC2)c(C)s1 ZINC000845454392 1279669125 /nfs/dbraw/zinc/66/91/25/1279669125.db2.gz FYFDFINBGDPBOT-QWHCGFSZSA-N -1 0 327.471 2.996 10 0 EFAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CCCC2)c(F)c1 ZINC000845478621 1279693048 /nfs/dbraw/zinc/69/30/48/1279693048.db2.gz COGUHMNHVPPGGY-STQMWFEESA-N -1 0 325.405 2.765 10 0 EFAERM COc1cccc(CS(=O)(=O)[N-]C(=O)c2cc[nH]c2C2CCC2)c1 ZINC000845513036 1279695213 /nfs/dbraw/zinc/69/52/13/1279695213.db2.gz KPKNVQABFBIPFM-UHFFFAOYSA-N -1 0 348.424 2.551 10 0 EFAERM CCO[N-]C(=O)CNC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000845539242 1279708233 /nfs/dbraw/zinc/70/82/33/1279708233.db2.gz TZGCEOIJVSKHOA-AWEZNQCLSA-N -1 0 339.823 2.644 10 0 EFAERM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H](c1cccnc1)C1CC1 ZINC000871931699 1287368607 /nfs/dbraw/zinc/36/86/07/1287368607.db2.gz LAYQKDCYRGDZJF-INIZCTEOSA-N -1 0 346.408 2.518 10 0 EFAERM O=C([N-]S(=O)(=O)c1nc(Cl)cs1)c1cc[nH]c1C1CCC1 ZINC000845586369 1279731088 /nfs/dbraw/zinc/73/10/88/1279731088.db2.gz DTTGMEGPEXWXQX-UHFFFAOYSA-N -1 0 345.833 2.511 10 0 EFAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OCC(C)C)cc1Cl ZINC000747131645 1279745231 /nfs/dbraw/zinc/74/52/31/1279745231.db2.gz YLDMUSMVDKMLHI-NSHDSACASA-N -1 0 333.837 2.514 10 0 EFAERM Cc1cc(S(=O)(=O)N2CC3(CCC3)C[C@H]2C)sc1C(=O)[O-] ZINC000871949765 1287374026 /nfs/dbraw/zinc/37/40/26/1287374026.db2.gz LUALRTAEQYKDNG-SNVBAGLBSA-N -1 0 329.443 2.708 10 0 EFAERM O=c1c2c([n-]n1-c1ccc(S(=O)(=O)C(F)F)cc1)CCCC2 ZINC000871949637 1287374121 /nfs/dbraw/zinc/37/41/21/1287374121.db2.gz HXUFACICKPXGNU-NSHDSACASA-N -1 0 328.340 2.576 10 0 EFAERM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CC2(CCC2)C[C@H]1C ZINC000871950215 1287374127 /nfs/dbraw/zinc/37/41/27/1287374127.db2.gz ZBJKIGLWGMUVKU-SECBINFHSA-N -1 0 329.443 2.708 10 0 EFAERM C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)Cc2cccc3ncccc23)C1 ZINC000845712887 1279792190 /nfs/dbraw/zinc/79/21/90/1279792190.db2.gz IADLTYRNOKDNAE-KECPUOCWSA-N -1 0 344.436 2.927 10 0 EFAERM O=C([N-]S(=O)(=O)Cc1cccc2ncccc12)C(C1CC1)C1CC1 ZINC000845713628 1279792525 /nfs/dbraw/zinc/79/25/25/1279792525.db2.gz QVJHUASMQHCGTL-UHFFFAOYSA-N -1 0 344.436 2.617 10 0 EFAERM O=C([N-]S(=O)(=O)Cc1cccc2ncccc12)C(F)=C1CCCC1 ZINC000845716295 1279792973 /nfs/dbraw/zinc/79/29/73/1279792973.db2.gz RVHAOPRFYWUBNG-UHFFFAOYSA-N -1 0 348.399 2.978 10 0 EFAERM C/C(=C/C(=O)[N-]S(=O)(=O)Cc1cccc2ncccc12)C1CC1 ZINC000845718761 1279795055 /nfs/dbraw/zinc/79/50/55/1279795055.db2.gz UQVNUUJBRPMDSS-BENRWUELSA-N -1 0 330.409 2.537 10 0 EFAERM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc2ncccc12 ZINC000845718053 1279795257 /nfs/dbraw/zinc/79/52/57/1279795257.db2.gz HHPRGSMGJPLKPM-QAPCUYQASA-N -1 0 346.452 2.863 10 0 EFAERM COCc1nc(Cl)cc(-n2[n-]c(-c3ccc(F)c(C)c3)cc2=O)n1 ZINC000871957226 1287376204 /nfs/dbraw/zinc/37/62/04/1287376204.db2.gz AYNCZNHPVATPIE-UHFFFAOYSA-N -1 0 348.765 2.865 10 0 EFAERM CCn1c(=O)c2ccccc2nc1-n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871941652 1287372165 /nfs/dbraw/zinc/37/21/65/1287372165.db2.gz CSELYBYFVGGTQR-CYBMUJFWSA-N -1 0 338.411 2.945 10 0 EFAERM C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)[C@H]1C ZINC000871969588 1287379018 /nfs/dbraw/zinc/37/90/18/1287379018.db2.gz MMOONAIFIMWGRR-BQBZGAKWSA-N -1 0 338.212 2.721 10 0 EFAERM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]1C1CC1 ZINC000871968954 1287379139 /nfs/dbraw/zinc/37/91/39/1287379139.db2.gz WOAZPWWGXAIGIZ-GFCCVEGCSA-N -1 0 329.805 2.520 10 0 EFAERM C[C@@H]1[C@@H](C)CN1S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000871969597 1287379162 /nfs/dbraw/zinc/37/91/62/1287379162.db2.gz MOIUEJDNBXYZQA-NKWVEPMBSA-N -1 0 338.212 2.721 10 0 EFAERM O=C(Cc1cn2c(n1)CCCC2)Nc1ccc2[n-]c(=S)oc2c1 ZINC000845820107 1279873149 /nfs/dbraw/zinc/87/31/49/1279873149.db2.gz ALJGAYSKWWIYAI-UHFFFAOYSA-N -1 0 328.397 2.831 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCC[C@@H](CCF)C2)c(C)c1C(=O)[O-] ZINC000871983555 1287384978 /nfs/dbraw/zinc/38/49/78/1287384978.db2.gz ICDGDIXQAFUVDC-ZDUSSCGKSA-N -1 0 343.420 2.762 10 0 EFAERM Cc1ccc(S(=O)(=O)NCC[C@]2(C)CC2(F)F)c(C)c1C(=O)[O-] ZINC000871984389 1287385304 /nfs/dbraw/zinc/38/53/04/1287385304.db2.gz WYIOMZOUVLWSDU-CQSZACIVSA-N -1 0 347.383 2.715 10 0 EFAERM CCc1ccc(S(=O)(=O)N2CCC[C@@H](CCF)C2)cc1C(=O)[O-] ZINC000871984566 1287386003 /nfs/dbraw/zinc/38/60/03/1287386003.db2.gz XXUHZMKFPAEDIF-LBPRGKRZSA-N -1 0 343.420 2.708 10 0 EFAERM CCc1ccc(S(=O)(=O)NC[C@H]2C(C)(C)C2(F)F)cc1C(=O)[O-] ZINC000871985899 1287386030 /nfs/dbraw/zinc/38/60/30/1287386030.db2.gz CYXKXEPYKNIXAS-LBPRGKRZSA-N -1 0 347.383 2.517 10 0 EFAERM C[C@@](CC(=O)[O-])(NS(=O)(=O)C1=Cc2ccccc2CC1)C1CC1 ZINC000871997176 1287389353 /nfs/dbraw/zinc/38/93/53/1287389353.db2.gz OZQKRUCSLWGNPG-KRWDZBQOSA-N -1 0 335.425 2.537 10 0 EFAERM Cc1cc(S(=O)(=O)N[C@H](C)C2CCC(F)CC2)sc1C(=O)[O-] ZINC000871987289 1287387191 /nfs/dbraw/zinc/38/71/91/1287387191.db2.gz WUEYYHKXNFDPHE-KPPDAEKUSA-N -1 0 349.449 2.950 10 0 EFAERM O=C([N-]OCC1CC1)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000845975761 1279952408 /nfs/dbraw/zinc/95/24/08/1279952408.db2.gz LBLLFGJEHYJPKM-UHFFFAOYSA-N -1 0 340.379 2.662 10 0 EFAERM COc1cc(S(=O)(=O)NC2CC(C)(C)C2)c(Cl)cc1C(=O)[O-] ZINC000871989828 1287387385 /nfs/dbraw/zinc/38/73/85/1287387385.db2.gz UOJROFGTPGWLTD-UHFFFAOYSA-N -1 0 347.820 2.514 10 0 EFAERM C[C@@]1(CCNS(=O)(=O)c2cccnc2Cl)C[C@@]1(F)Cl ZINC000845981351 1279956869 /nfs/dbraw/zinc/95/68/69/1279956869.db2.gz OGSPIANZXBIUDT-MNOVXSKESA-N -1 0 327.208 2.718 10 0 EFAERM C[C@H](NS(=O)(=O)c1ccc(Cl)s1)[C@@](C)(O)c1ccccc1 ZINC000845981508 1279957484 /nfs/dbraw/zinc/95/74/84/1279957484.db2.gz RPNVZURQIQETDT-IINYFYTJSA-N -1 0 345.873 2.976 10 0 EFAERM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC2CC1(C)C2 ZINC000871991123 1287388356 /nfs/dbraw/zinc/38/83/56/1287388356.db2.gz POFGYNHJMVSREH-UHFFFAOYSA-N -1 0 329.805 2.520 10 0 EFAERM CCC(NS(=O)(=O)c1cccc(CC(=O)[O-])c1)(C1CC1)C1CC1 ZINC000871993685 1287388402 /nfs/dbraw/zinc/38/84/02/1287388402.db2.gz NLSYSHKFJHCOQA-UHFFFAOYSA-N -1 0 337.441 2.561 10 0 EFAERM Cc1ccccc1[C@H](NS(=O)(=O)c1occc1C(=O)[O-])C1CC1 ZINC000871993946 1287388601 /nfs/dbraw/zinc/38/86/01/1287388601.db2.gz PEHACDBIZUSYOD-CQSZACIVSA-N -1 0 335.381 2.716 10 0 EFAERM COc1c(F)cccc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000872002472 1287390010 /nfs/dbraw/zinc/39/00/10/1287390010.db2.gz OHNBFGGWGSXFDD-UHFFFAOYSA-N -1 0 342.417 2.970 10 0 EFAERM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC(C)(C)C(C)(F)F ZINC000871998700 1287390022 /nfs/dbraw/zinc/39/00/22/1287390022.db2.gz PJHUSGJEZUJXFM-UHFFFAOYSA-N -1 0 335.372 2.653 10 0 EFAERM Cc1ccc(Cl)cc1S(=O)(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000871997813 1287390156 /nfs/dbraw/zinc/39/01/56/1287390156.db2.gz ZJEADUNASCOURB-AWEZNQCLSA-N -1 0 331.821 2.570 10 0 EFAERM Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccsc2)sc1C(=O)[O-] ZINC000872000418 1287390272 /nfs/dbraw/zinc/39/02/72/1287390272.db2.gz JEJAKRIUUCNSQC-VHSXEESVSA-N -1 0 343.451 2.651 10 0 EFAERM Cc1ccc2cc(S(=O)(=O)N[C@@H]3C[C@H]4C[C@@]4(C(=O)[O-])C3)ccc2c1 ZINC000871998048 1287390323 /nfs/dbraw/zinc/39/03/23/1287390323.db2.gz MQLAMMYEKFBNFZ-HDMKZQKVSA-N -1 0 345.420 2.680 10 0 EFAERM O=C([O-])C1(c2ccc(S(=O)(=O)NCCCCC3CC3)cc2)CC1 ZINC000871998564 1287390366 /nfs/dbraw/zinc/39/03/66/1287390366.db2.gz JKAFNWAAVCEDBF-UHFFFAOYSA-N -1 0 337.441 2.661 10 0 EFAERM COC/C(C)=C\C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000846119841 1280025165 /nfs/dbraw/zinc/02/51/65/1280025165.db2.gz LIJPMIFNZOLMFB-FNOHHLHBSA-N -1 0 331.290 2.697 10 0 EFAERM CC(C)c1noc2ncc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc21 ZINC000846122936 1280026480 /nfs/dbraw/zinc/02/64/80/1280026480.db2.gz QSMIGNJNJXNEMP-LBPRGKRZSA-N -1 0 333.388 2.965 10 0 EFAERM Cn1cc(S(=O)(=O)[N-]c2ncccc2Cl)c(C(C)(C)C)n1 ZINC000872005087 1287392720 /nfs/dbraw/zinc/39/27/20/1287392720.db2.gz ZZSAQFZOUWCMSE-UHFFFAOYSA-N -1 0 328.825 2.567 10 0 EFAERM COC1(C[C@H](NC(=O)Cc2c[nH]c3cc(C)ccc23)C(=O)[O-])CCC1 ZINC000846130233 1280030114 /nfs/dbraw/zinc/03/01/14/1280030114.db2.gz RUACZHKTYKVDSB-INIZCTEOSA-N -1 0 344.411 2.547 10 0 EFAERM CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(F)cc2[O-])c1 ZINC000794119059 1280037339 /nfs/dbraw/zinc/03/73/39/1280037339.db2.gz RJNRQKUNDTXPOF-UHFFFAOYSA-N -1 0 331.347 2.949 10 0 EFAERM C[C@@](CC(=O)[O-])(NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000871997187 1287389572 /nfs/dbraw/zinc/38/95/72/1287389572.db2.gz PNBVIJWKEFWVGH-HVHJFMEUSA-N -1 0 343.832 2.874 10 0 EFAERM 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EFAERM O=C([O-])c1cc(NC(=O)c2csc(-c3ncccn3)n2)ccc1F ZINC000917659633 728771595 /nfs/dbraw/zinc/77/15/95/728771595.db2.gz INTQEBJSEKQXCT-UHFFFAOYSA-N -1 0 344.327 2.690 10 0 EFAERM C[C@H]1SCCN(C(=O)c2cc(C(=O)[O-])on2)[C@@H]1c1ccccc1 ZINC000909415119 723006190 /nfs/dbraw/zinc/00/61/90/723006190.db2.gz RZQHMHVOQGPIMB-YGRLFVJLSA-N -1 0 332.381 2.692 10 0 EFAERM CC(C)(C)OCC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000262082280 723042590 /nfs/dbraw/zinc/04/25/90/723042590.db2.gz FJFWMQBHTYAFGX-MRXNPFEDSA-N -1 0 333.428 2.954 10 0 EFAERM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262082358 723042597 /nfs/dbraw/zinc/04/25/97/723042597.db2.gz FLSCVDNWPBEBPR-SFHVURJKSA-N -1 0 341.407 2.818 10 0 EFAERM CC(C)CCC(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000049135811 723089941 /nfs/dbraw/zinc/08/99/41/723089941.db2.gz AVBSSBSICXRQGX-UHFFFAOYSA-N -1 0 335.223 2.926 10 0 EFAERM COc1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc(Cl)c1O ZINC000909530887 723096591 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C[C@H](CCC(=O)[O-])NC(=O)c1cccnc1OCc1ccccc1F ZINC000909447543 723325456 /nfs/dbraw/zinc/32/54/56/723325456.db2.gz DIRKZVITNDGBKC-GFCCVEGCSA-N -1 0 346.358 2.783 10 0 EFAERM C[C@H](CCC(=O)[O-])NC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000909448182 723332672 /nfs/dbraw/zinc/33/26/72/723332672.db2.gz FRTVMWUJSUXWNQ-SNVBAGLBSA-N -1 0 336.388 2.856 10 0 EFAERM C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262278796 723367560 /nfs/dbraw/zinc/36/75/60/723367560.db2.gz ZFNQMGMDRGCHNV-WFASDCNBSA-N -1 0 339.407 2.779 10 0 EFAERM C[C@H](CCC(=O)[O-])NC(=O)c1cccc(NCc2ccccn2)c1 ZINC000909450559 723371215 /nfs/dbraw/zinc/37/12/15/723371215.db2.gz QQHYBWZJUCDDAG-CYBMUJFWSA-N -1 0 327.384 2.677 10 0 EFAERM CC(C)(C)OCC[C@H](NC(=O)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000262141019 723381575 /nfs/dbraw/zinc/38/15/75/723381575.db2.gz ILSPNUWLUPHACR-LBPRGKRZSA-N -1 0 345.342 2.676 10 0 EFAERM C[C@H](CN(C(=O)c1ccnc(-c2ccccc2)c1N)C1CC1)C(=O)[O-] ZINC000909453366 723394874 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328.368 2.502 10 0 EFAERM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1cnc(-c2ccncc2)s1 ZINC000909683509 727360904 /nfs/dbraw/zinc/36/09/04/727360904.db2.gz MFBIEQMUCVWAJE-INIZCTEOSA-N -1 0 333.413 2.824 10 0 EFAERM C[C@](CC(=O)[O-])(NC(=O)C[C@@H]1CC(C)(C)CO1)c1cccc(F)c1 ZINC000909682755 727360940 /nfs/dbraw/zinc/36/09/40/727360940.db2.gz YIZCDICUJCGXNJ-RDTXWAMCSA-N -1 0 337.391 2.837 10 0 EFAERM Cc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)nc1C ZINC000909683794 727361205 /nfs/dbraw/zinc/36/12/05/727361205.db2.gz WYBGPFGBGOQOHB-SFHVURJKSA-N -1 0 330.359 2.957 10 0 EFAERM CC(C)(C)C1CC(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)C1 ZINC000909303649 727361524 /nfs/dbraw/zinc/36/15/24/727361524.db2.gz ZTLWMQMUUQJQNY-UHFFFAOYSA-N -1 0 333.428 2.881 10 0 EFAERM O=C([O-])[C@]1(F)CCN(C(=O)[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000909310161 727362225 /nfs/dbraw/zinc/36/22/25/727362225.db2.gz XJXZBEFBCHKJOR-QAPCUYQASA-N -1 0 334.391 2.771 10 0 EFAERM O=C([O-])[C@@]1(F)CCN(C(=O)[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000909310159 727362344 /nfs/dbraw/zinc/36/23/44/727362344.db2.gz XJXZBEFBCHKJOR-CRAIPNDOSA-N -1 0 334.391 2.771 10 0 EFAERM C[C@H](CNC(=O)c1cc(C(=O)[O-])on1)c1ccc(C(F)(F)F)cc1 ZINC000909694841 727362968 /nfs/dbraw/zinc/36/29/68/727362968.db2.gz NXNLOPQNOTYIHZ-MRVPVSSYSA-N -1 0 342.273 2.925 10 0 EFAERM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cnn(CC3CCCC3)c2)C1 ZINC000909697036 727363303 /nfs/dbraw/zinc/36/33/03/727363303.db2.gz VKCALUSBZZJNRT-SFHVURJKSA-N -1 0 333.432 2.646 10 0 EFAERM CCCOc1nc(C)ccc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000909699196 727363957 /nfs/dbraw/zinc/36/39/57/727363957.db2.gz DWKAWHCPDOGMHB-GOSISDBHSA-N -1 0 334.416 2.752 10 0 EFAERM COc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1Cl ZINC000909700725 727364076 /nfs/dbraw/zinc/36/40/76/727364076.db2.gz OMUKNLFWJGXWQX-INIZCTEOSA-N -1 0 325.792 2.922 10 0 EFAERM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)Cc2cccc3cnccc32)C1 ZINC000909700954 727364328 /nfs/dbraw/zinc/36/43/28/727364328.db2.gz QJWAFJUBRPCUAX-IBGZPJMESA-N -1 0 326.396 2.737 10 0 EFAERM CCc1nccn1[C@@H](C)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000909705117 727364823 /nfs/dbraw/zinc/36/48/23/727364823.db2.gz WHODJNFBFRYGKS-SWLSCSKDSA-N -1 0 347.390 2.520 10 0 EFAERM COC[C@@]1(C(=O)[O-])CCCN(C(=O)CC(C)(C)CC(F)(F)F)C1 ZINC000909711836 727366162 /nfs/dbraw/zinc/36/61/62/727366162.db2.gz PCGCADDBSWXZSK-CQSZACIVSA-N -1 0 339.354 2.695 10 0 EFAERM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000909689438 727367123 /nfs/dbraw/zinc/36/71/23/727367123.db2.gz VWTXCSULMSYWPI-SFHVURJKSA-N -1 0 344.415 2.783 10 0 EFAERM Cc1ccc([C@H](NC(=O)c2onc3c2CCCC3)C(=O)[O-])cc1C ZINC000909692163 727367437 /nfs/dbraw/zinc/36/74/37/727367437.db2.gz BJETXBGLYYZXAI-HNNXBMFYSA-N -1 0 328.368 2.726 10 0 EFAERM CCCOc1ccc2c(c1)CCN(C(=O)c1csc(C(=O)[O-])n1)C2 ZINC000909728947 727370088 /nfs/dbraw/zinc/37/00/88/727370088.db2.gz IKAACLRZFJVEII-UHFFFAOYSA-N -1 0 346.408 2.829 10 0 EFAERM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000909731629 727370863 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2.988 10 0 EFAERM CC(C)C[C@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)n1ccnc1 ZINC000909786423 727377644 /nfs/dbraw/zinc/37/76/44/727377644.db2.gz PNJUOYOEXBJSFP-MRXNPFEDSA-N -1 0 345.399 2.597 10 0 EFAERM Cc1nc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])co1 ZINC000909788221 727378133 /nfs/dbraw/zinc/37/81/33/727378133.db2.gz GUTXYFQJPMMNOK-HIFRSBDPSA-N -1 0 328.368 2.676 10 0 EFAERM CCn1nccc1C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909789715 727378476 /nfs/dbraw/zinc/37/84/76/727378476.db2.gz METUJGOODNVKGR-HOCLYGCPSA-N -1 0 341.411 2.596 10 0 EFAERM CCn1nccc1C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909789713 727378499 /nfs/dbraw/zinc/37/84/99/727378499.db2.gz METUJGOODNVKGR-GDBMZVCRSA-N -1 0 341.411 2.596 10 0 EFAERM O=C(/C=C\[C@@H]1CCOC1)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909789965 727378572 /nfs/dbraw/zinc/37/85/72/727378572.db2.gz NQCHCCMVUUJKRK-FQLJIQHWSA-N -1 0 343.423 2.659 10 0 EFAERM Cc1nc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c(C)o1 ZINC000909791835 727378899 /nfs/dbraw/zinc/37/88/99/727378899.db2.gz VTLYDVXUKZROAP-ZBFHGGJFSA-N -1 0 342.395 2.985 10 0 EFAERM Cc1cc([C@@H](NC(=O)CC[C@H]2CC(C)(C)CO2)C(=O)[O-])ccc1F ZINC000909792853 727379233 /nfs/dbraw/zinc/37/92/33/727379233.db2.gz ANPOLDHFFUBLNH-XJKSGUPXSA-N -1 0 337.391 2.971 10 0 EFAERM Cc1cc([C@@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)C(=O)[O-])ccc1F ZINC000909793482 727379323 /nfs/dbraw/zinc/37/93/23/727379323.db2.gz BYNOCOKXJYUIKH-HZPDHXFCSA-N -1 0 347.390 2.860 10 0 EFAERM CC(C)(C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1)c1nccs1 ZINC000909828200 727380350 /nfs/dbraw/zinc/38/03/50/727380350.db2.gz CHYOYDQFNGDOMN-KBPBESRZSA-N -1 0 344.436 2.748 10 0 EFAERM CCC[C@H](CNC(=O)c1noc2c1CCc1ccccc1-2)C(=O)[O-] ZINC000909808599 727381947 /nfs/dbraw/zinc/38/19/47/727381947.db2.gz KBWYNCOUBBNHLT-GFCCVEGCSA-N -1 0 328.368 2.671 10 0 EFAERM CCC[C@H](CNC(=O)Cc1nc(-c2ccco2)c(C)s1)C(=O)[O-] ZINC000909812109 727382510 /nfs/dbraw/zinc/38/25/10/727382510.db2.gz QBYSKJKIWFVASI-LLVKDONJSA-N -1 0 336.413 2.871 10 0 EFAERM Cc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c(C)n1C ZINC000909813290 727382665 /nfs/dbraw/zinc/38/26/65/727382665.db2.gz JTPWKYUMJJZTPG-HNNXBMFYSA-N -1 0 334.803 2.721 10 0 EFAERM CC1(C)CO[C@@H](CCC(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)C1 ZINC000909831327 727382674 /nfs/dbraw/zinc/38/26/74/727382674.db2.gz TUHXSFUFBVYXKK-ULQDDVLXSA-N -1 0 345.439 2.909 10 0 EFAERM CC(C)(C)C[C@H](O)CC(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000909814701 727382854 /nfs/dbraw/zinc/38/28/54/727382854.db2.gz AFWDRBUSJSVQPY-ZIAGYGMSSA-N -1 0 341.835 2.639 10 0 EFAERM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000909814674 727382942 /nfs/dbraw/zinc/38/29/42/727382942.db2.gz QSFCMQPGJPCIIT-OTYXRUKQSA-N -1 0 349.818 2.596 10 0 EFAERM Cc1nsc(C)c1C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000909816008 727383033 /nfs/dbraw/zinc/38/30/33/727383033.db2.gz NLHXGSHFAWNBQX-GFCCVEGCSA-N -1 0 338.816 2.839 10 0 EFAERM COCCC[C@H](C)C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000909815690 727383115 /nfs/dbraw/zinc/38/31/15/727383115.db2.gz JCFBKGJNXATOGF-SMDDNHRTSA-N -1 0 327.808 2.515 10 0 EFAERM C[C@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909818818 727383717 /nfs/dbraw/zinc/38/37/17/727383717.db2.gz HSFQRDZDZDSGAF-LRDDRELGSA-N -1 0 342.395 2.543 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000909819309 727383729 /nfs/dbraw/zinc/38/37/29/727383729.db2.gz NQHQMBTUOZWSQS-CRAIPNDOSA-N -1 0 333.432 2.735 10 0 EFAERM CSCCCCC(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000909819128 727383787 /nfs/dbraw/zinc/38/37/87/727383787.db2.gz IMOXXBNQHGWVCH-UHFFFAOYSA-N -1 0 339.461 2.587 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC000909820415 727384104 /nfs/dbraw/zinc/38/41/04/727384104.db2.gz PAXPLAFUSSPPIN-AWEZNQCLSA-N -1 0 331.416 2.800 10 0 EFAERM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000909853469 727385696 /nfs/dbraw/zinc/38/56/96/727385696.db2.gz CPBNPXUQFXJBSO-RFXRPKLXSA-N -1 0 345.464 2.916 10 0 EFAERM Cc1ccccc1[C@]1(F)CCN(C(=O)CCSCC(=O)[O-])C1 ZINC000909855242 727385963 /nfs/dbraw/zinc/38/59/63/727385963.db2.gz MCWRGHNFKOJUKZ-INIZCTEOSA-N -1 0 325.405 2.600 10 0 EFAERM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000909855766 727386069 /nfs/dbraw/zinc/38/60/69/727386069.db2.gz ULLOWGAXVSFTNZ-LBPRGKRZSA-N -1 0 332.322 2.601 10 0 EFAERM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccnn2C2CCOCC2)cc1 ZINC000909835185 727387278 /nfs/dbraw/zinc/38/72/78/727387278.db2.gz DZJXRASBPFBNQG-LBPRGKRZSA-N -1 0 343.383 2.675 10 0 EFAERM CC(C)(C)C[C@@H](O)CC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000909836103 727387469 /nfs/dbraw/zinc/38/74/69/727387469.db2.gz KLTZVLGMZAUQSW-JYJNAYRXSA-N -1 0 333.428 2.500 10 0 EFAERM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000909845105 727389322 /nfs/dbraw/zinc/38/93/22/727389322.db2.gz ZYSFWMYJSKUDFI-INIZCTEOSA-N -1 0 331.397 2.532 10 0 EFAERM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000909845107 727389405 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349.427 2.539 10 0 EFAERM C[C@]1(Br)C[C@H]1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000910474387 727444733 /nfs/dbraw/zinc/44/47/33/727444733.db2.gz ZPESLXDEJNTJMM-OHTBPHCPSA-N -1 0 338.201 2.589 10 0 EFAERM Cc1cc(C(F)F)oc1C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC000910482251 727445334 /nfs/dbraw/zinc/44/53/34/727445334.db2.gz PSUGTTQOWQVCLP-GFCCVEGCSA-N -1 0 339.294 2.788 10 0 EFAERM CC(C)(C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-])c1ccccc1F ZINC000910481507 727445396 /nfs/dbraw/zinc/44/53/96/727445396.db2.gz DCPVSERJPOTNHD-MRXNPFEDSA-N -1 0 345.370 2.752 10 0 EFAERM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C1CC1)Oc1ccccc1 ZINC000910482793 727445446 /nfs/dbraw/zinc/44/54/46/727445446.db2.gz WMNQHVVHOIDOSP-BRWVUGGUSA-N -1 0 331.412 2.851 10 0 EFAERM CCc1ccc(C(C)(C)C(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)cc1 ZINC000910483767 727445603 /nfs/dbraw/zinc/44/56/03/727445603.db2.gz ZEMTXHDYYAPGQE-CHWSQXEVSA-N -1 0 325.355 2.609 10 0 EFAERM Cc1ccc(C(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)cc1C(F)(F)F ZINC000910484454 727445623 /nfs/dbraw/zinc/44/56/23/727445623.db2.gz KDEUDYSBFVJYIB-NXEZZACHSA-N -1 0 337.244 2.710 10 0 EFAERM C[C@@H](CC(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1c[nH]c2ccccc21 ZINC000910485793 727445716 /nfs/dbraw/zinc/44/57/16/727445716.db2.gz BBBGGNQXLMMPMD-TURKWSHLSA-N -1 0 336.338 2.744 10 0 EFAERM Cc1ccc(-c2cncc(C(=O)NC[C@@H]3[C@H](C(=O)[O-])C3(F)F)c2)cc1 ZINC000910486209 727445862 /nfs/dbraw/zinc/44/58/62/727445862.db2.gz ODUAEMXFLPCZIA-HUUCEWRRSA-N -1 0 346.333 2.753 10 0 EFAERM CC[C@H](C)Oc1ccc(C(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)cc1 ZINC000910486472 727445877 /nfs/dbraw/zinc/44/58/77/727445877.db2.gz IZHIHUJASBGGRM-ZWKOPEQDSA-N -1 0 327.327 2.560 10 0 EFAERM Cc1cccc2c(N[C@H]3CCOC4(CC(C(=O)[O-])C4)C3)ncnc12 ZINC000910488350 727445941 /nfs/dbraw/zinc/44/59/41/727445941.db2.gz QQWNFQXKRWLKSQ-XYEKJYRLSA-N -1 0 327.384 2.763 10 0 EFAERM C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000910491148 727446188 /nfs/dbraw/zinc/44/61/88/727446188.db2.gz HFNMPSWVMMYWMQ-WHGOUJPWSA-N -1 0 349.786 2.903 10 0 EFAERM CSc1ccc(Cl)c(C(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)c1 ZINC000910491185 727446208 /nfs/dbraw/zinc/44/62/08/727446208.db2.gz IBGCSMOFAKNJHR-PSASIEDQSA-N -1 0 335.759 2.758 10 0 EFAERM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000910491147 727446218 /nfs/dbraw/zinc/44/62/18/727446218.db2.gz HFNMPSWVMMYWMQ-AVPPRXQKSA-N -1 0 349.786 2.903 10 0 EFAERM Cc1ccn2cc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])nc2c1 ZINC000910509246 727446277 /nfs/dbraw/zinc/44/62/77/727446277.db2.gz MLINZEJODKOWPQ-UHFFFAOYSA-N -1 0 331.416 2.852 10 0 EFAERM COCc1nc(C)c(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])s1 ZINC000910510096 727446284 /nfs/dbraw/zinc/44/62/84/727446284.db2.gz CXIRVHCBXBGYPC-UHFFFAOYSA-N -1 0 342.461 2.807 10 0 EFAERM C[C@@H]1CC[C@H](CCC(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])O1 ZINC000910509139 727446314 /nfs/dbraw/zinc/44/63/14/727446314.db2.gz KOKMPDCEEOCONC-CDHAZOANSA-N -1 0 337.391 2.675 10 0 EFAERM Cc1[nH]nc2nc(C)cc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c12 ZINC000910509971 727446325 /nfs/dbraw/zinc/44/63/25/727446325.db2.gz AURJXAYBFUFCDO-UHFFFAOYSA-N -1 0 346.431 2.784 10 0 EFAERM C[C@@](Cc1ccc(F)cc1)(NC(=O)[C@@H]1COc2ccccc21)C(=O)[O-] ZINC000910510020 727446349 /nfs/dbraw/zinc/44/63/49/727446349.db2.gz URYIMMXJDWCPRL-BEFAXECRSA-N -1 0 343.354 2.504 10 0 EFAERM Cc1cc2ncc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c(C)n2n1 ZINC000910509576 727446354 /nfs/dbraw/zinc/44/63/54/727446354.db2.gz QMBYGFYXUIWLID-UHFFFAOYSA-N -1 0 346.431 2.555 10 0 EFAERM CCc1nc(CC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cs1 ZINC000910510474 727446416 /nfs/dbraw/zinc/44/64/16/727446416.db2.gz ZNWVFCNRBOFIDJ-UHFFFAOYSA-N -1 0 326.462 2.843 10 0 EFAERM Cc1cnc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])cc1C ZINC000910511076 727446585 /nfs/dbraw/zinc/44/65/85/727446585.db2.gz BMIADKNXLJQJDQ-GOSISDBHSA-N -1 0 330.359 2.653 10 0 EFAERM Cc1cc(C(=O)NC[C@@H]2CCC3(CCC3)O2)cc(C)c1OCC(=O)[O-] ZINC000910513321 727446823 /nfs/dbraw/zinc/44/68/23/727446823.db2.gz KGDVZSGEBLUJQV-HNNXBMFYSA-N -1 0 347.411 2.598 10 0 EFAERM C[C@](Cc1ccc(F)cc1)(NC(=O)[C@H]1CCOC2(CCC2)C1)C(=O)[O-] ZINC000910513553 727446836 /nfs/dbraw/zinc/44/68/36/727446836.db2.gz QQQRCJGFQUECEP-KBXCAEBGSA-N -1 0 349.402 2.677 10 0 EFAERM O=C([O-])c1cn(CC(=O)N[C@@H]2CCC[C@]23CCCO3)c2ccccc12 ZINC000910513358 727446853 /nfs/dbraw/zinc/44/68/53/727446853.db2.gz KUGNOKWOUJLIGC-APWZRJJASA-N -1 0 342.395 2.557 10 0 EFAERM CSc1cc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])co1 ZINC000910514313 727446897 /nfs/dbraw/zinc/44/68/97/727446897.db2.gz WPSAIWHQRHMDQP-MRXNPFEDSA-N -1 0 337.372 2.956 10 0 EFAERM CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)c1 ZINC000910493418 727447313 /nfs/dbraw/zinc/44/73/13/727447313.db2.gz ZRQITKAWPFKDHF-ZLKJLUDKSA-N -1 0 341.354 2.659 10 0 EFAERM Cc1ccc(SCCC(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)cc1C ZINC000910492788 727447379 /nfs/dbraw/zinc/44/73/79/727447379.db2.gz UZYRXOSYERTKBQ-TZMCWYRMSA-N -1 0 343.395 2.868 10 0 EFAERM CC[C@H](CC(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1ccc(C)cc1 ZINC000910498821 727447564 /nfs/dbraw/zinc/44/75/64/727447564.db2.gz DPYIDTIGNUYDFU-UXIGCNINSA-N -1 0 325.355 2.961 10 0 EFAERM CCC(CC)(C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1ccccc1 ZINC000910500626 727447748 /nfs/dbraw/zinc/44/77/48/727447748.db2.gz OVFCOPTWWYRPGD-CHWSQXEVSA-N -1 0 325.355 2.827 10 0 EFAERM CCCOc1ccc(Cl)cc1C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000910500307 727447775 /nfs/dbraw/zinc/44/77/75/727447775.db2.gz LTTZBWHTOFFLAL-ZYHUDNBSSA-N -1 0 347.745 2.825 10 0 EFAERM CC(C)(Oc1cccc(Cl)c1)C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000910500687 727447801 /nfs/dbraw/zinc/44/78/01/727447801.db2.gz QCDSOQLEMIBLHX-GHMZBOCLSA-N -1 0 347.745 2.580 10 0 EFAERM CCOc1cc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)ccc1OCC(=O)[O-] ZINC000910503599 727448050 /nfs/dbraw/zinc/44/80/50/727448050.db2.gz FJKPJBPUKBCHNV-AEGPPILISA-N -1 0 347.411 2.857 10 0 EFAERM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H]1C[C@]1(C)Br ZINC000910505881 727448304 /nfs/dbraw/zinc/44/83/04/727448304.db2.gz AYXZDQOURZCAGS-HZMBPMFUSA-N -1 0 334.254 2.755 10 0 EFAERM C[C@]1(c2ccccc2)CCCN1C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000910505357 727448328 /nfs/dbraw/zinc/44/83/28/727448328.db2.gz ITQSEFJDAMXJQS-LJQANCHMSA-N -1 0 341.411 2.899 10 0 EFAERM CO[C@@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1ccc(O)cc1 ZINC000910506285 727448337 /nfs/dbraw/zinc/44/83/37/727448337.db2.gz GBMCTEWVOGMAOC-OAHLLOKOSA-N -1 0 337.416 2.675 10 0 EFAERM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000910507995 727448486 /nfs/dbraw/zinc/44/84/86/727448486.db2.gz UUEVMDHLFYZZET-TZMCWYRMSA-N -1 0 335.448 2.671 10 0 EFAERM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H](C)OCc1ccncc1 ZINC000910507535 727448569 /nfs/dbraw/zinc/44/85/69/727448569.db2.gz OGGMXKKTMYJRPS-CQSZACIVSA-N -1 0 336.432 2.582 10 0 EFAERM CC[C@@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)C[C@@]1(F)C(=O)[O-] ZINC000910553863 727448646 /nfs/dbraw/zinc/44/86/46/727448646.db2.gz STFHCLCVUNIYJS-PXAZEXFGSA-N -1 0 334.322 2.649 10 0 EFAERM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc([S@@](C)=O)cc1 ZINC000910508547 727448676 /nfs/dbraw/zinc/44/86/76/727448676.db2.gz APSHHFPOUYNKFA-HSZRJFAPSA-N -1 0 339.457 2.633 10 0 EFAERM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)Cc1ccc2c(c1)OCCO2 ZINC000910508642 727448693 /nfs/dbraw/zinc/44/86/93/727448693.db2.gz DBDRIERSXRPBFI-UHFFFAOYSA-N -1 0 349.427 2.596 10 0 EFAERM CC(C)C[C@@H](C(=O)N1CC[C@@](O)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000910524001 727448737 /nfs/dbraw/zinc/44/87/37/727448737.db2.gz ZHNHBXBJYYIBDZ-PBHICJAKSA-N -1 0 339.819 2.518 10 0 EFAERM CC[C@@H]1CN(C(=O)CCCc2ccc(O)c(F)c2)C[C@@]1(F)C(=O)[O-] ZINC000910554184 727449072 /nfs/dbraw/zinc/44/90/72/727449072.db2.gz UDSSODBYXUACEW-PXAZEXFGSA-N -1 0 341.354 2.515 10 0 EFAERM C[C@H]1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)[C@H]1c1ccccc1 ZINC000910545761 727449648 /nfs/dbraw/zinc/44/96/48/727449648.db2.gz ZYYSEJKZWKEUQF-KBXCAEBGSA-N -1 0 341.411 2.971 10 0 EFAERM CSC1(CNC(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)CCCCC1 ZINC000910543709 727449661 /nfs/dbraw/zinc/44/96/61/727449661.db2.gz WJEYKUIJNFCRJL-OLZOCXBDSA-N -1 0 329.462 2.581 10 0 EFAERM CC[C@@H]1CN(C(=O)Cc2c(Cl)cccc2OC)C[C@@]1(F)C(=O)[O-] ZINC000910546283 727449756 /nfs/dbraw/zinc/44/97/56/727449756.db2.gz ILWXXCZGARVZQO-HWPZZCPQSA-N -1 0 343.782 2.552 10 0 EFAERM CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)C[C@@]1(F)C(=O)[O-] ZINC000910546846 727449815 /nfs/dbraw/zinc/44/98/15/727449815.db2.gz HOHHPBFOAFKEHL-TXPWEPMLSA-N -1 0 337.366 2.981 10 0 EFAERM CCCOc1cccc(CC(=O)N2C[C@@H](CC)[C@](F)(C(=O)[O-])C2)c1 ZINC000910546152 727449816 /nfs/dbraw/zinc/44/98/16/727449816.db2.gz HNSYUTZLQZYDQV-KDOFPFPSSA-N -1 0 337.391 2.679 10 0 EFAERM CC[C@@H]1CN(C(=O)[C@H]2C[C@]23CCc2ccccc23)C[C@@]1(F)C(=O)[O-] ZINC000910547411 727449895 /nfs/dbraw/zinc/44/98/95/727449895.db2.gz XUKPZSKRPJVFQX-MDUILUSMSA-N -1 0 331.387 2.552 10 0 EFAERM CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)C[C@@]1(F)C(=O)[O-] ZINC000910547207 727449934 /nfs/dbraw/zinc/44/99/34/727449934.db2.gz 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CC[C@@H]1CN(C(=O)[C@H](C)OC2CCCCCC2)C[C@@]1(F)C(=O)[O-] ZINC000910553679 727450211 /nfs/dbraw/zinc/45/02/11/727450211.db2.gz DIJUZHDMYNGXJZ-AHIWAGSCSA-N -1 0 329.412 2.776 10 0 EFAERM CC[C@@H]1CN(C(=O)c2cc(Cl)cc(OC)c2)C[C@@]1(F)C(=O)[O-] ZINC000910551984 727450223 /nfs/dbraw/zinc/45/02/23/727450223.db2.gz ATBVHJIWJKTHDL-BMIGLBTASA-N -1 0 329.755 2.624 10 0 EFAERM CC[C@@H]1CN(C(=O)[C@@H]2SCCc3ccccc32)C[C@@]1(F)C(=O)[O-] ZINC000910552950 727450258 /nfs/dbraw/zinc/45/02/58/727450258.db2.gz XCEKTGHMDBLJDP-MRRJBJDNSA-N -1 0 337.416 2.678 10 0 EFAERM CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C[C@@]1(F)C(=O)[O-] ZINC000910551953 727450259 /nfs/dbraw/zinc/45/02/59/727450259.db2.gz KTHHIMYNUNISJR-NUXYAOMOSA-N -1 0 341.329 2.730 10 0 EFAERM CC[C@@H]1CN(C(=O)Cc2c[nH]c3c2cccc3C)C[C@@]1(F)C(=O)[O-] ZINC000910552240 727450277 /nfs/dbraw/zinc/45/02/77/727450277.db2.gz QHPHCTVHTIEECQ-ACJLOTCBSA-N -1 0 332.375 2.680 10 0 EFAERM CC[C@@H]1CN(C(=O)Cc2cc(Cl)ccc2OC)C[C@@]1(F)C(=O)[O-] ZINC000910551968 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CC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c(Cl)c1 ZINC000562999601 478409111 /nfs/dbraw/zinc/40/91/11/478409111.db2.gz FULCSQWBMIKNGJ-LLVKDONJSA-N -1 0 349.822 2.660 10 0 EFAERM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cc1CC ZINC000570660265 478412095 /nfs/dbraw/zinc/41/20/95/478412095.db2.gz QODXKRJACZONEP-MRXNPFEDSA-N -1 0 334.416 2.813 10 0 EFAERM CCNC(=O)c1ccc(=N[C@H]2CCCOc3cc(Cl)ccc32)[n-]n1 ZINC000539393045 478412968 /nfs/dbraw/zinc/41/29/68/478412968.db2.gz MMGAGOKJHGEQAS-ZDUSSCGKSA-N -1 0 346.818 2.627 10 0 EFAERM CN1CCC[C@H](NC(=O)N=c2ncn(C(C)(C)C)[n-]2)c2ccccc21 ZINC000581709445 478423917 /nfs/dbraw/zinc/42/39/17/478423917.db2.gz NVLIGWFFMBBXLP-AWEZNQCLSA-N -1 0 342.447 2.548 10 0 EFAERM Cn1nc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c2c1CCCC2 ZINC000581766696 478437827 /nfs/dbraw/zinc/43/78/27/478437827.db2.gz IRMCVKVNSJPLOE-UHFFFAOYSA-N -1 0 345.453 2.553 10 0 EFAERM C[C@H](NC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1-n1cccn1 ZINC000581780665 478441737 /nfs/dbraw/zinc/44/17/37/478441737.db2.gz 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O=C([O-])CN(Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CCC1 ZINC000655933683 546646835 /nfs/dbraw/zinc/64/68/35/546646835.db2.gz RJWCHJALQDIWDC-UHFFFAOYSA-N -1 0 327.340 2.521 10 0 EFAERM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN(CC(=O)[O-])C1CCC1 ZINC000655936013 546648395 /nfs/dbraw/zinc/64/83/95/546648395.db2.gz YFAUSZLVKSPLJO-HNNXBMFYSA-N -1 0 344.455 2.753 10 0 EFAERM Cc1cc(C)n(-c2ccc(N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)nn2)n1 ZINC000656091301 546676091 /nfs/dbraw/zinc/67/60/91/546676091.db2.gz BOCZNPUBEORREZ-MELADBBJSA-N -1 0 343.431 2.826 10 0 EFAERM C[C@H](Nc1ccc2nnc(C(C)(C)C)n2n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092589 546676911 /nfs/dbraw/zinc/67/69/11/546676911.db2.gz OZJPXSQPCRSSJI-SDDRHHMPSA-N -1 0 345.447 2.969 10 0 EFAERM C[C@H]1CCN(c2nccc(N3CCCC(C)(C)C3)n2)C[C@@H]1C(=O)[O-] ZINC000656093975 546677101 /nfs/dbraw/zinc/67/71/01/546677101.db2.gz MBIDDISIARTOJI-KBPBESRZSA-N -1 0 332.448 2.650 10 0 EFAERM C[C@H](Nc1ccc2nnc([C@@H]3C[C@H]3C)n2n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656093708 546677229 /nfs/dbraw/zinc/67/72/29/546677229.db2.gz XXPQBZYIVHSGEP-RXGFPQBGSA-N -1 0 343.431 2.795 10 0 EFAERM CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000656160808 546704039 /nfs/dbraw/zinc/70/40/39/546704039.db2.gz NYUYIQSESATRGM-MFKMUULPSA-N -1 0 331.821 2.665 10 0 EFAERM O=C([O-])CC[C@H]1CCCN1S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000656162204 546704336 /nfs/dbraw/zinc/70/43/36/546704336.db2.gz PRDOYTCQIDXPPU-CQSZACIVSA-N -1 0 345.848 2.542 10 0 EFAERM C[C@@H](C[C@@H]1CCCCN1S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000656167276 546706005 /nfs/dbraw/zinc/70/60/05/546706005.db2.gz CTSRGTQVNMCOSM-QWRGUYRKSA-N -1 0 347.383 2.619 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[C@@H](C)C(=O)[O-])cc1 ZINC000656168336 546706071 /nfs/dbraw/zinc/70/60/71/546706071.db2.gz HADFROVWAUKFHZ-ZIAGYGMSSA-N -1 0 325.430 2.649 10 0 EFAERM C[C@H](C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000656168822 546706099 /nfs/dbraw/zinc/70/60/99/546706099.db2.gz JHNGQGSZWSECIP-DGCLKSJQSA-N -1 0 345.848 2.994 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[C@@H](C)C(=O)[O-])s1 ZINC000656168221 546706219 /nfs/dbraw/zinc/70/62/19/546706219.db2.gz GEDUUOXXBOHVEE-ZYHUDNBSSA-N -1 0 331.459 2.711 10 0 EFAERM Cc1ccccc1S(=O)(=O)N1CCCC[C@H]1C[C@H](C)C(=O)[O-] ZINC000656170657 546706567 /nfs/dbraw/zinc/70/65/67/546706567.db2.gz QYGSFSOQKIANDZ-KBPBESRZSA-N -1 0 325.430 2.649 10 0 EFAERM C[C@H](C[C@@H]1CCCCN1S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000656171074 546707471 /nfs/dbraw/zinc/70/74/71/546707471.db2.gz UZAFJYQRYQQPAI-MFKMUULPSA-N -1 0 347.383 2.619 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[C@H](C)C(=O)[O-])cc1C ZINC000656170822 546707556 /nfs/dbraw/zinc/70/75/56/546707556.db2.gz SASYVWCIGMBDIT-LSDHHAIUSA-N -1 0 339.457 2.957 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[C@@H](C)C(=O)[O-])cc1C ZINC000656170821 546707750 /nfs/dbraw/zinc/70/77/50/546707750.db2.gz SASYVWCIGMBDIT-HUUCEWRRSA-N -1 0 339.457 2.957 10 0 EFAERM C[C@H](C[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1)C(=O)[O-] ZINC000656173491 546708281 /nfs/dbraw/zinc/70/82/81/546708281.db2.gz JUILUGCZLAYDQB-DOMZBBRYSA-N -1 0 343.420 2.621 10 0 EFAERM CCc1cccc(S(=O)(=O)N2CCCC[C@H]2C[C@H](C)C(=O)[O-])c1 ZINC000656173890 546708352 /nfs/dbraw/zinc/70/83/52/546708352.db2.gz NHFRQKDUKPSWEZ-ZFWWWQNUSA-N -1 0 339.457 2.903 10 0 EFAERM Cc1cccc(CS(=O)(=O)N2CCCC[C@H]2C[C@H](C)C(=O)[O-])c1 ZINC000656173211 546708560 /nfs/dbraw/zinc/70/85/60/546708560.db2.gz GVQNOHKHHFGOMZ-HOCLYGCPSA-N -1 0 339.457 2.790 10 0 EFAERM CCc1ccc(S(=O)(=O)N2CCC[C@@H](C[C@H](C)C(=O)[O-])C2)s1 ZINC000656172375 546708789 /nfs/dbraw/zinc/70/87/89/546708789.db2.gz ZFTJCWVXDPOCDF-RYUDHWBXSA-N -1 0 345.486 2.822 10 0 EFAERM Cc1csc(S(=O)(=O)N2CCCC[C@@H]2C[C@@H](C)C(=O)[O-])c1 ZINC000656174334 546709116 /nfs/dbraw/zinc/70/91/16/546709116.db2.gz RAJVXOYYNICONE-VXGBXAGGSA-N -1 0 331.459 2.711 10 0 EFAERM COc1cccc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)c1F ZINC000656183363 546711975 /nfs/dbraw/zinc/71/19/75/546711975.db2.gz BPHYUYZICOLVOY-UHFFFAOYSA-N -1 0 337.376 2.611 10 0 EFAERM Cc1cccc(F)c1S(=O)(=O)[N-]c1cncc(OC(C)C)n1 ZINC000656187123 546713877 /nfs/dbraw/zinc/71/38/77/546713877.db2.gz MJGYGRAUMPJURV-UHFFFAOYSA-N -1 0 325.365 2.512 10 0 EFAERM CC(C)Oc1cncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)n1 ZINC000656186475 546714135 /nfs/dbraw/zinc/71/41/35/546714135.db2.gz BLLVDJUTAXJRFI-UHFFFAOYSA-N -1 0 341.820 2.859 10 0 EFAERM Cc1cc(C)c(S(=O)(=O)[N-]c2cncc(OC(C)C)n2)s1 ZINC000656186694 546714277 /nfs/dbraw/zinc/71/42/77/546714277.db2.gz NTALVTHTJMXUJK-UHFFFAOYSA-N -1 0 327.431 2.743 10 0 EFAERM Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000656232802 546734002 /nfs/dbraw/zinc/73/40/02/546734002.db2.gz ZADWWLIWDOGIDW-CQSZACIVSA-N -1 0 340.379 2.576 10 0 EFAERM Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000656232798 546734484 /nfs/dbraw/zinc/73/44/84/546734484.db2.gz ZADWWLIWDOGIDW-AWEZNQCLSA-N -1 0 340.379 2.576 10 0 EFAERM Cc1cccc(C[C@H](CNC(=O)c2ccn(C(C)(C)C)n2)C(=O)[O-])c1 ZINC000656235316 546734848 /nfs/dbraw/zinc/73/48/48/546734848.db2.gz HKVJCHZJBWULNW-OAHLLOKOSA-N -1 0 343.427 2.620 10 0 EFAERM CC(C)(C)[C@@H](NC(=O)C[C@H]1OCc2cc(Cl)ccc21)C(=O)[O-] ZINC000656234506 546734857 /nfs/dbraw/zinc/73/48/57/546734857.db2.gz KDMPXWMOEZGPIL-OCCSQVGLSA-N -1 0 325.792 2.917 10 0 EFAERM CC[C@H](C)c1nc(C)c(CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c(C)n1 ZINC000656234140 546734930 /nfs/dbraw/zinc/73/49/30/546734930.db2.gz AVXXAXPDJVRFMQ-BONVTDFDSA-N -1 0 335.448 2.765 10 0 EFAERM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)C[C@@H]1OCc2ccccc21 ZINC000656235261 546735424 /nfs/dbraw/zinc/73/54/24/546735424.db2.gz ZXOBRCVZLPVXFR-YOEHRIQHSA-N -1 0 349.427 2.624 10 0 EFAERM Cc1ccc([C@H](CNC(=O)c2ccn(C(C)(C)C)n2)C(=O)[O-])cc1 ZINC000656235970 546735888 /nfs/dbraw/zinc/73/58/88/546735888.db2.gz ZLMQIWWCOSJDCK-AWEZNQCLSA-N -1 0 329.400 2.545 10 0 EFAERM Cc1ccc([C@@H](CNC(=O)c2ccn(C(C)(C)C)n2)C(=O)[O-])cc1 ZINC000656235974 546736130 /nfs/dbraw/zinc/73/61/30/546736130.db2.gz ZLMQIWWCOSJDCK-CQSZACIVSA-N -1 0 329.400 2.545 10 0 EFAERM Cc1ccc(C2(C(=O)N[C@@H](C)CCC(=O)[O-])CCOCC2)cc1C ZINC000656237193 546737047 /nfs/dbraw/zinc/73/70/47/546737047.db2.gz KWEIJQFXJURXEM-HNNXBMFYSA-N -1 0 333.428 2.721 10 0 EFAERM C[C@H](CN(C(=O)c1ccc(OCC(F)(F)F)o1)C1CC1)C(=O)[O-] ZINC000656239219 546737827 /nfs/dbraw/zinc/73/78/27/546737827.db2.gz WMOZWTFXYKMTIG-MRVPVSSYSA-N -1 0 335.278 2.546 10 0 EFAERM Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000656243922 546740174 /nfs/dbraw/zinc/74/01/74/546740174.db2.gz HTNOTCHDYJXKCE-YGRLFVJLSA-N -1 0 328.368 2.574 10 0 EFAERM CC(C)(C)n1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)n1 ZINC000656242296 546740324 /nfs/dbraw/zinc/74/03/24/546740324.db2.gz PNCZCCQZEPHSBF-GOSISDBHSA-N -1 0 347.390 2.897 10 0 EFAERM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(OCC(F)(F)F)o2)C1 ZINC000656242394 546740339 /nfs/dbraw/zinc/74/03/39/546740339.db2.gz QYZNEVVEXVIDJT-CQSZACIVSA-N -1 0 349.305 2.794 10 0 EFAERM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(OCC(F)(F)F)o1 ZINC000656242962 546740518 /nfs/dbraw/zinc/74/05/18/546740518.db2.gz WAJLIJCGDOXUQR-SBMIAAHKSA-N -1 0 347.289 2.546 10 0 EFAERM CC(C)(C)n1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)n1 ZINC000656242299 546740788 /nfs/dbraw/zinc/74/07/88/546740788.db2.gz PNCZCCQZEPHSBF-SFHVURJKSA-N -1 0 347.390 2.897 10 0 EFAERM CC(C)(C)n1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)n1 ZINC000656249948 546744286 /nfs/dbraw/zinc/74/42/86/546744286.db2.gz CDARYTRWGZBAKN-KRWDZBQOSA-N -1 0 333.363 2.507 10 0 EFAERM Cc1cc(C)cc([C@@H](NC(=O)c2ccn(C(C)(C)C)n2)C(=O)[O-])c1 ZINC000656250592 546746139 /nfs/dbraw/zinc/74/61/39/546746139.db2.gz IDBUNKOGOPXQQW-OAHLLOKOSA-N -1 0 329.400 2.811 10 0 EFAERM CSc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)cc1Cl ZINC000656478391 546813336 /nfs/dbraw/zinc/81/33/36/546813336.db2.gz AWLFFHQEMQBXCC-AWEZNQCLSA-N -1 0 329.805 2.882 10 0 EFAERM CC(C)Oc1c(Cl)cccc1NC(=O)C[C@@]1(C(=O)[O-])CCOC1 ZINC000656479641 546814350 /nfs/dbraw/zinc/81/43/50/546814350.db2.gz HXNPPKCCRCNYQK-INIZCTEOSA-N -1 0 341.791 2.947 10 0 EFAERM COc1ccccc1[C@H](CC(C)C)NC(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000656480049 546814524 /nfs/dbraw/zinc/81/45/24/546814524.db2.gz KUQBUDGUFHEMOK-HNAYVOBHSA-N -1 0 349.427 2.780 10 0 EFAERM CCC(C)(C)c1ccc(CNC(=O)C[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000656479663 546814529 /nfs/dbraw/zinc/81/45/29/546814529.db2.gz ILZRPELBCGRBFA-IBGZPJMESA-N -1 0 333.428 2.872 10 0 EFAERM CC(C)(C)C(=O)c1ccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000656480079 546814548 /nfs/dbraw/zinc/81/45/48/546814548.db2.gz LTSFPJSOZFOQJE-GOSISDBHSA-N -1 0 333.384 2.735 10 0 EFAERM COc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000656480048 546814689 /nfs/dbraw/zinc/81/46/89/546814689.db2.gz KUQBUDGUFHEMOK-DNVCBOLYSA-N -1 0 349.427 2.780 10 0 EFAERM CC(C)Oc1ccccc1[C@@H](C)NC(=O)C[C@@]1(C(=O)[O-])CCOC1 ZINC000656482057 546815025 /nfs/dbraw/zinc/81/50/25/546815025.db2.gz VOESXJFTRASINY-ACJLOTCBSA-N -1 0 335.400 2.532 10 0 EFAERM CC(C)Oc1cccc([C@@H](C)NC(=O)C[C@]2(C(=O)[O-])CCOC2)c1 ZINC000656480425 546815035 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/nfs/dbraw/zinc/74/57/70/1301745770.db2.gz MAVWXJHUIVULHN-UHFFFAOYSA-N -1 0 342.264 2.574 10 0 EFAERM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OCc2ccccc2C)c1 ZINC000860448479 1301808172 /nfs/dbraw/zinc/80/81/72/1301808172.db2.gz RQQNAJJYODORQZ-OAHLLOKOSA-N -1 0 347.436 2.714 10 0 EFAERM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000860447261 1301808848 /nfs/dbraw/zinc/80/88/48/1301808848.db2.gz GTTIBNRSCDZQLW-SSDOTTSWSA-N -1 0 329.727 2.733 10 0 EFAERM C[C@H]1CCN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C[C@H]1C ZINC000860511160 1301831482 /nfs/dbraw/zinc/83/14/82/1301831482.db2.gz UBFNVOCVJHHRHB-VHSXEESVSA-N -1 0 332.322 2.576 10 0 EFAERM CCO[C@H](C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C)C(C)C ZINC000860789721 1301921575 /nfs/dbraw/zinc/92/15/75/1301921575.db2.gz JDKSKCLGGDRJQH-HOTGVXAUSA-N -1 0 341.473 2.891 10 0 EFAERM Cc1cc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)C(F)(F)F)s1 ZINC000860803086 1301928544 /nfs/dbraw/zinc/92/85/44/1301928544.db2.gz MHTGICIKCCTRML-SSDOTTSWSA-N -1 0 329.365 2.758 10 0 EFAERM C[C@H](CC(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2)C(F)(F)F ZINC000860804809 1301929831 /nfs/dbraw/zinc/92/98/31/1301929831.db2.gz HKUGDONLAFSCEP-SFXRXQKFSA-N -1 0 327.368 2.600 10 0 EFAERM O=C(Cc1cccc2cnccc21)[N-]S(=O)(=O)CCC1CCCC1 ZINC000860812632 1301933078 /nfs/dbraw/zinc/93/30/78/1301933078.db2.gz DGZPSGXOSSWYQY-UHFFFAOYSA-N -1 0 346.452 2.804 10 0 EFAERM Cc1cc(C(=O)[N-]S(=O)(=O)CCC2CCCCC2)c2nccn2c1 ZINC000860812038 1301933101 /nfs/dbraw/zinc/93/31/01/1301933101.db2.gz OAISMXMZGDWOOZ-UHFFFAOYSA-N -1 0 349.456 2.673 10 0 EFAERM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)C[C@H](C)C(F)(F)F)c(F)c1 ZINC000860841518 1301938345 /nfs/dbraw/zinc/93/83/45/1301938345.db2.gz YXUVLQOVFDWHQE-ZETCQYMHSA-N -1 0 345.289 2.667 10 0 EFAERM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)/C=C\C2CCCCCC2)CO1 ZINC000861140681 1302023273 /nfs/dbraw/zinc/02/32/73/1302023273.db2.gz OMVQZWXRYGSEIK-CFYYFVFUSA-N -1 0 329.462 2.527 10 0 EFAERM CC(C)CC(CC(C)C)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861139559 1302023501 /nfs/dbraw/zinc/02/35/01/1302023501.db2.gz XAPHZGJJPDMNPG-CQSZACIVSA-N -1 0 333.494 2.708 10 0 EFAERM CC[C@@H](CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1)c1ccccc1 ZINC000861145050 1302024109 /nfs/dbraw/zinc/02/41/09/1302024109.db2.gz ZQLIPNWTDBNGIL-DZGCQCFKSA-N -1 0 339.457 2.584 10 0 EFAERM C/C(=C\C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1)c1cccc(Cl)c1 ZINC000861164035 1302025219 /nfs/dbraw/zinc/02/52/19/1302025219.db2.gz WMVOTKIUHKKCFX-VQHVLOKHSA-N -1 0 349.786 2.987 10 0 EFAERM C/C(=C\C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1)c1ccccc1Cl ZINC000861164515 1302025860 /nfs/dbraw/zinc/02/58/60/1302025860.db2.gz XGXASHAYQPIQIL-CMDGGOBGSA-N -1 0 349.786 2.987 10 0 EFAERM O=C([N-]S(=O)(=O)C1(C(F)F)CC1)c1ccc(Cl)cc1Cl ZINC000861166027 1302026870 /nfs/dbraw/zinc/02/68/70/1302026870.db2.gz FHDYHMOYHBKQQM-UHFFFAOYSA-N -1 0 344.166 2.851 10 0 EFAERM O=C(Cc1cccc2ccccc21)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861165497 1302027040 /nfs/dbraw/zinc/02/70/40/1302027040.db2.gz IJQUTXQMNUOUAI-UHFFFAOYSA-N -1 0 339.363 2.626 10 0 EFAERM O=C(CCc1ccccc1Cl)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861165464 1302027239 /nfs/dbraw/zinc/02/72/39/1302027239.db2.gz HLRXKXMYEIVUPG-UHFFFAOYSA-N -1 0 337.775 2.516 10 0 EFAERM C[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccccc2CC(F)(F)F)C1 ZINC000861475550 1302142515 /nfs/dbraw/zinc/14/25/15/1302142515.db2.gz VCCNRKKJEIPMOO-HNNXBMFYSA-N -1 0 344.333 2.798 10 0 EFAERM Cc1ccc(F)c2[nH]c(C(=O)N3CCC[C@@H](C4N=NC(=O)O4)C3)cc21 ZINC000861509007 1302149500 /nfs/dbraw/zinc/14/95/00/1302149500.db2.gz ALILPGBJGUHDQG-SNVBAGLBSA-N -1 0 344.346 2.724 10 0 EFAERM O=C([N-]OC/C=C/Cl)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000861783451 1302206567 /nfs/dbraw/zinc/20/65/67/1302206567.db2.gz WKTABWSINUYBCR-HLPWOGIRSA-N -1 0 335.709 2.969 10 0 EFAERM O=C([N-]Oc1ccccc1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000861781771 1302206942 /nfs/dbraw/zinc/20/69/42/1302206942.db2.gz XNFKYQIZQUFKGU-LLVKDONJSA-N -1 0 325.290 2.890 10 0 EFAERM CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)[N-]Oc2ccccc2)C1 ZINC000861780938 1302207102 /nfs/dbraw/zinc/20/71/02/1302207102.db2.gz PVAMUFUVPMGHJC-OCCSQVGLSA-N -1 0 338.379 2.692 10 0 EFAERM O=C([N-]OC1CCOCC1)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000861807849 1302210011 /nfs/dbraw/zinc/21/00/11/1302210011.db2.gz JKPVTPWRWUGQKN-UHFFFAOYSA-N -1 0 346.427 2.900 10 0 EFAERM O=C([N-]OC[C@@H]1CCOC1)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000861835004 1302216561 /nfs/dbraw/zinc/21/65/61/1302216561.db2.gz LQMNSRNQOMYTBB-CQSZACIVSA-N -1 0 346.427 2.757 10 0 EFAERM CCCO[N-]C(=O)C(=O)Nc1cc(C(C)(C)C)cc2cccnc21 ZINC000861895971 1302237216 /nfs/dbraw/zinc/23/72/16/1302237216.db2.gz GCRCMKHWHUXHHE-UHFFFAOYSA-N -1 0 329.400 2.929 10 0 EFAERM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861997886 1302262670 /nfs/dbraw/zinc/26/26/70/1302262670.db2.gz XGBDXPGEGQNBTI-SECBINFHSA-N -1 0 332.322 2.719 10 0 EFAERM O=C([N-]OCCN1CCCC1=O)C1(c2ccccc2)CCCCCC1 ZINC000862217628 1302309057 /nfs/dbraw/zinc/30/90/57/1302309057.db2.gz LYNGRKDDYMAYQU-UHFFFAOYSA-N -1 0 344.455 2.949 10 0 EFAERM CC(C)CC1(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CC1 ZINC000862224234 1302312482 /nfs/dbraw/zinc/31/24/82/1302312482.db2.gz OYROMGUUXVIPIQ-UHFFFAOYSA-N -1 0 332.322 2.767 10 0 EFAERM COc1c(C)cc(Cl)cc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000863425164 1302609376 /nfs/dbraw/zinc/60/93/76/1302609376.db2.gz XBBMLSCOCUEDMZ-LLVKDONJSA-N -1 0 333.837 2.825 10 0 EFAERM Cc1cc(C)cc(CS(=O)(=O)NCc2ccc(CC(=O)[O-])cc2)c1 ZINC000863429323 1302610242 /nfs/dbraw/zinc/61/02/42/1302610242.db2.gz OIAIKMGCKCGYNZ-UHFFFAOYSA-N -1 0 347.436 2.550 10 0 EFAERM O=C([O-])/C=C\c1ccc(S(=O)(=O)NCC[C@@H]2CC=CCC2)cc1 ZINC000863430886 1302610604 /nfs/dbraw/zinc/61/06/04/1302610604.db2.gz MVZUPARPKCIKDV-KOTGUFOOSA-N -1 0 335.425 2.809 10 0 EFAERM CCC(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000863429676 1302611118 /nfs/dbraw/zinc/61/11/18/1302611118.db2.gz TTXOAFPBHSYWSM-UHFFFAOYSA-N -1 0 333.413 2.687 10 0 EFAERM CCO[C@H](CS(=O)(=O)[N-]c1ccccc1C(=O)CC)C1CC1 ZINC000863429781 1302611212 /nfs/dbraw/zinc/61/12/12/1302611212.db2.gz VSRZRELXANFBTN-MRXNPFEDSA-N -1 0 325.430 2.836 10 0 EFAERM CCc1cc([N-]S(=O)(=O)c2ccc(NC(=O)OC)c(C)c2)no1 ZINC000863435256 1302614246 /nfs/dbraw/zinc/61/42/46/1302614246.db2.gz ISBDVEGYPPNHHV-UHFFFAOYSA-N -1 0 339.373 2.525 10 0 EFAERM Cc1cc(OCc2ccccc2)nc(N[C@H]2CC=C(C(=O)[O-])C2)n1 ZINC000863481010 1302628861 /nfs/dbraw/zinc/62/88/61/1302628861.db2.gz YALYGCOUKIWXME-HNNXBMFYSA-N -1 0 325.368 2.949 10 0 EFAERM Cn1c(=O)c2ccc(C(=O)NC[C@H]3CCCC34CC4)cc2[n-]c1=S ZINC000863777741 1302715502 /nfs/dbraw/zinc/71/55/02/1302715502.db2.gz JLGGTKNWDZRAHK-GFCCVEGCSA-N -1 0 343.452 2.532 10 0 EFAERM Cc1ccc2nc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cn2c1 ZINC000864098953 1302775443 /nfs/dbraw/zinc/77/54/43/1302775443.db2.gz XPQOYZPQNGHWHN-YUELXQCFSA-N -1 0 327.384 2.501 10 0 EFAERM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)cc1OC ZINC000864099032 1302777019 /nfs/dbraw/zinc/77/70/19/1302777019.db2.gz ZMSMAAMPVWFFHT-RCSLCFTFSA-N -1 0 347.411 2.628 10 0 EFAERM CCO[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(OC)c1)C1CCCC1 ZINC000864112015 1302782473 /nfs/dbraw/zinc/78/24/73/1302782473.db2.gz CERZWJSWIXNBGX-FUHWJXTLSA-N -1 0 349.427 2.923 10 0 EFAERM Cc1cccc(CC(=O)N(CC(=O)[O-])CC2CC2)c1Br ZINC000864113731 1302783286 /nfs/dbraw/zinc/78/32/86/1302783286.db2.gz BUMWVASHPPCTPF-UHFFFAOYSA-N -1 0 340.217 2.623 10 0 EFAERM CCO[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C1CCCC1 ZINC000864114934 1302783299 /nfs/dbraw/zinc/78/32/99/1302783299.db2.gz HNGUTMLQYCCTDB-SJORKVTESA-N -1 0 331.412 2.620 10 0 EFAERM CC[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1c(C)nn(C)c1C ZINC000864113438 1302783712 /nfs/dbraw/zinc/78/37/12/1302783712.db2.gz RHUCAWQMBGZMIK-BUUCAEBMSA-N -1 0 331.372 2.609 10 0 EFAERM CCOC1CC2(C[C@@H]2C(=O)N[C@@H](CC(=O)[O-])c2cccc(OC)c2)C1 ZINC000864113507 1302784172 /nfs/dbraw/zinc/78/41/72/1302784172.db2.gz UWNRWRBWJJTXBJ-BHEGOAEISA-N -1 0 347.411 2.532 10 0 EFAERM O=C([O-])CCN(C(=O)C1CCc2ccccc2CC1)C1CCOCC1 ZINC000864117651 1302784815 /nfs/dbraw/zinc/78/48/15/1302784815.db2.gz OUBKVPHUFYCNSH-UHFFFAOYSA-N -1 0 345.439 2.664 10 0 EFAERM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000864116748 1302784994 /nfs/dbraw/zinc/78/49/94/1302784994.db2.gz IUOFFOOIZNJZAO-VOAKCMCISA-N -1 0 325.368 2.801 10 0 EFAERM Cc1c(CN(C)Cc2cc(=O)oc3cc([O-])c(Cl)cc23)cnn1C ZINC000794586667 1302785059 /nfs/dbraw/zinc/78/50/59/1302785059.db2.gz VKNDLOISGVQVOC-UHFFFAOYSA-N -1 0 347.802 2.826 10 0 EFAERM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(C)n1C[C@@H]1CCCOC1 ZINC000864119824 1302785442 /nfs/dbraw/zinc/78/54/42/1302785442.db2.gz NXJCUSSRWNWFOL-YOEHRIQHSA-N -1 0 348.443 2.515 10 0 EFAERM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)ccc1OC(F)(F)F ZINC000864119458 1302785476 /nfs/dbraw/zinc/78/54/76/1302785476.db2.gz CWYPNDYCNLPGIH-NSHDSACASA-N -1 0 331.290 2.877 10 0 EFAERM CCOC1CC2(C[C@@H]2C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)C1 ZINC000864120733 1302786524 /nfs/dbraw/zinc/78/65/24/1302786524.db2.gz LRUYLFIBPAQVGD-XAUUPUKJSA-N -1 0 342.395 2.870 10 0 EFAERM COC[C@](C)(NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC000864127325 1302787510 /nfs/dbraw/zinc/78/75/10/1302787510.db2.gz STKBKVVCZWUXSK-SFHVURJKSA-N -1 0 333.359 2.517 10 0 EFAERM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2Cc3ccccc3O2)Cc2ccccc21 ZINC000864129911 1302789084 /nfs/dbraw/zinc/78/90/84/1302789084.db2.gz JGHKGTIQMNGEEU-RDJZCZTQSA-N -1 0 337.375 2.591 10 0 EFAERM Cc1nc([C@H](C)NC(=O)C[C@H]2Cc3ccccc3O2)sc1C(=O)[O-] ZINC000864133619 1302789921 /nfs/dbraw/zinc/78/99/21/1302789921.db2.gz VKPLMFLOGZVFQT-CMPLNLGQSA-N -1 0 346.408 2.721 10 0 EFAERM CC1(C(=O)[O-])CCN(C(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)CC1 ZINC000864132191 1302789998 /nfs/dbraw/zinc/78/99/98/1302789998.db2.gz MDRWVZRWMILCOJ-NWANDNLSSA-N -1 0 333.815 2.939 10 0 EFAERM CCO[C@@H]1COCC[C@H]1CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000864134866 1302791166 /nfs/dbraw/zinc/79/11/66/1302791166.db2.gz DKWLRMNKCFLTHS-UKPHBRMFSA-N -1 0 349.427 2.720 10 0 EFAERM CCO[C@@H](C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-])C1CCCC1 ZINC000864140007 1302792411 /nfs/dbraw/zinc/79/24/11/1302792411.db2.gz RDHZWNCNUQVSMF-IAGOWNOFSA-N -1 0 333.428 2.736 10 0 EFAERM Cc1ccc(F)c2[nH]c(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc21 ZINC000864139583 1302792560 /nfs/dbraw/zinc/79/25/60/1302792560.db2.gz HDGALAFMVZCDCT-SNVBAGLBSA-N -1 0 332.253 2.751 10 0 EFAERM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000864141946 1302793501 /nfs/dbraw/zinc/79/35/01/1302793501.db2.gz TTXILKRPGQZAPT-JTDSTZFVSA-N -1 0 333.428 2.782 10 0 EFAERM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC000864143004 1302794048 /nfs/dbraw/zinc/79/40/48/1302794048.db2.gz YIXMXDMMVWQYIE-FUHIMQAGSA-N -1 0 345.439 2.736 10 0 EFAERM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000864141945 1302794142 /nfs/dbraw/zinc/79/41/42/1302794142.db2.gz TTXILKRPGQZAPT-GJYPPUQNSA-N -1 0 333.428 2.782 10 0 EFAERM CCO[C@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)C1CCCC1 ZINC000864148634 1302794966 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1336689288 /nfs/dbraw/zinc/68/92/88/1336689288.db2.gz CKULFDGOGFYSQK-JTQLQIEISA-N -1 0 340.221 2.740 10 0 EFAERM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001362660545 1336695669 /nfs/dbraw/zinc/69/56/69/1336695669.db2.gz HHLAYDXRAYIBHR-TZMCWYRMSA-N -1 0 328.420 2.596 10 0 EFAERM CCOC(=O)C1=CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC001362671729 1336699877 /nfs/dbraw/zinc/69/98/77/1336699877.db2.gz UZCNLPVKZDEYCV-SNVBAGLBSA-N -1 0 343.301 2.793 10 0 EFAERM O=C(c1c[n-]ncc1=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC001362706536 1336711981 /nfs/dbraw/zinc/71/19/81/1336711981.db2.gz AGXIYROANPXQKH-LBPRGKRZSA-N -1 0 334.173 2.532 10 0 EFAERM O=C(c1ncc(Br)cc1[O-])N1CC[C@@H](c2ccccn2)C1 ZINC001362743873 1336725641 /nfs/dbraw/zinc/72/56/41/1336725641.db2.gz WTYRXXOAWCGWLV-SNVBAGLBSA-N -1 0 348.200 2.574 10 0 EFAERM CC[C@@H](Sc1ccccc1)C(=O)N(Cc1nnn[n-]1)CC(C)C ZINC001362833610 1336756702 /nfs/dbraw/zinc/75/67/02/1336756702.db2.gz WJCWZAHDFURGRO-CQSZACIVSA-N -1 0 333.461 2.755 10 0 EFAERM C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc(F)c2[O-])[C@H](C)O1 ZINC001363151633 1336806814 /nfs/dbraw/zinc/80/68/14/1336806814.db2.gz CZYMFWVKXBRSTL-BUYFANAVSA-N -1 0 332.169 2.590 10 0 EFAERM CC(C)CCc1cc(NC(=O)c2cc(C(=O)OC(C)(C)C)[n-]n2)n[nH]1 ZINC001363142673 1336802648 /nfs/dbraw/zinc/80/26/48/1336802648.db2.gz UJELQKLQKBUFHX-UHFFFAOYSA-N -1 0 347.419 2.929 10 0 EFAERM O=C(c1ccc(Cl)c([O-])c1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC001363175378 1336818262 /nfs/dbraw/zinc/81/82/62/1336818262.db2.gz OZZLPSUONURGCX-LLVKDONJSA-N -1 0 326.183 2.983 10 0 EFAERM CCC[C@@H](C)[C@@H](CO)NC(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC001363203990 1336832285 /nfs/dbraw/zinc/83/22/85/1336832285.db2.gz VPBKHZPMRZXUOY-UKRRQHHQSA-N -1 0 345.443 2.667 10 0 EFAERM CC(C)CN(Cc1nnn[n-]1)C(=O)c1c(Cl)cccc1Cl ZINC001363274795 1336854550 /nfs/dbraw/zinc/85/45/50/1336854550.db2.gz ABWYUOAUUYURJS-UHFFFAOYSA-N -1 0 328.203 2.805 10 0 EFAERM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(Cc1nnn[n-]1)CC(C)C ZINC001363277195 1336854971 /nfs/dbraw/zinc/85/49/71/1336854971.db2.gz QTRDCNPPSBXEKA-KFWWJZLASA-N -1 0 337.468 2.558 10 0 EFAERM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001363276759 1336855128 /nfs/dbraw/zinc/85/51/28/1336855128.db2.gz OZRVGHKSIMQFCD-MRXNPFEDSA-N -1 0 333.411 2.763 10 0 EFAERM O=c1[nH]c(C2CC2)nc2c1CN(C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC001363295063 1336861943 /nfs/dbraw/zinc/86/19/43/1336861943.db2.gz CIFCZCBUOWEYJT-OAHLLOKOSA-N -1 0 349.793 2.901 10 0 EFAERM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NC1(c2nnn[n-]2)CCC1 ZINC001363546274 1336925146 /nfs/dbraw/zinc/92/51/46/1336925146.db2.gz DMPCETIMJDWULR-CHWSQXEVSA-N -1 0 325.416 2.685 10 0 EFAERM CC(C)CN(Cc1nnn[n-]1)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001363547967 1336925829 /nfs/dbraw/zinc/92/58/29/1336925829.db2.gz SXTATHXPICGRNW-NWDGAFQWSA-N -1 0 347.385 2.943 10 0 EFAERM Cn1cc(NC(=O)c2c([O-])cccc2Cl)c(Br)n1 ZINC001363549560 1336926235 /nfs/dbraw/zinc/92/62/35/1336926235.db2.gz LYKIEHNBIKQILY-UHFFFAOYSA-N -1 0 330.569 2.794 10 0 EFAERM O=C(NC1(c2nnn[n-]2)CCC1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001363548758 1336926315 /nfs/dbraw/zinc/92/63/15/1336926315.db2.gz KTAUHGVJFYHSFD-CMPLNLGQSA-N -1 0 349.797 2.681 10 0 EFAERM C[C@@H](CC(=O)NC1(c2nnn[n-]2)CCC1)Cc1ccc(Cl)cc1 ZINC001363552352 1336927848 /nfs/dbraw/zinc/92/78/48/1336927848.db2.gz QJDHHAYQDNOIRG-LLVKDONJSA-N -1 0 333.823 2.617 10 0 EFAERM C[C@](CO)(NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(O)cc1 ZINC001363587942 1336942019 /nfs/dbraw/zinc/94/20/19/1336942019.db2.gz VWNJIAOALIYOIV-MRXNPFEDSA-N -1 0 339.750 2.528 10 0 EFAERM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001363606998 1336952301 /nfs/dbraw/zinc/95/23/01/1336952301.db2.gz XFEDHXIFOCKBNJ-NDBYEHHHSA-N -1 0 329.375 2.739 10 0 EFAERM COC[C@H](CNC(=O)c1cccc(Br)c1[O-])C(C)C ZINC001363629372 1336961329 /nfs/dbraw/zinc/96/13/29/1336961329.db2.gz MYTLQWCLVKTQQM-JTQLQIEISA-N -1 0 330.222 2.803 10 0 EFAERM C[S@](=O)(=NC(=O)c1[n-]cnc1C(F)(F)F)c1ccc(F)cc1 ZINC001363628615 1336961777 /nfs/dbraw/zinc/96/17/77/1336961777.db2.gz VQUSUQYZAVQUSW-JOCHJYFZSA-N -1 0 335.282 2.865 10 0 EFAERM CC[C@H](C[C@@H](C)O)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC001363637920 1336966485 /nfs/dbraw/zinc/96/64/85/1336966485.db2.gz QQXGYXQILXCNHE-UKRRQHHQSA-N -1 0 345.443 2.981 10 0 EFAERM O=C(N[C@H]1CCOC12CCCC2)c1cccc(Br)c1[O-] ZINC001363663552 1336981632 /nfs/dbraw/zinc/98/16/32/1336981632.db2.gz VHKJBNWHCJUKEV-LBPRGKRZSA-N -1 0 340.217 2.986 10 0 EFAERM C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1nn(C)cc1[O-] ZINC001363661782 1336980299 /nfs/dbraw/zinc/98/02/99/1336980299.db2.gz GUGGIPHSBUQQAA-MRVPVSSYSA-N -1 0 329.278 2.515 10 0 EFAERM C[C@@H](NC(=O)c1ccc(N2CCCCCC2)cc1)c1nn(C)cc1[O-] ZINC001363664210 1336982222 /nfs/dbraw/zinc/98/22/22/1336982222.db2.gz JSLVGVLARVOCJU-CQSZACIVSA-N -1 0 342.443 2.997 10 0 EFAERM C[C@H](NC(=O)C1(c2ccncc2)CC2(CCC2)C1)c1nn(C)cc1[O-] ZINC001363666760 1336983717 /nfs/dbraw/zinc/98/37/17/1336983717.db2.gz NHOPOGRQUBFWPD-ZDUSSCGKSA-N -1 0 340.427 2.600 10 0 EFAERM CCCCN(C)c1ccc(C(=O)N[C@@H](C)c2nn(C)cc2[O-])cc1 ZINC001363669782 1336984808 /nfs/dbraw/zinc/98/48/08/1336984808.db2.gz XRQNWGCAFRFJEZ-ZDUSSCGKSA-N -1 0 330.432 2.853 10 0 EFAERM CC1(c2ccc(CNC(=O)c3ccc(F)cc3[O-])cc2)OCCO1 ZINC001363719102 1337009913 /nfs/dbraw/zinc/00/99/13/1337009913.db2.gz JAGVHSAZKWUBHH-UHFFFAOYSA-N -1 0 331.343 2.681 10 0 EFAERM O=C(NCCc1ccc2c(c1)OCCCO2)c1c([O-])cc(F)cc1F ZINC001363751953 1337024701 /nfs/dbraw/zinc/02/47/01/1337024701.db2.gz OBVVZKHWWLEPTM-UHFFFAOYSA-N -1 0 349.333 2.804 10 0 EFAERM C[C@H](CC(N)=O)c1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC001363765199 1337031035 /nfs/dbraw/zinc/03/10/35/1337031035.db2.gz ZMDKBCKWQUODCA-SECBINFHSA-N -1 0 334.322 2.902 10 0 EFAERM O=C(NC[C@H]1CCC2(CCOCC2)O1)c1ccc(Cl)c([O-])c1 ZINC001363777448 1337038814 /nfs/dbraw/zinc/03/88/14/1337038814.db2.gz YQZFWGXQNJHZGC-GFCCVEGCSA-N -1 0 325.792 2.504 10 0 EFAERM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1scnc1Cl ZINC001363803780 1337058744 /nfs/dbraw/zinc/05/87/44/1337058744.db2.gz GFFDSKFEGXMMDH-YUMQZZPRSA-N -1 0 341.786 2.828 10 0 EFAERM CCC[C@@H](C)[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC001363816212 1337065894 /nfs/dbraw/zinc/06/58/94/1337065894.db2.gz VIBYSXKOFOPJOE-RISCZKNCSA-N -1 0 349.406 2.552 10 0 EFAERM C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1nn(C)cc1[O-] ZINC001363832323 1337072021 /nfs/dbraw/zinc/07/20/21/1337072021.db2.gz OKPYIBPNVRECMU-LBPRGKRZSA-N -1 0 331.416 2.679 10 0 EFAERM CC1(C)CCC[C@H](CNC(=O)c2nn(-c3cccc(F)c3)cc2[O-])O1 ZINC001363848211 1337079524 /nfs/dbraw/zinc/07/95/24/1337079524.db2.gz DRRIFAQLTYYIFB-CQSZACIVSA-N -1 0 347.390 2.795 10 0 EFAERM Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2nn(C)cc2[O-])ccc1Cl ZINC001363855243 1337083517 /nfs/dbraw/zinc/08/35/17/1337083517.db2.gz WUKUKKAGOFUOTR-GHMZBOCLSA-N -1 0 337.807 2.732 10 0 EFAERM C[C@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nn(C)cc1[O-] ZINC001363854241 1337083549 /nfs/dbraw/zinc/08/35/49/1337083549.db2.gz UGYAOZQMDIIDDN-SWLSCSKDSA-N -1 0 329.400 2.511 10 0 EFAERM Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2nn(C)cc2[O-])ccc1Cl ZINC001363855251 1337083603 /nfs/dbraw/zinc/08/36/03/1337083603.db2.gz WUKUKKAGOFUOTR-QWRGUYRKSA-N -1 0 337.807 2.732 10 0 EFAERM O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ncc(Br)cc1[O-] ZINC001363937389 1337120272 /nfs/dbraw/zinc/12/02/72/1337120272.db2.gz NRFADEFPKGGCHA-HLTSFMKQSA-N -1 0 347.159 2.713 10 0 EFAERM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001363998781 1337143543 /nfs/dbraw/zinc/14/35/43/1337143543.db2.gz RMRKPXRXTJQHBD-JKYUHCHBSA-N -1 0 344.180 2.591 10 0 EFAERM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001364026133 1337154219 /nfs/dbraw/zinc/15/42/19/1337154219.db2.gz WOJXQVOJGHZJBD-XUJVJEKNSA-N -1 0 329.375 2.883 10 0 EFAERM CC[C@H](C)C(=O)N[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001377839706 1344495711 /nfs/dbraw/zinc/49/57/11/1344495711.db2.gz SJPVYHGEJMESQR-RYUDHWBXSA-N -1 0 348.472 2.524 10 0 EFAERM CC[C@@H](C)C(=O)N[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001377839701 1344496094 /nfs/dbraw/zinc/49/60/94/1344496094.db2.gz SJPVYHGEJMESQR-NEPJUHHUSA-N -1 0 348.472 2.524 10 0 EFAERM CC[C@H](F)C[NH2+]Cc1ccc(CNC(=O)c2ncccc2O)cc1 ZINC001378461736 1345097547 /nfs/dbraw/zinc/09/75/47/1345097547.db2.gz JCZJWYHSLWJINO-HNNXBMFYSA-N -1 0 331.391 2.555 10 0 EFAERM CC(C)[C@@H](CCNC(=O)C1CC2(CC2)C1)NC(=O)c1ccccc1O ZINC001381652590 1348434618 /nfs/dbraw/zinc/43/46/18/1348434618.db2.gz WPBHHMIXRRRULQ-MRXNPFEDSA-N -1 0 344.455 2.843 10 0 EFAERM CC(C)C[C@@H](CNC(=O)c1ncccc1O)NC(=O)[C@@H](C)C(C)(C)C ZINC001391398340 1355168580 /nfs/dbraw/zinc/16/85/80/1355168580.db2.gz CLFDGSXAIXNFTA-KGLIPLIRSA-N -1 0 349.475 2.730 10 0 EFAERM CC[C@H]1CCCC[C@H]1NC(=O)c1nc[n-]c(=O)c1Br ZINC001441189629 1391169138 /nfs/dbraw/zinc/16/91/38/1391169138.db2.gz JFQZTRUIDDGZJA-DTWKUNHWSA-N -1 0 328.210 2.643 10 0 EFAERM CCCCC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3O)C[C@@H]2C1 ZINC001404765142 1365807513 /nfs/dbraw/zinc/80/75/13/1365807513.db2.gz JVWJLESTLYEYAK-OWCLPIDISA-N -1 0 344.455 2.939 10 0 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Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1c(O)cccc1Cl ZINC001556783956 1415088424 /nfs/dbraw/zinc/08/84/24/1415088424.db2.gz GLEGQKCFNPOXQI-UHFFFAOYSA-N -1 0 346.774 2.592 10 0 EFAERM Cc1cc(=O)[nH]c(C(C)(C)NC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC001557315235 1415120144 /nfs/dbraw/zinc/12/01/44/1415120144.db2.gz XJHKMLYTDKHKFI-UHFFFAOYSA-N -1 0 344.396 2.586 10 0 EFAERM O=C([N-]c1cc(C(F)F)ccc1F)c1nc(-c2cnccn2)no1 ZINC001557362751 1415122609 /nfs/dbraw/zinc/12/26/09/1415122609.db2.gz FHNJYSHEPHATBJ-UHFFFAOYSA-N -1 0 335.245 2.856 10 0 EFAERM COc1cc2ccc(NC(=O)c3cc(=O)n(C)[n-]3)cc2cc1OC ZINC001557583766 1415132772 /nfs/dbraw/zinc/13/27/72/1415132772.db2.gz YILYGKYZCMHIBE-UHFFFAOYSA-N -1 0 327.340 2.548 10 0 EFAERM Cc1cccc(CO[N-]C(=O)CN(C)c2nc3ccccc3s2)n1 ZINC001557719296 1415140167 /nfs/dbraw/zinc/14/01/67/1415140167.db2.gz AMNKSQCXORYBNC-UHFFFAOYSA-N -1 0 342.424 2.684 10 0 EFAERM Cc1cc(C)c(O)c(NC(=O)c2nc[n-]c(=O)c2Br)c1 ZINC001557873710 1415148753 /nfs/dbraw/zinc/14/87/53/1415148753.db2.gz 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ZINC000562427167 478247677 /nfs/dbraw/zinc/24/76/77/478247677.db2.gz NBVDGCALCUHHAW-GFCCVEGCSA-N -1 0 348.399 2.905 10 0 EFAERM C/C=C/C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1)C(=O)[O-] ZINC000562431357 478248266 /nfs/dbraw/zinc/24/82/66/478248266.db2.gz NQNJKTQJLQHRMS-DQNOIUNYSA-N -1 0 349.406 2.513 10 0 EFAERM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N(CC(F)F)CC1CCC1 ZINC000536461898 478251963 /nfs/dbraw/zinc/25/19/63/478251963.db2.gz BLGVDLBNQDXDAR-UHFFFAOYSA-N -1 0 337.326 2.537 10 0 EFAERM Cc1cccc2[nH]cc(CCNC(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])c21 ZINC000562458703 478252505 /nfs/dbraw/zinc/25/25/05/478252505.db2.gz CVNLSIJWWBXSSU-WBMJQRKESA-N -1 0 343.427 2.914 10 0 EFAERM Cc1cccc([C@@H](CN=c2[n-]c(C3CCC3)no2)N2CCOCC2)c1 ZINC000519864258 478268346 /nfs/dbraw/zinc/26/83/46/478268346.db2.gz RSPYCOZNIMOCTA-QGZVFWFLSA-N -1 0 342.443 2.553 10 0 EFAERM O=C(CC[C@@H]1CCOC1)NC[C@H](C(=O)[O-])C1C2CC3CC(C2)CC1C3 ZINC000579358562 478278204 /nfs/dbraw/zinc/27/82/04/478278204.db2.gz RHTVTAGOERXSHS-CHOMALDPSA-N -1 0 349.471 2.692 10 0 EFAERM CO[C@H](CS(=O)(=O)[N-]c1cc(C2C(C)(C)C2(C)C)[nH]n1)C1CC1 ZINC000570094089 478282449 /nfs/dbraw/zinc/28/24/49/478282449.db2.gz ZWYHLGARSOMALU-GFCCVEGCSA-N -1 0 341.477 2.726 10 0 EFAERM Cc1cc(F)ccc1S(=O)(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000579424283 478290623 /nfs/dbraw/zinc/29/06/23/478290623.db2.gz CGXLCFHGRYWLFA-UHFFFAOYSA-N -1 0 329.393 2.542 10 0 EFAERM CC1(c2nc(=NC(=O)CCSCc3ccccn3)s[n-]2)CC1 ZINC000600228748 478299614 /nfs/dbraw/zinc/29/96/14/478299614.db2.gz ZGMIMGIRLWYXAV-UHFFFAOYSA-N -1 0 334.470 2.669 10 0 EFAERM COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000520403145 478306659 /nfs/dbraw/zinc/30/66/59/478306659.db2.gz JVOJVKPAEVKUDZ-SRVKXCTJSA-N -1 0 338.379 2.648 10 0 EFAERM CC[C@@H](C)C[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)[O-] ZINC000520411975 478307567 /nfs/dbraw/zinc/30/75/67/478307567.db2.gz JQOTUNWAODGRKF-HWPZZCPQSA-N -1 0 329.400 2.866 10 0 EFAERM CO[C@H](CS(=O)(=O)[N-]c1nc2cc(F)c(F)cc2s1)C1CC1 ZINC000570211235 478309212 /nfs/dbraw/zinc/30/92/12/478309212.db2.gz AGODXASCEVYMLR-LLVKDONJSA-N -1 0 348.396 2.741 10 0 EFAERM CCCCCOc1ccc(S(=O)(=O)NC2(CC(=O)[O-])CC2)cc1 ZINC000521052327 478366814 /nfs/dbraw/zinc/36/68/14/478366814.db2.gz RNMSGQKXXMSVFK-UHFFFAOYSA-N -1 0 341.429 2.541 10 0 EFAERM COC(C)(C)CS(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000562902647 478376834 /nfs/dbraw/zinc/37/68/34/478376834.db2.gz MELGSZONRKRULE-LLVKDONJSA-N -1 0 325.352 2.634 10 0 EFAERM COCCC1(CNC(=O)CC2CCC(C(=O)[O-])CC2)CCCC1 ZINC000581551067 478387140 /nfs/dbraw/zinc/38/71/40/478387140.db2.gz ZOEXSRXBKYBPMO-UHFFFAOYSA-N -1 0 325.449 2.981 10 0 EFAERM FC(F)(F)Oc1ccc(CN=c2[n-]c(C3CCOCC3)no2)cc1 ZINC000581594679 478395224 /nfs/dbraw/zinc/39/52/24/478395224.db2.gz JCVOUWGCLFFLEN-UHFFFAOYSA-N -1 0 343.305 2.896 10 0 EFAERM CO[C@@H](C)c1nsc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC000581610493 478399607 /nfs/dbraw/zinc/39/96/07/478399607.db2.gz QOQCFGSLEZVOKD-CYZMBNFOSA-N -1 0 333.413 2.550 10 0 EFAERM Cc1cnc(N)c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000539115530 478402241 /nfs/dbraw/zinc/40/22/41/478402241.db2.gz PQJXGZWYMQZRQW-UHFFFAOYSA-N -1 0 346.437 2.897 10 0 EFAERM CC(C)[C@H](C)CNC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000570677427 478417741 /nfs/dbraw/zinc/41/77/41/478417741.db2.gz JMAMQRIXMNRQFE-LLVKDONJSA-N -1 0 328.359 2.853 10 0 EFAERM CC(C)[C@@H](C)CNC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000570677428 478418298 /nfs/dbraw/zinc/41/82/98/478418298.db2.gz JMAMQRIXMNRQFE-NSHDSACASA-N -1 0 328.359 2.853 10 0 EFAERM COC(=O)[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000600559892 478419412 /nfs/dbraw/zinc/41/94/12/478419412.db2.gz SJGDXOJEHXQIGJ-OUCADQQQSA-N -1 0 337.803 2.849 10 0 EFAERM CSCc1cc(F)ccc1CNC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000594530472 478426462 /nfs/dbraw/zinc/42/64/62/478426462.db2.gz YVAQLPOLVDABOP-CQSZACIVSA-N -1 0 342.436 2.845 10 0 EFAERM CCC[C@](C)(NC(=O)N[C@@H](C)c1ccccc1-n1cccn1)C(=O)[O-] ZINC000570710971 478427407 /nfs/dbraw/zinc/42/74/07/478427407.db2.gz ITSDMBFOUYYNNJ-UGSOOPFHSA-N -1 0 344.415 2.876 10 0 EFAERM CSC[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594533787 478427529 /nfs/dbraw/zinc/42/75/29/478427529.db2.gz CNEGZBGFCYSHHB-MROQNXINSA-N -1 0 328.478 2.659 10 0 EFAERM O=C([O-])[C@@H](CN1CCCc2ccccc21)[NH2+]Cc1cccc(F)c1F ZINC000570752977 478435699 /nfs/dbraw/zinc/43/56/99/478435699.db2.gz OKYYWAYBJQJVLV-MRXNPFEDSA-N -1 0 346.377 2.960 10 0 EFAERM C[C@](NC(=O)c1cnc(C2CC2)s1)(C(=O)[O-])c1ccc(F)cc1 ZINC000570775681 478440629 /nfs/dbraw/zinc/44/06/29/478440629.db2.gz HWDBNAOLVQZRLD-MRXNPFEDSA-N -1 0 334.372 2.889 10 0 EFAERM C[C@@](NC(=O)c1cnc(C2CC2)s1)(C(=O)[O-])c1ccc(F)cc1 ZINC000570775676 478440770 /nfs/dbraw/zinc/44/07/70/478440770.db2.gz HWDBNAOLVQZRLD-INIZCTEOSA-N -1 0 334.372 2.889 10 0 EFAERM COCC[C@@H](C)S(=O)(=O)Nc1cc(C(=O)[O-])c(Cl)cc1C ZINC000570776808 478441674 /nfs/dbraw/zinc/44/16/74/478441674.db2.gz SJAJVMYLZQZMAF-SECBINFHSA-N -1 0 335.809 2.513 10 0 EFAERM CCCCOc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000539931835 478451524 /nfs/dbraw/zinc/45/15/24/478451524.db2.gz OKTBLBNKFUUOIL-UHFFFAOYSA-N -1 0 344.415 2.709 10 0 EFAERM CC(C)n1nccc1[N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000563136415 478459788 /nfs/dbraw/zinc/45/97/88/478459788.db2.gz SLKSPTJQLBDGCT-UHFFFAOYSA-N -1 0 345.327 2.586 10 0 EFAERM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)NCc1nc2ccccc2s1 ZINC000570885459 478467393 /nfs/dbraw/zinc/46/73/93/478467393.db2.gz DWFPUBANOJZNSM-ZETOZRRWSA-N -1 0 345.424 2.691 10 0 EFAERM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)NCc1nc2ccccc2s1 ZINC000570885457 478468251 /nfs/dbraw/zinc/46/82/51/478468251.db2.gz DWFPUBANOJZNSM-RWSFTLGLSA-N -1 0 345.424 2.691 10 0 EFAERM Cc1cnc(CNC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000581931025 478469228 /nfs/dbraw/zinc/46/92/28/478469228.db2.gz AEPPDXCMLZZRKY-CQSZACIVSA-N -1 0 347.440 2.727 10 0 EFAERM Cc1c(C(=O)[O-])sc2nc(CN(C)C)nc(N[C@@H](C)C3CC3)c12 ZINC000563204459 478480975 /nfs/dbraw/zinc/48/09/75/478480975.db2.gz FDIGELJYYSBSOM-VIFPVBQESA-N -1 0 334.445 2.970 10 0 EFAERM CCc1ccc(S(=O)(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])s1 ZINC000570925837 478481027 /nfs/dbraw/zinc/48/10/27/478481027.db2.gz MKOIEWJQNACDCJ-BXUZGUMPSA-N -1 0 331.459 2.622 10 0 EFAERM COC[C@@]1(C(=O)[O-])CCCN(c2nc(C)nc3sc(C)c(C)c32)C1 ZINC000570931024 478483579 /nfs/dbraw/zinc/48/35/79/478483579.db2.gz BEJAUFZEIAVBHW-QGZVFWFLSA-N -1 0 349.456 2.934 10 0 EFAERM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1n[nH]c(C2CCC2)n1 ZINC000570951272 478488967 /nfs/dbraw/zinc/48/89/67/478488967.db2.gz XELSDLIGIZURMW-UHFFFAOYSA-N -1 0 344.799 2.807 10 0 EFAERM COC(=O)c1c(Cl)cccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000591241549 478497242 /nfs/dbraw/zinc/49/72/42/478497242.db2.gz HIIVBQYSEVGGSU-UWVGGRQHSA-N -1 0 337.759 2.732 10 0 EFAERM COC(=O)[C@H](C)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000591241569 478497547 /nfs/dbraw/zinc/49/75/47/478497547.db2.gz IFQWMBWXSXKMDQ-KCPJHIHWSA-N -1 0 331.368 2.569 10 0 EFAERM COC(=O)c1c(Cl)cccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000591241550 478498114 /nfs/dbraw/zinc/49/81/14/478498114.db2.gz HIIVBQYSEVGGSU-VHSXEESVSA-N -1 0 337.759 2.732 10 0 EFAERM CCC[C@H](C(=O)[O-])[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000571022377 478500682 /nfs/dbraw/zinc/50/06/82/478500682.db2.gz SMIGOPVGSJSHNS-DMZKTXOQSA-N -1 0 325.361 2.983 10 0 EFAERM CSC[C@H](C)C(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000591260481 478501814 /nfs/dbraw/zinc/50/18/14/478501814.db2.gz HUNJOSXAKQHLTD-WPRPVWTQSA-N -1 0 349.374 2.605 10 0 EFAERM CCn1nccc1S(=O)(=O)[N-]c1nc2ccccc2n1C(C)C ZINC000571105967 478522791 /nfs/dbraw/zinc/52/27/91/478522791.db2.gz RORPBYHPORMOMB-UHFFFAOYSA-N -1 0 333.417 2.634 10 0 EFAERM Cc1nc(CS(=O)(=O)c2nnc(-c3ccccc3)[n-]2)sc1C ZINC000571133529 478524954 /nfs/dbraw/zinc/52/49/54/478524954.db2.gz XBUYXEUYUMMWFE-UHFFFAOYSA-N -1 0 334.426 2.519 10 0 EFAERM Cc1ccc(O[C@H](C)CNC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1 ZINC000571143933 478528528 /nfs/dbraw/zinc/52/85/28/478528528.db2.gz TWWAXOJVALGMIL-WTTBNOFXSA-N -1 0 346.427 2.657 10 0 EFAERM CC(C)=CCSC[C@@H](NCc1nc2c(s1)CCC2)C(=O)[O-] ZINC000591351917 478533794 /nfs/dbraw/zinc/53/37/94/478533794.db2.gz BWSDDZQUSMSZLR-GFCCVEGCSA-N -1 0 326.487 2.874 10 0 EFAERM Cc1cncc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(=O)[O-])c1 ZINC000582192862 478536321 /nfs/dbraw/zinc/53/63/21/478536321.db2.gz WDXVQSPOUOCXMW-UHFFFAOYSA-N -1 0 348.424 2.832 10 0 EFAERM CCOC(=O)c1cnc(NC(=O)c2ccsc2C(F)(F)F)[n-]1 ZINC000600827140 478536555 /nfs/dbraw/zinc/53/65/55/478536555.db2.gz VMWCSNHHQIOIIO-UHFFFAOYSA-N -1 0 333.291 2.919 10 0 EFAERM C[C@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)c1ccnn1C ZINC000600870404 478547033 /nfs/dbraw/zinc/54/70/33/478547033.db2.gz RMTSTDBGGTUFSR-LBPRGKRZSA-N -1 0 347.440 2.870 10 0 EFAERM CCCCS[C@H](C)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC000600876826 478548678 /nfs/dbraw/zinc/54/86/78/478548678.db2.gz HYJZRIYYCOQMRF-GFCCVEGCSA-N -1 0 327.450 2.835 10 0 EFAERM CCCCS[C@@H](C)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)[O-] ZINC000600877583 478549175 /nfs/dbraw/zinc/54/91/75/478549175.db2.gz ZGYTXSZRXVQMQZ-WFASDCNBSA-N -1 0 339.457 2.729 10 0 EFAERM CSCc1ccc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])cc1 ZINC000600875380 478549248 /nfs/dbraw/zinc/54/92/48/478549248.db2.gz JGZVSSSSOUGDCQ-HIFRSBDPSA-N -1 0 337.441 2.549 10 0 EFAERM CC[C@H](C)[C@@H](NC(=O)N[C@H](C)c1ccc(OC)c(F)c1)C(=O)[O-] ZINC000571235576 478549467 /nfs/dbraw/zinc/54/94/67/478549467.db2.gz KIJMLIOIIQLWIK-IMSIIYSGSA-N -1 0 326.368 2.694 10 0 EFAERM CCN(C(=O)c1c([O-])cc(F)cc1F)[C@@H](C)C(=O)OC(C)(C)C ZINC000597869641 478552585 /nfs/dbraw/zinc/55/25/85/478552585.db2.gz LXFZIEKFZOPOSO-VIFPVBQESA-N -1 0 329.343 2.863 10 0 EFAERM C[C@H]1CCN(C(=O)Nc2ccccc2OC(F)F)C[C@@H]1C(=O)[O-] ZINC000571326659 478571912 /nfs/dbraw/zinc/57/19/12/478571912.db2.gz JLIGGXNLGGGTHJ-UWVGGRQHSA-N -1 0 328.315 2.863 10 0 EFAERM CCS[C@@H]1CCC[C@H](NC(=O)N2C3CCC2(C(=O)[O-])CC3)C1 ZINC000600943653 478579264 /nfs/dbraw/zinc/57/92/64/478579264.db2.gz GNFBBUZCSCYNOK-OPXGVBIBSA-N -1 0 326.462 2.842 10 0 EFAERM O=C([O-])c1ccc(NS(=O)(=O)C[C@H]2CCCC2(F)F)c(F)c1 ZINC000571379983 478582368 /nfs/dbraw/zinc/58/23/68/478582368.db2.gz KJSFEGCBOZDRMR-SECBINFHSA-N -1 0 337.319 2.701 10 0 EFAERM CO[C@H]1CN(C(=O)Nc2ccc(CSC)cc2)[C@@](C)(C(=O)[O-])C1 ZINC000600957605 478585543 /nfs/dbraw/zinc/58/55/43/478585543.db2.gz PZELBHRXZWAPPO-CZUORRHYSA-N -1 0 338.429 2.646 10 0 EFAERM C/C=C\C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)[O-] ZINC000582397753 478586295 /nfs/dbraw/zinc/58/62/95/478586295.db2.gz DOKLRUDWTJHZBP-PQDAEDAGSA-N -1 0 346.427 2.873 10 0 EFAERM CN(CC(F)(F)F)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000571419228 478593873 /nfs/dbraw/zinc/59/38/73/478593873.db2.gz XMTKVYAJTHRQSR-UHFFFAOYSA-N -1 0 332.322 2.968 10 0 EFAERM O=S(=O)([N-][C@@]1(C(F)(F)F)CCc2ccccc21)c1cscn1 ZINC000563713084 478622093 /nfs/dbraw/zinc/62/20/93/478622093.db2.gz FZAUFLJTRZVWSE-LBPRGKRZSA-N -1 0 348.371 2.825 10 0 EFAERM CCc1ccc(NC(=O)N[C@@H](Cc2ccccn2)C(=O)[O-])cc1F ZINC000582584300 478634110 /nfs/dbraw/zinc/63/41/10/478634110.db2.gz TUFSUQPOUYLGPF-HNNXBMFYSA-N -1 0 331.347 2.601 10 0 EFAERM CCc1cccc2c1OCC[C@@H]2NC(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000542433475 478651785 /nfs/dbraw/zinc/65/17/85/478651785.db2.gz FAPGBLKCIYILQC-AWEZNQCLSA-N -1 0 343.431 2.663 10 0 EFAERM Cc1ccc(F)c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000563974593 478677849 /nfs/dbraw/zinc/67/78/49/478677849.db2.gz LUBQRIJWXMFNGR-LBPRGKRZSA-N -1 0 343.401 2.690 10 0 EFAERM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)NCc1nccs1 ZINC000564032420 478682765 /nfs/dbraw/zinc/68/27/65/478682765.db2.gz MILJTFDJQQQXDQ-STQMWFEESA-N -1 0 337.445 2.708 10 0 EFAERM CCC(C)(C)[C@H](NS(=O)(=O)c1cc(OC)ccc1Cl)C(=O)[O-] ZINC000582785953 478684416 /nfs/dbraw/zinc/68/44/16/478684416.db2.gz QWZLZPKYDLLPHH-GFCCVEGCSA-N -1 0 349.836 2.516 10 0 EFAERM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000582782915 478684487 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CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)n(C(C)(C)C)n2)n1 ZINC000659185964 481259135 /nfs/dbraw/zinc/25/91/35/481259135.db2.gz TULNRMMBMSAUAW-CYBMUJFWSA-N -1 0 347.419 2.821 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)Cc2cc(C)ccc2OC)n1 ZINC000659186138 481259294 /nfs/dbraw/zinc/25/92/94/481259294.db2.gz VMFHZJRNRFMIGS-AWEZNQCLSA-N -1 0 345.399 2.807 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@@H]2OCCc3ccccc32)n1 ZINC000659187790 481260488 /nfs/dbraw/zinc/26/04/88/481260488.db2.gz RAEVWCALCPOEKE-GOEBONIOSA-N -1 0 343.383 2.561 10 0 EFAERM Cc1ccn2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)nc2c1 ZINC000659187387 481260767 /nfs/dbraw/zinc/26/07/67/481260767.db2.gz APUFNSMKAJMNIG-YCPHGPKFSA-N -1 0 341.411 2.748 10 0 EFAERM C[C@H](COc1c(F)cccc1F)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000659187383 481260957 /nfs/dbraw/zinc/26/09/57/481260957.db2.gz APOSALZIWUUGLG-VOMCLLRMSA-N -1 0 341.354 2.739 10 0 EFAERM Cc1ccccc1OCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659189103 481261541 /nfs/dbraw/zinc/26/15/41/481261541.db2.gz LTOIKQGCPGFPKB-JYJNAYRXSA-N -1 0 331.412 2.866 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(NC(C)=O)c2)n1 ZINC000659188246 481261570 /nfs/dbraw/zinc/26/15/70/481261570.db2.gz OWXZBCWBRSRMSR-AWEZNQCLSA-N -1 0 344.371 2.520 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)Cc2cccc(F)c2F)[C@@H]2CCCC[C@H]12 ZINC000659189542 481261657 /nfs/dbraw/zinc/26/16/57/481261657.db2.gz GURVTHCICRGTQM-UMVBOHGHSA-N -1 0 337.366 2.999 10 0 EFAERM CC(=O)Nc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000659189469 481261863 /nfs/dbraw/zinc/26/18/63/481261863.db2.gz NDLNSLWPNNFLJV-IKGGRYGDSA-N -1 0 344.411 2.751 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(NC(C)=O)cc2)n1 ZINC000659188404 481261993 /nfs/dbraw/zinc/26/19/93/481261993.db2.gz ROYSYQQWIVVBJT-AWEZNQCLSA-N -1 0 344.371 2.520 10 0 EFAERM COc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000659188515 481262065 /nfs/dbraw/zinc/26/20/65/481262065.db2.gz IPJFDTCXSNKREK-ULQDDVLXSA-N -1 0 331.412 2.730 10 0 EFAERM Cc1cccc(OCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000659189151 481262270 /nfs/dbraw/zinc/26/22/70/481262270.db2.gz MMXRDNKAAIOYGI-IXDOHACOSA-N -1 0 331.412 2.866 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cnc(C3CC3)s2)n1 ZINC000659188773 481262344 /nfs/dbraw/zinc/26/23/44/481262344.db2.gz SQBPGIJECHNZPL-JTQLQIEISA-N -1 0 334.401 2.895 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)Cc2ccc(OCC)cc2)n1 ZINC000659188358 481262548 /nfs/dbraw/zinc/26/25/48/481262548.db2.gz RBXLYWYJFHTURH-OAHLLOKOSA-N -1 0 345.399 2.889 10 0 EFAERM O=C([O-])Cc1cccc(C(=O)NCc2cccc(OC3CC3)c2F)c1 ZINC000659189551 481262599 /nfs/dbraw/zinc/26/25/99/481262599.db2.gz ODBKILJOOVALFF-UHFFFAOYSA-N -1 0 343.354 2.924 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2OCCc3ccccc32)[C@@H]2CCCC[C@H]12 ZINC000659190366 481263366 /nfs/dbraw/zinc/26/33/66/481263366.db2.gz ADJWWKNMUJKDSL-BRSBDYLESA-N -1 0 343.423 2.792 10 0 EFAERM Cc1nn(C(C)C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659191484 481263438 /nfs/dbraw/zinc/26/34/38/481263438.db2.gz LQJFAOAWHPBDGM-YCPHGPKFSA-N -1 0 333.432 2.878 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2OCCc3ccccc32)[C@H]2CCCC[C@H]12 ZINC000659190394 481263665 /nfs/dbraw/zinc/26/36/65/481263665.db2.gz ADJWWKNMUJKDSL-ZJPYXAASSA-N -1 0 343.423 2.792 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)Cc2noc3ccccc32)[C@@H]2CCCC[C@@H]12 ZINC000659191454 481263712 /nfs/dbraw/zinc/26/37/12/481263712.db2.gz WVVLBIXJURJNOD-WOSRLPQWSA-N -1 0 342.395 2.862 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)CN2CCc3ccccc32)[C@@H]2CCCC[C@@H]12 ZINC000659195307 481266476 /nfs/dbraw/zinc/26/64/76/481266476.db2.gz OVWISEYPYNPBCN-LZLYRXPVSA-N -1 0 342.439 2.541 10 0 EFAERM COc1ccc(F)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659196512 481267205 /nfs/dbraw/zinc/26/72/05/481267205.db2.gz WFXMRHHJHLKSGJ-IPYPFGDCSA-N -1 0 335.375 2.940 10 0 EFAERM CC(C)(C)c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)[nH]n1 ZINC000659196074 481267295 /nfs/dbraw/zinc/26/72/95/481267295.db2.gz SMEINBGSVYGGLE-OBJOEFQTSA-N -1 0 333.432 2.813 10 0 EFAERM COc1ccc(F)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659196515 481267498 /nfs/dbraw/zinc/26/74/98/481267498.db2.gz WFXMRHHJHLKSGJ-YDHLFZDLSA-N -1 0 335.375 2.940 10 0 EFAERM Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659196347 481267526 /nfs/dbraw/zinc/26/75/26/481267526.db2.gz TXLBPNAEEQEXHG-PUPMMZHASA-N -1 0 334.416 2.887 10 0 EFAERM COc1ccc(O)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000659196147 481267592 /nfs/dbraw/zinc/26/75/92/481267592.db2.gz SGIGUSGGRGRZNG-YDHLFZDLSA-N -1 0 333.384 2.506 10 0 EFAERM CCc1noc(CC)c1CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659196568 481267616 /nfs/dbraw/zinc/26/76/16/481267616.db2.gz VMRVUIAMKPUJMO-DVOMOZLQSA-N -1 0 348.443 2.834 10 0 EFAERM Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659196345 481267802 /nfs/dbraw/zinc/26/78/02/481267802.db2.gz TXLBPNAEEQEXHG-HJPIBITLSA-N -1 0 334.416 2.887 10 0 EFAERM COc1cccc([C@]2(C)CCN(C(=O)C3(C(=O)[O-])CCCC3)C2)c1 ZINC000659198702 481268586 /nfs/dbraw/zinc/26/85/86/481268586.db2.gz HUBDZKCCAGOCMZ-GOSISDBHSA-N -1 0 331.412 2.830 10 0 EFAERM C[C@]1(CNC(=O)c2cc(Br)cc(C(=O)[O-])c2)CC1(F)F ZINC000659197495 481268999 /nfs/dbraw/zinc/26/89/99/481268999.db2.gz DZYSHURQJMXNPX-GFCCVEGCSA-N -1 0 348.143 2.922 10 0 EFAERM CCCc1c(C(=O)NCc2ccoc2C(=O)[O-])[nH]c(C)c1C(C)=O ZINC000659197408 481269198 /nfs/dbraw/zinc/26/91/98/481269198.db2.gz CMRPKNNZPGIVDU-UHFFFAOYSA-N -1 0 332.356 2.699 10 0 EFAERM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@H]2c2cccc(F)c2)C1 ZINC000659200102 481270203 /nfs/dbraw/zinc/27/02/03/481270203.db2.gz UEGJJFVEDMZRRK-IIAWOOMASA-N -1 0 335.375 2.617 10 0 EFAERM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000659199780 481270371 /nfs/dbraw/zinc/27/03/71/481270371.db2.gz GFDRTLSSIBQEPJ-UHFFFAOYSA-N -1 0 341.289 2.974 10 0 EFAERM COCC1(CNC(=O)C[C@](C)(C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000653473564 481270534 /nfs/dbraw/zinc/27/05/34/481270534.db2.gz FVWNLZLYPGGTKG-INIZCTEOSA-N -1 0 339.819 2.615 10 0 EFAERM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccoc1C(=O)[O-] ZINC000659200564 481270550 /nfs/dbraw/zinc/27/05/50/481270550.db2.gz JAVUNSQCURTWRH-NSHDSACASA-N -1 0 329.352 2.550 10 0 EFAERM Cn1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c(C2CC2)n1 ZINC000642891992 481271526 /nfs/dbraw/zinc/27/15/26/481271526.db2.gz CSIKBYYUERREIM-UHFFFAOYSA-N -1 0 346.387 2.786 10 0 EFAERM CCOc1c(Cl)cccc1CC(=O)NCc1ccoc1C(=O)[O-] ZINC000659201570 481272046 /nfs/dbraw/zinc/27/20/46/481272046.db2.gz VOLMQUMSGSJLQH-UHFFFAOYSA-N -1 0 337.759 2.889 10 0 EFAERM CC(C)(C)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)nc1 ZINC000659202082 481272125 /nfs/dbraw/zinc/27/21/25/481272125.db2.gz CGRTUHHRVVKINN-UHFFFAOYSA-N -1 0 330.388 2.648 10 0 EFAERM Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659203613 481273029 /nfs/dbraw/zinc/27/30/29/481273029.db2.gz IXFOPJHPTMQHEE-LBPRGKRZSA-N -1 0 348.424 2.871 10 0 EFAERM Cc1cccc(C2(C(=O)Nc3ccn(C(C)(C)C(=O)[O-])n3)CC2)c1 ZINC000659203528 481273281 /nfs/dbraw/zinc/27/32/81/481273281.db2.gz GAIOXSCJEHNOAH-UHFFFAOYSA-N -1 0 327.384 2.682 10 0 EFAERM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@H]2CCCc3sccc32)n1 ZINC000659203501 481273407 /nfs/dbraw/zinc/27/34/07/481273407.db2.gz MOTVPYJRJDLGRW-NSHDSACASA-N -1 0 333.413 2.823 10 0 EFAERM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H]2CCCc3sccc32)n1 ZINC000659203500 481273625 /nfs/dbraw/zinc/27/36/25/481273625.db2.gz MOTVPYJRJDLGRW-LLVKDONJSA-N -1 0 333.413 2.823 10 0 EFAERM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000659205212 481274985 /nfs/dbraw/zinc/27/49/85/481274985.db2.gz YYGSEUIWMNHMKL-UWVGGRQHSA-N -1 0 349.337 2.723 10 0 EFAERM COCc1c2ccccc2oc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659205359 481275345 /nfs/dbraw/zinc/27/53/45/481275345.db2.gz UCSULGPPENELCW-GFCCVEGCSA-N -1 0 331.368 2.810 10 0 EFAERM C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659206117 481276542 /nfs/dbraw/zinc/27/65/42/481276542.db2.gz HDUGUDLDZIXPBP-JQWIXIFHSA-N -1 0 325.792 2.724 10 0 EFAERM O=C([O-])C[C@H](CNC(=O)c1cccn1Cc1cccs1)C1CC1 ZINC000659207742 481277583 /nfs/dbraw/zinc/27/75/83/481277583.db2.gz CGQIRZXXZQUZJY-CYBMUJFWSA-N -1 0 332.425 2.829 10 0 EFAERM Cc1c(Cl)cccc1OCC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659207685 481278129 /nfs/dbraw/zinc/27/81/29/481278129.db2.gz BOFVJEHITNMEHH-LBPRGKRZSA-N -1 0 325.792 2.644 10 0 EFAERM CO[C@H](C)c1nc(=NC(=O)NC[C@H]2C[C@@H]2c2ccccc2)s[n-]1 ZINC000646407176 481278455 /nfs/dbraw/zinc/27/84/55/481278455.db2.gz ILCUDYSVNZWXRF-RAIGVLPGSA-N -1 0 332.429 2.593 10 0 EFAERM Cc1cc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)nn1-c1ccc(C)cc1 ZINC000659210158 481279007 /nfs/dbraw/zinc/27/90/07/481279007.db2.gz RWBYWHCMHTXHII-HNNXBMFYSA-N -1 0 341.411 2.720 10 0 EFAERM COc1ccc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)c(OC(C)C)c1 ZINC000659210514 481279396 /nfs/dbraw/zinc/27/93/96/481279396.db2.gz VTKIAYWGFOCNNN-ZDUSSCGKSA-N -1 0 335.400 2.713 10 0 EFAERM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659210421 481279411 /nfs/dbraw/zinc/27/94/11/481279411.db2.gz SYMGWOKBJKIKBV-BLLLJJGKSA-N -1 0 331.412 2.560 10 0 EFAERM C[C@@](CCF)(NC(=O)CCc1ccccc1Br)C(=O)[O-] ZINC000659211908 481280401 /nfs/dbraw/zinc/28/04/01/481280401.db2.gz FUSMSVXTIYSMPS-AWEZNQCLSA-N -1 0 346.196 2.701 10 0 EFAERM Cc1oc(Br)cc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659211330 481280464 /nfs/dbraw/zinc/28/04/64/481280464.db2.gz YGEROITXSBOFEJ-SECBINFHSA-N -1 0 330.178 2.581 10 0 EFAERM COc1ccc(Cl)cc1CC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659210777 481281092 /nfs/dbraw/zinc/28/10/92/481281092.db2.gz USFILGVTOYPGSV-GFCCVEGCSA-N -1 0 325.792 2.508 10 0 EFAERM CC(C)c1cc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)nn1C(C)(C)C ZINC000659212514 481281158 /nfs/dbraw/zinc/28/11/58/481281158.db2.gz ZGBGMXDIMMMTLW-ZDUSSCGKSA-N -1 0 335.448 2.992 10 0 EFAERM C[C@@](CCF)(NC(=O)COc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000659214331 481282177 /nfs/dbraw/zinc/28/21/77/481282177.db2.gz XAVKQSBECKZUSN-ZDUSSCGKSA-N -1 0 338.162 2.691 10 0 EFAERM Cc1cc(OCC(=O)N[C@](C)(CCF)C(=O)[O-])ccc1C(C)C ZINC000659213008 481282594 /nfs/dbraw/zinc/28/25/94/481282594.db2.gz PQSBWKIUZOAMPS-QGZVFWFLSA-N -1 0 325.380 2.816 10 0 EFAERM CC[C@H]1CCCC[C@H]1OCC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000659216095 481283379 /nfs/dbraw/zinc/28/33/79/481283379.db2.gz YECHERZAYQGJIO-XCRHUMRWSA-N -1 0 349.427 2.923 10 0 EFAERM CC[C@H]1CCCC[C@@H]1OCC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000659216094 481284012 /nfs/dbraw/zinc/28/40/12/481284012.db2.gz YECHERZAYQGJIO-OWQGQXMQSA-N -1 0 349.427 2.923 10 0 EFAERM CC[C@H](Oc1ccccc1Cl)C(=O)N[C@](C)(CCF)C(=O)[O-] ZINC000659217160 481284781 /nfs/dbraw/zinc/28/47/81/481284781.db2.gz XUATYHKPSBRUAX-XHDPSFHLSA-N -1 0 331.771 2.817 10 0 EFAERM Cc1ccc(C(=O)N[C@](C)(CCF)C(=O)[O-])c(Br)c1 ZINC000659217359 481285118 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CC(C)(C(=O)[O-])n1cc(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)cn1 ZINC000263551422 534389374 /nfs/dbraw/zinc/38/93/74/534389374.db2.gz WPIIELXROTZTOF-ZFWWWQNUSA-N -1 0 327.384 2.835 10 0 EFAERM C=COc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000263031800 519294093 /nfs/dbraw/zinc/29/40/93/519294093.db2.gz BJCQVHSNLZTFDM-VXGBXAGGSA-N -1 0 344.289 2.936 10 0 EFAERM CC(C)OCc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1 ZINC000261612949 519775245 /nfs/dbraw/zinc/77/52/45/519775245.db2.gz DXJGUHUVKZVMDV-ULQDDVLXSA-N -1 0 331.412 2.937 10 0 EFAERM CC(C)Oc1cccc(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000262944655 519782697 /nfs/dbraw/zinc/78/26/97/519782697.db2.gz KYMAVPOCYSKLCP-LESCRADOSA-N -1 0 331.412 2.728 10 0 EFAERM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CCc2nc3ccccc3o2)C1 ZINC000263007840 519808376 /nfs/dbraw/zinc/80/83/76/519808376.db2.gz WWLZEHUBJUJALQ-GOSISDBHSA-N -1 0 330.384 2.720 10 0 EFAERM CC(C)c1cccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000263250643 519843601 /nfs/dbraw/zinc/84/36/01/519843601.db2.gz SSTYIROJSWAOSP-WFASDCNBSA-N -1 0 325.430 2.684 10 0 EFAERM CCN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC000263344353 519968492 /nfs/dbraw/zinc/96/84/92/519968492.db2.gz GGKSESVPICSVEI-HNNXBMFYSA-N -1 0 334.416 2.874 10 0 EFAERM CCCOc1ccc(C(=O)CCC(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000263281860 520331076 /nfs/dbraw/zinc/33/10/76/520331076.db2.gz OPZJUOKVFLNART-UHFFFAOYSA-N -1 0 333.384 2.514 10 0 EFAERM CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000183751926 520554432 /nfs/dbraw/zinc/55/44/32/520554432.db2.gz SESBAMYHSSFWRK-UHFFFAOYSA-N -1 0 330.340 2.712 10 0 EFAERM CCC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1)C(C)C ZINC000263187437 520579979 /nfs/dbraw/zinc/57/99/79/520579979.db2.gz MDVHARCDOCXIDF-OAGGEKHMSA-N -1 0 325.449 2.787 10 0 EFAERM CCOc1cc(CCCNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1OC ZINC000263191698 520694342 /nfs/dbraw/zinc/69/43/42/520694342.db2.gz IPAQONNTOSNCRQ-CABCVRRESA-N -1 0 349.427 2.644 10 0 EFAERM CCC[C@@H](CNC(=O)Cc1coc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000263118701 520707329 /nfs/dbraw/zinc/70/73/29/520707329.db2.gz GOZYVUIXUBDITO-LBPRGKRZSA-N -1 0 334.347 2.640 10 0 EFAERM CCC[C@@H](CNC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)C(=O)[O-] ZINC000263238309 520707851 /nfs/dbraw/zinc/70/78/51/520707851.db2.gz SYWRCVVNAAVDOO-STQMWFEESA-N -1 0 346.431 2.941 10 0 EFAERM CCC[C@@H](CNC(=O)c1ccn(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000263166706 520708085 /nfs/dbraw/zinc/70/80/85/520708085.db2.gz KEUWNHOKZHPPLK-NSHDSACASA-N -1 0 335.791 2.756 10 0 EFAERM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)O1 ZINC000188162797 534522676 /nfs/dbraw/zinc/52/26/76/534522676.db2.gz ALGCCTXIJIOUML-NEPJUHHUSA-N -1 0 331.290 2.752 10 0 EFAERM CCC[C@H](CNC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)C(=O)[O-] ZINC000263238308 521101388 /nfs/dbraw/zinc/10/13/88/521101388.db2.gz SYWRCVVNAAVDOO-QWHCGFSZSA-N -1 0 346.431 2.941 10 0 EFAERM CCC[C@H](CNC(=O)c1ccc(Cn2nc(C)cc2C)cc1)C(=O)[O-] ZINC000263191886 521101904 /nfs/dbraw/zinc/10/19/04/521101904.db2.gz MPBKHJSCLFDJQH-QGZVFWFLSA-N -1 0 343.427 2.779 10 0 EFAERM CCC(CC)(CNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)SC ZINC000263152622 521433395 /nfs/dbraw/zinc/43/33/95/521433395.db2.gz BEPVJASLWNHNJX-BLLLJJGKSA-N -1 0 328.478 2.805 10 0 EFAERM CCC(CC)c1cc(C(=O)NCCc2nc(C(=O)[O-])cs2)on1 ZINC000263088004 521630402 /nfs/dbraw/zinc/63/04/02/521630402.db2.gz QGTWGOXCMQPSSS-UHFFFAOYSA-N -1 0 337.401 2.705 10 0 EFAERM CCN1CCc2nc([N-]S(=O)(=O)c3cc(C)oc3C)sc2C1 ZINC000183104402 521725198 /nfs/dbraw/zinc/72/51/98/521725198.db2.gz ZYZRJYOPMPLDQU-UHFFFAOYSA-N -1 0 341.458 2.532 10 0 EFAERM COCCOc1ncccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000076195207 521756880 /nfs/dbraw/zinc/75/68/80/521756880.db2.gz REKZDCPVTPYUCF-UHFFFAOYSA-N -1 0 342.804 2.561 10 0 EFAERM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ncccc1Cl ZINC000180202371 521756806 /nfs/dbraw/zinc/75/68/06/521756806.db2.gz RQQHIODASGUIBG-UHFFFAOYSA-N -1 0 344.776 2.532 10 0 EFAERM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000193035678 521758638 /nfs/dbraw/zinc/75/86/38/521758638.db2.gz BCBWXIXWHHVVSM-UHFFFAOYSA-N -1 0 341.360 2.931 10 0 EFAERM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000074935601 521794042 /nfs/dbraw/zinc/79/40/42/521794042.db2.gz NRKQVTCKJHQNIM-UHFFFAOYSA-N -1 0 331.397 2.989 10 0 EFAERM CC[C@H](C)[C@@H](NC(=O)c1ccc(OCC(C)C)c(OC)c1)C(=O)[O-] ZINC000262989979 521854423 /nfs/dbraw/zinc/85/44/23/521854423.db2.gz NOKSPTAXNQPELV-BLLLJJGKSA-N -1 0 337.416 2.959 10 0 EFAERM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(CC(=O)[O-])CC(C)C ZINC000262742994 522084395 /nfs/dbraw/zinc/08/43/95/522084395.db2.gz HAYGGQCELURDID-ZDUSSCGKSA-N -1 0 346.431 2.894 10 0 EFAERM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1Cl ZINC000137173191 522160610 /nfs/dbraw/zinc/16/06/10/522160610.db2.gz ROCLIMNHIRGLKY-UHFFFAOYSA-N -1 0 346.817 2.692 10 0 EFAERM CC[C@@H](C)[C@H](NC(=O)c1ccc(OCC(C)C)c(OC)c1)C(=O)[O-] ZINC000262989997 522380579 /nfs/dbraw/zinc/38/05/79/522380579.db2.gz NOKSPTAXNQPELV-WBMJQRKESA-N -1 0 337.416 2.959 10 0 EFAERM COc1cc(Cl)c(C)cc1NC(=O)CN([C@H](C)C(=O)[O-])C1CC1 ZINC000263026575 522512390 /nfs/dbraw/zinc/51/23/90/522512390.db2.gz AUBIORYTMFLAFW-SNVBAGLBSA-N -1 0 340.807 2.533 10 0 EFAERM COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263081762 522521837 /nfs/dbraw/zinc/52/18/37/522521837.db2.gz RGFRFGWQIDHTMN-ZETCQYMHSA-N -1 0 333.171 2.940 10 0 EFAERM CC[C@@H](CSC)NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263231523 522608424 /nfs/dbraw/zinc/60/84/24/522608424.db2.gz MLNHSHFRKGATON-GJZGRUSLSA-N -1 0 338.473 2.903 10 0 EFAERM COC[C@]1(C(=O)[O-])CCN(C(=O)CCC(C)(C)c2ccccc2)C1 ZINC000263052275 522891268 /nfs/dbraw/zinc/89/12/68/522891268.db2.gz QBIZLNQSZYXASC-IBGZPJMESA-N -1 0 333.428 2.694 10 0 EFAERM COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000262992970 522891616 /nfs/dbraw/zinc/89/16/16/522891616.db2.gz VKEVHGKZEVEKHJ-PMACEKPBSA-N -1 0 345.439 2.620 10 0 EFAERM CCc1oc(C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1C ZINC000262937595 522996127 /nfs/dbraw/zinc/99/61/27/522996127.db2.gz GLNNLCQJTMNHCL-INIZCTEOSA-N -1 0 329.352 2.641 10 0 EFAERM CCc1ocnc1C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262980324 523027632 /nfs/dbraw/zinc/02/76/32/523027632.db2.gz JKNVJGGPMVJTNU-ZFWWWQNUSA-N -1 0 342.395 2.930 10 0 EFAERM CC[C@@H](Sc1ccccc1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000263040643 523085388 /nfs/dbraw/zinc/08/53/88/523085388.db2.gz DAAIIMZGIFZDLR-IUODEOHRSA-N -1 0 325.455 2.634 10 0 EFAERM COCc1ccsc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000262994655 523133946 /nfs/dbraw/zinc/13/39/46/523133946.db2.gz TXYSFSWDJSOUNU-CQSZACIVSA-N -1 0 331.393 2.719 10 0 EFAERM CN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000057086154 523156764 /nfs/dbraw/zinc/15/67/64/523156764.db2.gz YPRVNQVQDSZWSF-UHFFFAOYSA-N -1 0 330.338 2.883 10 0 EFAERM COCc1csc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)n1 ZINC000181320645 523163821 /nfs/dbraw/zinc/16/38/21/523163821.db2.gz GOIMNHFUJSBKFX-UHFFFAOYSA-N -1 0 346.405 2.546 10 0 EFAERM CN(Cc1cc(Br)cs1)C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000085412740 523167432 /nfs/dbraw/zinc/16/74/32/523167432.db2.gz HGUOPIMYXVWBTO-VHSXEESVSA-N -1 0 346.246 2.826 10 0 EFAERM CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)CC1 ZINC000263201220 523190346 /nfs/dbraw/zinc/19/03/46/523190346.db2.gz NSKASDFRBJNUCZ-DZUCGIPZSA-N -1 0 337.460 2.931 10 0 EFAERM CN(Cc1ccc(F)cc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000072857254 523251628 /nfs/dbraw/zinc/25/16/28/523251628.db2.gz VNKZJNXRJKIONS-UHFFFAOYSA-N -1 0 325.343 2.989 10 0 EFAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@H](C2OCCO2)C1 ZINC000171616705 534701213 /nfs/dbraw/zinc/70/12/13/534701213.db2.gz KOKRUGYJLYZWKO-VIFPVBQESA-N -1 0 346.210 2.924 10 0 EFAERM CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263326073 523551976 /nfs/dbraw/zinc/55/19/76/523551976.db2.gz OSYYQVQBKISZOP-SFYZADRCSA-N -1 0 336.335 2.621 10 0 EFAERM COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262640462 523748115 /nfs/dbraw/zinc/74/81/15/523748115.db2.gz HPUGPCXWLREZHA-STQMWFEESA-N -1 0 343.782 2.565 10 0 EFAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC000263059137 523752715 /nfs/dbraw/zinc/75/27/15/523752715.db2.gz OJEXCKHYGUOESM-GRYCIOLGSA-N -1 0 337.441 2.577 10 0 EFAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000263108800 523753639 /nfs/dbraw/zinc/75/36/39/523753639.db2.gz ROKGUGKGMNPTND-VHSXEESVSA-N -1 0 346.210 2.627 10 0 EFAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)Cc2coc3cc(C)c(C)cc23)C1 ZINC000263101066 523753907 /nfs/dbraw/zinc/75/39/07/523753907.db2.gz RBZQAMURCOVEBC-LSDHHAIUSA-N -1 0 345.395 2.683 10 0 EFAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)C1 ZINC000262120760 523765341 /nfs/dbraw/zinc/76/53/41/523765341.db2.gz IPSCUHRMAOIVRC-YSVLISHTSA-N -1 0 349.427 2.586 10 0 EFAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000263036577 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EFAERM Cc1cccc(F)c1S(=O)(=O)N1CCCC[C@@H]1C[C@H](C)C(=O)[O-] ZINC000656174949 546709576 /nfs/dbraw/zinc/70/95/76/546709576.db2.gz ZQOMLWWVCXINPR-QWHCGFSZSA-N -1 0 343.420 2.788 10 0 EFAERM CC(C)Oc1cncc([N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000656187347 546713815 /nfs/dbraw/zinc/71/38/15/546713815.db2.gz VZXXDTDHQGPNKH-UHFFFAOYSA-N -1 0 333.822 2.780 10 0 EFAERM Cc1cccc(S(=O)(=O)[N-]c2cncc(OC(C)C)n2)c1F ZINC000656186699 546714521 /nfs/dbraw/zinc/71/45/21/546714521.db2.gz OJODDUNBFXSZMM-UHFFFAOYSA-N -1 0 325.365 2.512 10 0 EFAERM Cc1cccc(C)c1CS(=O)(=O)[N-]c1cncc(OC(C)C)n1 ZINC000656186885 546714581 /nfs/dbraw/zinc/71/45/81/546714581.db2.gz TWZPPEVIKNYXNU-UHFFFAOYSA-N -1 0 335.429 2.823 10 0 EFAERM O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(OCC(F)(F)F)o1)CC2 ZINC000656232678 546733932 /nfs/dbraw/zinc/73/39/32/546733932.db2.gz MONODPSICOAMIA-SECBINFHSA-N -1 0 347.289 2.548 10 0 EFAERM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC000656238979 546737658 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1302787617 /nfs/dbraw/zinc/78/76/17/1302787617.db2.gz ZJUBHZPJSZVFNG-OAHLLOKOSA-N -1 0 341.454 2.810 10 0 EFAERM O=C([O-])[C@H]1CN(C(=O)C[C@H]2Cc3ccccc3O2)Cc2ccccc21 ZINC000864129913 1302788499 /nfs/dbraw/zinc/78/84/99/1302788499.db2.gz JGHKGTIQMNGEEU-WBVHZDCISA-N -1 0 337.375 2.591 10 0 EFAERM Cc1cccc(OC(F)F)c1NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC000864128449 1302788731 /nfs/dbraw/zinc/78/87/31/1302788731.db2.gz HEOYBHBFMLHFQN-UHFFFAOYSA-N -1 0 343.326 2.806 10 0 EFAERM CCO[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C1CCCC1 ZINC000864130083 1302789888 /nfs/dbraw/zinc/78/98/88/1302789888.db2.gz GJKRCGKNPNEBRP-QGZVFWFLSA-N -1 0 331.412 2.865 10 0 EFAERM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864137181 1302791152 /nfs/dbraw/zinc/79/11/52/1302791152.db2.gz OTNOKXHEKFEQLA-POTBRQHYSA-N -1 0 341.363 2.842 10 0 EFAERM CCOC1CC2(C[C@H]2C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000864135763 1302791236 /nfs/dbraw/zinc/79/12/36/1302791236.db2.gz UXIHDSNSSCBTFZ-HMFCVHIJSA-N -1 0 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EFAERM O=C([O-])[C@@H](CNC(=O)CCc1ccc(F)cc1F)Cc1ccccc1 ZINC000909183864 727339101 /nfs/dbraw/zinc/33/91/01/727339101.db2.gz URCYRDJUNBHXBC-OAHLLOKOSA-N -1 0 347.361 2.957 10 0 EFAERM CCC(CC)n1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000909184467 727339156 /nfs/dbraw/zinc/33/91/56/727339156.db2.gz ZYSGGSXKOBXVSM-HNNXBMFYSA-N -1 0 343.427 2.918 10 0 EFAERM Cc1cc(C)c(CNC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cn1 ZINC000909166745 727340492 /nfs/dbraw/zinc/34/04/92/727340492.db2.gz IPTDKLNUYQATPP-HNNXBMFYSA-N -1 0 341.411 2.883 10 0 EFAERM C[C@@](CCF)(NC(=O)N[C@H]1C[C@H](c2ccccc2F)C1)C(=O)[O-] ZINC000909217568 727341473 /nfs/dbraw/zinc/34/14/73/727341473.db2.gz OCZTYSKJRWXOLC-MMPTUQATSA-N -1 0 326.343 2.574 10 0 EFAERM O=C([O-])[C@@H](CF)NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000909217954 727341567 /nfs/dbraw/zinc/34/15/67/727341567.db2.gz PEDVEMQVCQEKRE-YUSALJHKSA-N -1 0 348.296 2.673 10 0 EFAERM CO[C@H]1CCN(C(=O)NCC(C)(C)C2=CCCCC2)[C@H](C(=O)[O-])C1 ZINC000909194280 727342225 /nfs/dbraw/zinc/34/22/25/727342225.db2.gz ASZRGAHMSVPLKB-GJZGRUSLSA-N -1 0 338.448 2.787 10 0 EFAERM CC(C)(C)C[C@H](O)CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000909193778 727342357 /nfs/dbraw/zinc/34/23/57/727342357.db2.gz LGMRMELJHNUUJH-CQSZACIVSA-N -1 0 332.400 2.852 10 0 EFAERM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)NCC1(C(F)(F)F)CC1 ZINC000909214277 727345756 /nfs/dbraw/zinc/34/57/56/727345756.db2.gz MVKIXEDAQFOBJN-UHFFFAOYSA-N -1 0 348.296 2.764 10 0 EFAERM CC(C)(CNC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C(F)(F)F ZINC000909214418 727345762 /nfs/dbraw/zinc/34/57/62/727345762.db2.gz PXFPCNVTQYKRIO-GFCCVEGCSA-N -1 0 344.333 2.796 10 0 EFAERM COc1ccc([C@H](NC(=O)NC[C@@H](C)CC(F)F)C(=O)[O-])cc1F ZINC000909243360 727346630 /nfs/dbraw/zinc/34/66/30/727346630.db2.gz DLHKTZBRCQVCRY-SDBXPKJASA-N -1 0 348.321 2.551 10 0 EFAERM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000909243467 727346930 /nfs/dbraw/zinc/34/69/30/727346930.db2.gz ZNKSNLMXPSZOJC-ARLBYUKCSA-N -1 0 338.448 2.524 10 0 EFAERM C[C@@H](CNC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-])CC(F)F ZINC000909245076 727347086 /nfs/dbraw/zinc/34/70/86/727347086.db2.gz ZURKENRMUYMJMO-YGRLFVJLSA-N -1 0 342.342 2.508 10 0 EFAERM COC1(C[C@H](NC(=O)NCCC(C)(C)C2CC2)C(=O)[O-])CCC1 ZINC000909225227 727348802 /nfs/dbraw/zinc/34/88/02/727348802.db2.gz AAOKIPPLROODNZ-ZDUSSCGKSA-N -1 0 326.437 2.524 10 0 EFAERM CC(C)(C)O[C@H]1C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000909235537 727350393 /nfs/dbraw/zinc/35/03/93/727350393.db2.gz LYROQMFSYVBWLZ-HBUWYVDXSA-N -1 0 334.416 2.632 10 0 EFAERM CC(C)(C)OCC[C@@H](NC(=O)NC[C@@H]1C[C@H]1c1ccccc1)C(=O)[O-] ZINC000909236137 727350508 /nfs/dbraw/zinc/35/05/08/727350508.db2.gz GCMYBSWXROYHSL-HRCADAONSA-N -1 0 348.443 2.748 10 0 EFAERM COC1(C[C@H](NC(=O)NC[C@@H]2C[C@H]2c2ccccc2)C(=O)[O-])CCC1 ZINC000909235739 727350608 /nfs/dbraw/zinc/35/06/08/727350608.db2.gz BASGPRRUZFKRTA-JYJNAYRXSA-N -1 0 346.427 2.502 10 0 EFAERM O=C([O-])[C@H]1c2ccoc2CCN1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000909235729 727350647 /nfs/dbraw/zinc/35/06/47/727350647.db2.gz ASFQKYWEAOFIEA-JLJPHGGASA-N -1 0 340.379 2.777 10 0 EFAERM COCC1(CCNC(=O)N2c3ccccc3C[C@@H](C)[C@H]2C(=O)[O-])CC1 ZINC000909237453 727350765 /nfs/dbraw/zinc/35/07/65/727350765.db2.gz JRVMPFHLCGKOEK-CJNGLKHVSA-N -1 0 346.427 2.665 10 0 EFAERM Cc1cccc(C[C@H](CNC(=O)[C@H](C)c2ccncc2)C(=O)[O-])c1 ZINC000909237583 727350802 /nfs/dbraw/zinc/35/08/02/727350802.db2.gz HBBZFRAPUYDUFF-RHSMWYFYSA-N -1 0 326.396 2.553 10 0 EFAERM Cc1cccc(C[C@@H](CNC(=O)C[C@@H]2CC(C)(C)CO2)C(=O)[O-])c1 ZINC000909238948 727351076 /nfs/dbraw/zinc/35/10/76/727351076.db2.gz MEMREYVCKHMGCB-JKSUJKDBSA-N -1 0 333.428 2.560 10 0 EFAERM Cc1ccc(F)c(CC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000909239939 727351085 /nfs/dbraw/zinc/35/10/85/727351085.db2.gz VBNVNFNEGBWTIG-HNNXBMFYSA-N -1 0 347.361 2.875 10 0 EFAERM CCC1CCC(NC(=O)NCCC2(COC)CC2)(C(=O)[O-])CC1 ZINC000909240615 727351222 /nfs/dbraw/zinc/35/12/22/727351222.db2.gz YVBJAXJFRGGTKE-UHFFFAOYSA-N -1 0 326.437 2.526 10 0 EFAERM COCC1(CCNC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000909239947 727351229 /nfs/dbraw/zinc/35/12/29/727351229.db2.gz VCOVOZZWXQQBEZ-OAHLLOKOSA-N -1 0 334.416 2.545 10 0 EFAERM CC(C)CCO[C@H]1CC[C@H](NC(=O)N[C@](C)(C(=O)[O-])C2CC2)CC1 ZINC000909247315 727351963 /nfs/dbraw/zinc/35/19/63/727351963.db2.gz ISHHSPMOPPSTTO-MPGHIAIKSA-N -1 0 340.464 2.913 10 0 EFAERM CC(C)CCO[C@H]1CC[C@H](NC(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1 ZINC000909247344 727352006 /nfs/dbraw/zinc/35/20/06/727352006.db2.gz JSSWJGKZNNJXEE-JYJNAYRXSA-N -1 0 340.464 2.913 10 0 EFAERM COc1ccc([C@H](NC(=O)NCC(F)(F)C(C)(C)C)C(=O)[O-])cc1 ZINC000909247256 727352044 /nfs/dbraw/zinc/35/20/44/727352044.db2.gz HMLPRQPNGXBGQX-LBPRGKRZSA-N -1 0 344.358 2.802 10 0 EFAERM C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC(F)(F)c1cc(F)cc(F)c1 ZINC000909247415 727352197 /nfs/dbraw/zinc/35/21/97/727352197.db2.gz LBSOCRWWEVNEMZ-AWEZNQCLSA-N -1 0 348.296 2.705 10 0 EFAERM O=C([O-])c1csc(CNC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)n1 ZINC000909260322 727354161 /nfs/dbraw/zinc/35/41/61/727354161.db2.gz RUZNDMGNNXTLLI-CYBMUJFWSA-N -1 0 346.408 2.747 10 0 EFAERM Cc1cc(N(C)C)cc(C)c1CC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000909262308 727354631 /nfs/dbraw/zinc/35/46/31/727354631.db2.gz SNBOJYBCOFHXON-UHFFFAOYSA-N -1 0 330.384 2.520 10 0 EFAERM COc1c(Br)ccc(C)c1C(=O)NCC(C)(C)C(=O)[O-] ZINC000909276868 727358014 /nfs/dbraw/zinc/35/80/14/727358014.db2.gz AACYMJKCHLYRAL-UHFFFAOYSA-N -1 0 344.205 2.607 10 0 EFAERM C[C@]1(Br)C[C@@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000909283919 727359106 /nfs/dbraw/zinc/35/91/06/727359106.db2.gz TTZGGYZDTBFIMO-RISCZKNCSA-N -1 0 326.190 2.816 10 0 EFAERM CCC1CCC(NC(=O)[C@@H](OC)c2ccc(O)cc2)(C(=O)[O-])CC1 ZINC000909315835 727359616 /nfs/dbraw/zinc/35/96/16/727359616.db2.gz CFUQIHVDTMXSOY-KVIBHRHWSA-N -1 0 335.400 2.620 10 0 EFAERM CCOc1cc(/C=C\C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])ccc1O ZINC000909679310 727360181 /nfs/dbraw/zinc/36/01/81/727360181.db2.gz USPYIZCRISUXEG-GYYBMTFISA-N -1 0 345.395 2.516 10 0 EFAERM CCOc1cc(/C=C/C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])ccc1O ZINC000909679314 727360243 /nfs/dbraw/zinc/36/02/43/727360243.db2.gz USPYIZCRISUXEG-OHPUWRGGSA-N -1 0 345.395 2.516 10 0 EFAERM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1 ZINC000909679888 727360318 /nfs/dbraw/zinc/36/03/18/727360318.db2.gz RPQLOPNKFAFWFY-OGCZYDBJSA-N -1 0 342.439 2.568 10 0 EFAERM COc1nc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc2ccccc21 ZINC000909680635 727360435 /nfs/dbraw/zinc/36/04/35/727360435.db2.gz YEDLFJGPSCYCKF-ZENOOKHLSA-N -1 0 340.379 2.569 10 0 EFAERM C[C@](CC(=O)[O-])(NC(=O)C[C@H]1CCCC[C@@H]1O)c1cccc(F)c1 ZINC000909680749 727360509 /nfs/dbraw/zinc/36/05/09/727360509.db2.gz GSUGPXWGXHFDOH-HNJNHCNJSA-N -1 0 337.391 2.573 10 0 EFAERM Cc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c(C)n1 ZINC000909683228 727360886 /nfs/dbraw/zinc/36/08/86/727360886.db2.gz SBQAKSVZHJKLTO-SFHVURJKSA-N -1 0 330.359 2.957 10 0 EFAERM C[C@](CC(=O)[O-])(NC(=O)C[C@H]1CC(C)(C)CO1)c1cccc(F)c1 ZINC000909682752 727360950 /nfs/dbraw/zinc/36/09/50/727360950.db2.gz YIZCDICUJCGXNJ-KBXCAEBGSA-N -1 0 337.391 2.837 10 0 EFAERM Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c2cc(F)ccc21 ZINC000909685086 727361374 /nfs/dbraw/zinc/36/13/74/727361374.db2.gz ZGYGQSMADONYNQ-PKWAYOAASA-N -1 0 330.359 2.643 10 0 EFAERM Cc1ccc(Nc2scnc2C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000909308857 727362103 /nfs/dbraw/zinc/36/21/03/727362103.db2.gz DCVDSBRDWYZAQU-INIZCTEOSA-N -1 0 349.387 2.834 10 0 EFAERM Cc1cc2scc(CC(=O)N[C@]3(CC(=O)[O-])CCOC3)c2s1 ZINC000909696713 727363096 /nfs/dbraw/zinc/36/30/96/727363096.db2.gz UCRANUIBLWTTAF-HNNXBMFYSA-N -1 0 339.438 2.564 10 0 EFAERM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CC2CC(OC(C)(C)C)C2)C1 ZINC000909697430 727363334 /nfs/dbraw/zinc/36/33/34/727363334.db2.gz FWOYQIVTSIEAAB-WTNGLUPJSA-N -1 0 325.449 2.930 10 0 EFAERM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc(N3CC[C@H](C)C3)c2)C1 ZINC000909698708 727363741 /nfs/dbraw/zinc/36/37/41/727363741.db2.gz AAWUNYUHOMDPQW-LIRRHRJNSA-N -1 0 345.443 2.501 10 0 EFAERM COc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1Cl ZINC000909700726 727364046 /nfs/dbraw/zinc/36/40/46/727364046.db2.gz OMUKNLFWJGXWQX-MRXNPFEDSA-N -1 0 325.792 2.922 10 0 EFAERM Cc1nc(CC(C)C)oc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000909701734 727364315 /nfs/dbraw/zinc/36/43/15/727364315.db2.gz DCFLEQDXLNRNOX-CQSZACIVSA-N -1 0 348.374 2.919 10 0 EFAERM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC000909702121 727364454 /nfs/dbraw/zinc/36/44/54/727364454.db2.gz XYVIRYRDSXJIBI-GOSISDBHSA-N -1 0 327.384 2.650 10 0 EFAERM COC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)cccc2Cl)C1 ZINC000909709084 727365772 /nfs/dbraw/zinc/36/57/72/727365772.db2.gz BJGDXBRVRAYKHY-QGZVFWFLSA-N -1 0 339.819 2.531 10 0 EFAERM Cc1ccc([C@H](NC(=O)[C@@H]2C[C@@]2(C)Br)C(=O)[O-])cc1C ZINC000909692461 727367422 /nfs/dbraw/zinc/36/74/22/727367422.db2.gz CIVPAPYHKYRRQN-SLEUVZQESA-N -1 0 340.217 2.719 10 0 EFAERM Cc1ccc([C@H](NC(=O)[C@H]2C[C@]2(C)Br)C(=O)[O-])cc1C ZINC000909692463 727367433 /nfs/dbraw/zinc/36/74/33/727367433.db2.gz CIVPAPYHKYRRQN-XUJVJEKNSA-N -1 0 340.217 2.719 10 0 EFAERM Cc1ccc([C@@H](NC(=O)c2onc3c2CCCC3)C(=O)[O-])cc1C ZINC000909692164 727367474 /nfs/dbraw/zinc/36/74/74/727367474.db2.gz BJETXBGLYYZXAI-OAHLLOKOSA-N -1 0 328.368 2.726 10 0 EFAERM Cc1ccc([C@H](NC(=O)[C@@H]2C[C@]2(C)Br)C(=O)[O-])cc1C ZINC000909692460 727367546 /nfs/dbraw/zinc/36/75/46/727367546.db2.gz CIVPAPYHKYRRQN-HUBLWGQQSA-N -1 0 340.217 2.719 10 0 EFAERM CO[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000909719677 727368439 /nfs/dbraw/zinc/36/84/39/727368439.db2.gz BMISLGPVEKOJFI-CYZMBNFOSA-N -1 0 345.317 2.762 10 0 EFAERM O=C([O-])c1ccn(CCCC(=O)N2CCC(c3ccsc3)CC2)n1 ZINC000909726375 727369567 /nfs/dbraw/zinc/36/95/67/727369567.db2.gz SKPJBKPISWXGHW-UHFFFAOYSA-N -1 0 347.440 2.829 10 0 EFAERM COC[C@@H](NC(=O)c1oc(C(=O)[O-])cc1C)c1ccc(F)c(F)c1 ZINC000909728253 727369941 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273056435 /nfs/dbraw/zinc/05/64/35/273056435.db2.gz CFZQYHVCKRMVEN-RKDXNWHRSA-N -1 0 334.199 2.575 10 0 EFAERM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)cc1 ZINC000263224952 273076058 /nfs/dbraw/zinc/07/60/58/273076058.db2.gz LNLYXXMQMSDCDA-DLBZAZTESA-N -1 0 340.379 2.714 10 0 EFAERM O=C([O-])[C@H]1CN(C(=O)c2cccc(Br)c2)C[C@@H]1C1CC1 ZINC000262670941 273075578 /nfs/dbraw/zinc/07/55/78/273075578.db2.gz QVVTXMZXFXSXCK-OLZOCXBDSA-N -1 0 338.201 2.632 10 0 EFAERM C[C@@H](CN(C)C(=O)NCCCO[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263224434 273075959 /nfs/dbraw/zinc/07/59/59/273075959.db2.gz LKMOZPJHSAGGRK-WMLDXEAASA-N -1 0 348.443 2.833 10 0 EFAERM Cc1cccc(CS(=O)(=O)N[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000274956281 273135449 /nfs/dbraw/zinc/13/54/49/273135449.db2.gz UEPYZBNRNJCEQB-AWEZNQCLSA-N -1 0 339.438 2.692 10 0 EFAERM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000279431389 273214672 /nfs/dbraw/zinc/21/46/72/273214672.db2.gz ZAZGQIKBLPQNDT-MRXNPFEDSA-N -1 0 338.367 2.778 10 0 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MYQMGVGXHALQHA-UHFFFAOYSA-N -1 0 336.438 2.848 10 0 EFAERM CCO[C@H]1C[C@@H](NC(=O)c2s[n-]c(=O)c2Cl)C12CCCC2 ZINC000283570760 273731792 /nfs/dbraw/zinc/73/17/92/273731792.db2.gz WILXRVMBDCCCOT-BDAKNGLRSA-N -1 0 330.837 2.970 10 0 EFAERM O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1s[n-]c(=O)c1Cl ZINC000283587420 273733963 /nfs/dbraw/zinc/73/39/63/273733963.db2.gz XLKHUNIHTUWKOK-LBPRGKRZSA-N -1 0 338.816 2.746 10 0 EFAERM O=C(c1s[n-]c(=O)c1Cl)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000283736576 273752612 /nfs/dbraw/zinc/75/26/12/273752612.db2.gz MLCMVPDUNGDIMS-JTQLQIEISA-N -1 0 342.804 2.917 10 0 EFAERM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CC3(CO)CC3)n2)c1 ZINC000283750452 273754050 /nfs/dbraw/zinc/75/40/50/273754050.db2.gz QGLDGIRPIYSNBV-UHFFFAOYSA-N -1 0 343.427 2.546 10 0 EFAERM CO[C@H](C)CS(=O)(=O)[N-]c1nc(-c2ccc(F)cc2)cs1 ZINC000284301533 273821478 /nfs/dbraw/zinc/82/14/78/273821478.db2.gz YGZPHETXIMHQKS-SECBINFHSA-N -1 0 330.406 2.726 10 0 EFAERM CCc1ccc(S(=O)(=O)[N-]c2cc(CCOC)ccn2)s1 ZINC000284934784 273910666 /nfs/dbraw/zinc/91/06/66/273910666.db2.gz ACOKENSHLKKLQN-UHFFFAOYSA-N -1 0 326.443 2.695 10 0 EFAERM Cc1c(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)c2ccccc2n1C ZINC000285347500 273983201 /nfs/dbraw/zinc/98/32/01/273983201.db2.gz VRMOJWLLSRJTBS-UHFFFAOYSA-N -1 0 348.428 2.968 10 0 EFAERM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000288596031 274626359 /nfs/dbraw/zinc/62/63/59/274626359.db2.gz STRIPTXGZIQDFX-UHFFFAOYSA-N -1 0 343.836 2.970 10 0 EFAERM CC[C@H](Cc1ccccc1C)C(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000425252070 287921306 /nfs/dbraw/zinc/92/13/06/287921306.db2.gz ICUZIFJPYICLJE-OIISXLGYSA-N -1 0 333.428 2.654 10 0 EFAERM CC[C@H](NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)[C@@H]1CCCO1 ZINC000263307032 288000552 /nfs/dbraw/zinc/00/05/52/288000552.db2.gz XVYLJVUACNINAI-IKGGRYGDSA-N -1 0 348.443 2.719 10 0 EFAERM CC(=O)Nc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000236784336 278193816 /nfs/dbraw/zinc/19/38/16/278193816.db2.gz YGBVTDNZSMNGRF-QGZVFWFLSA-N -1 0 340.379 2.899 10 0 EFAERM CC(=O)Nc1ccc(N2CCOc3ccccc3C2)c(C(=O)[O-])c1 ZINC000035451121 278199033 /nfs/dbraw/zinc/19/90/33/278199033.db2.gz QBJSYBWRHPAFKF-UHFFFAOYSA-N -1 0 326.352 2.742 10 0 EFAERM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCC2(C)C)c1 ZINC000408488335 278251755 /nfs/dbraw/zinc/25/17/55/278251755.db2.gz NKBOEBMFYASTPQ-HNNXBMFYSA-N -1 0 337.441 2.911 10 0 EFAERM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCC2(C)C)c1 ZINC000408488337 278251843 /nfs/dbraw/zinc/25/18/43/278251843.db2.gz NKBOEBMFYASTPQ-OAHLLOKOSA-N -1 0 337.441 2.911 10 0 EFAERM CC(C)(C)OCC[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)[O-] ZINC000262180467 278466581 /nfs/dbraw/zinc/46/65/81/278466581.db2.gz PYTXIORSKICNPJ-CGAUPDFVSA-N -1 0 337.460 2.833 10 0 EFAERM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000364861033 278629463 /nfs/dbraw/zinc/62/94/63/278629463.db2.gz OXDAKNHLXCYNMO-OAHLLOKOSA-N -1 0 332.366 2.792 10 0 EFAERM CC(C)C[C@H](CNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21)C(=O)[O-] ZINC000424443963 279154701 /nfs/dbraw/zinc/15/47/01/279154701.db2.gz CBHBOVOJRIWTSU-GUTXKFCHSA-N -1 0 334.416 2.597 10 0 EFAERM CC(C)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000408476969 280027578 /nfs/dbraw/zinc/02/75/78/280027578.db2.gz NBZBBNZWDCDDMC-QQFIATSDSA-N -1 0 341.395 2.846 10 0 EFAERM CC[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422642200 288210164 /nfs/dbraw/zinc/21/01/64/288210164.db2.gz DCXGHHVRPOLZER-STQMWFEESA-N -1 0 332.400 2.656 10 0 EFAERM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000366056680 280291072 /nfs/dbraw/zinc/29/10/72/280291072.db2.gz ROXMXPCPNFPMQT-OESUJAFSSA-N -1 0 346.393 2.727 10 0 EFAERM CC(C)[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C(=O)[O-] ZINC000155940575 280317178 /nfs/dbraw/zinc/31/71/78/280317178.db2.gz XDXWOJIKDOVYKK-AVGNSLFASA-N -1 0 340.217 2.778 10 0 EFAERM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000263297665 280619081 /nfs/dbraw/zinc/61/90/81/280619081.db2.gz MTTYIDIDTKURKY-ULQDDVLXSA-N -1 0 331.412 2.616 10 0 EFAERM CC[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000373649701 288272307 /nfs/dbraw/zinc/27/23/07/288272307.db2.gz VZBMPTNRSPPBMC-ZBEGNZNMSA-N -1 0 343.782 2.595 10 0 EFAERM CC1(C)CCC(NC(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC000422588690 280927462 /nfs/dbraw/zinc/92/74/62/280927462.db2.gz LGTBNEGPAHVQDX-UHFFFAOYSA-N -1 0 346.427 2.727 10 0 EFAERM CC1(C)CCC[C@H](C(=O)N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)C1 ZINC000263259089 281038396 /nfs/dbraw/zinc/03/83/96/281038396.db2.gz WDHVQGSSPISRQR-JYJNAYRXSA-N -1 0 337.460 2.931 10 0 EFAERM CC1(C)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC[S@]1=O ZINC000408471567 281085855 /nfs/dbraw/zinc/08/58/55/281085855.db2.gz XMZRFIIWWVYAHL-NRFANRHFSA-N -1 0 333.812 2.558 10 0 EFAERM CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000367470119 288366454 /nfs/dbraw/zinc/36/64/54/288366454.db2.gz QIERTHPXYZJNLN-CABZTGNLSA-N -1 0 349.811 2.661 10 0 EFAERM CC[C@](C)(C(=O)OC)N(Cc1nc(=O)c2sccc2[n-]1)CC1CC1 ZINC000425515366 288388109 /nfs/dbraw/zinc/38/81/09/288388109.db2.gz SKNDOCQQKLJIEE-QGZVFWFLSA-N -1 0 349.456 2.951 10 0 EFAERM CCc1oc(C(=O)N2Cc3ccccc3OC[C@@H]2C)cc1C(=O)[O-] ZINC000263578175 288665587 /nfs/dbraw/zinc/66/55/87/288665587.db2.gz SJUDJNFCROXUEQ-NSHDSACASA-N -1 0 329.352 2.964 10 0 EFAERM Cc1csc([C@@H](C)NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)n1 ZINC000081338253 292814177 /nfs/dbraw/zinc/81/41/77/292814177.db2.gz KIQITTQGDWKLGA-GFCCVEGCSA-N -1 0 342.424 2.730 10 0 EFAERM Cc1cc(S(=O)(=O)N[C@@H](C)CCC[C@@H](C)C(=O)[O-])c(C)s1 ZINC000087673066 292828481 /nfs/dbraw/zinc/82/84/81/292828481.db2.gz SHQQJURCYUVQMJ-ZJUUUORDSA-N -1 0 333.475 2.923 10 0 EFAERM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000088334663 292829073 /nfs/dbraw/zinc/82/90/73/292829073.db2.gz ZWCYFEVQGHZJMG-UHFFFAOYSA-N -1 0 338.392 2.992 10 0 EFAERM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccnc1OCC(F)F ZINC000125782921 293016502 /nfs/dbraw/zinc/01/65/02/293016502.db2.gz OSRLJBHBCVEHCZ-UHFFFAOYSA-N -1 0 346.330 2.974 10 0 EFAERM CCCc1cc([N-]S(=O)(=O)c2ccccc2Br)[nH]n1 ZINC000126411397 293037522 /nfs/dbraw/zinc/03/75/22/293037522.db2.gz UVWJXZCAFGWVCX-UHFFFAOYSA-N -1 0 344.234 2.926 10 0 EFAERM CCCc1cc([N-]S(=O)(=O)c2cccc(Br)c2)n[nH]1 ZINC000126440806 293038979 /nfs/dbraw/zinc/03/89/79/293038979.db2.gz LOQMGGKZQCOCHB-UHFFFAOYSA-N -1 0 344.234 2.926 10 0 EFAERM CCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)n[nH]1 ZINC000126553087 293043144 /nfs/dbraw/zinc/04/31/44/293043144.db2.gz CPCRLSJKMCDSMU-UHFFFAOYSA-N -1 0 329.809 2.825 10 0 EFAERM O=C(N[C@H]1CCCC[C@H]1O)c1cc(Br)cc(Cl)c1[O-] ZINC000128171982 293093331 /nfs/dbraw/zinc/09/33/31/293093331.db2.gz NQFPOOYABZMBRN-WDEREUQCSA-N -1 0 348.624 2.841 10 0 EFAERM O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)cc(Cl)c1[O-] ZINC000128269367 293097243 /nfs/dbraw/zinc/09/72/43/293097243.db2.gz FJVBYOFGWLQDSR-QMMMGPOBSA-N -1 0 340.704 2.551 10 0 EFAERM C[C@@H](c1nc(C(C)(C)C)no1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131704830 293205627 /nfs/dbraw/zinc/20/56/27/293205627.db2.gz GBRYVIPBNRGKBI-VIFPVBQESA-N -1 0 347.444 2.858 10 0 EFAERM Cc1cnn(-c2ccc(C(=O)NCc3ccc(O)c(F)c3)cc2)c1 ZINC000132828680 293238763 /nfs/dbraw/zinc/23/87/63/293238763.db2.gz DKPIBZOXHDFBEL-UHFFFAOYSA-N -1 0 325.343 2.955 10 0 EFAERM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC)s2)cn1 ZINC000133363249 293254841 /nfs/dbraw/zinc/25/48/41/293254841.db2.gz NYSOIWVSHLLWCU-UHFFFAOYSA-N -1 0 340.426 2.683 10 0 EFAERM O=C(Nc1cnn(-c2ncccn2)c1)c1cc2ccccc2cc1O ZINC000151874209 293306509 /nfs/dbraw/zinc/30/65/09/293306509.db2.gz ZDXMPIHPPZGLFJ-UHFFFAOYSA-N -1 0 331.335 2.773 10 0 EFAERM CO[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl ZINC000104236740 293375093 /nfs/dbraw/zinc/37/50/93/293375093.db2.gz RZRRDPGMUKNLKK-INIZCTEOSA-N -1 0 344.798 2.585 10 0 EFAERM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000408134196 293595129 /nfs/dbraw/zinc/59/51/29/293595129.db2.gz SNTWGAGTRQDPLB-WCQYABFASA-N -1 0 345.848 2.659 10 0 EFAERM Cc1nc([C@H](C)NC(=O)CO[C@H]2CCC[C@@H](C)C2)sc1C(=O)[O-] ZINC000237359580 293607154 /nfs/dbraw/zinc/60/71/54/293607154.db2.gz AESVZIRBSPXVJH-USWWRNFRSA-N -1 0 340.445 2.922 10 0 EFAERM CO[C@@H]1CCC[C@@H]1CNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447547957 293667166 /nfs/dbraw/zinc/66/71/66/293667166.db2.gz FHSWOJLWKIFADA-IAQYHMDHSA-N -1 0 349.818 2.776 10 0 EFAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC000263092524 293871441 /nfs/dbraw/zinc/87/14/41/293871441.db2.gz QOLJXSWIJCITHG-KWCYVHTRSA-N -1 0 339.819 2.609 10 0 EFAERM CO[C@@H]1C[C@@H](NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)C1(C)C ZINC000263317098 293898672 /nfs/dbraw/zinc/89/86/72/293898672.db2.gz ZVCNBTBCDJGSQL-BZUAXINKSA-N -1 0 348.443 2.575 10 0 EFAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC000262960363 293932092 /nfs/dbraw/zinc/93/20/92/293932092.db2.gz HYRMNVQUPBUMQH-KBUPBQIOSA-N -1 0 337.803 2.534 10 0 EFAERM C[C@H]1CCN(C(=O)c2ccsc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290403465 294077549 /nfs/dbraw/zinc/07/75/49/294077549.db2.gz 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Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[C@@H](C(=O)[O-])C[C@@H]32)c(C)s1 ZINC000290686418 294157356 /nfs/dbraw/zinc/15/73/56/294157356.db2.gz QPEJCMIDWSJUTK-XQQFMLRXSA-N -1 0 343.470 2.629 10 0 EFAERM COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H](C)C1CCCC1 ZINC000290865695 294206954 /nfs/dbraw/zinc/20/69/54/294206954.db2.gz XSHZKKDUBBNCPH-VIFPVBQESA-N -1 0 329.418 2.540 10 0 EFAERM COC(=O)c1cnccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000291022237 294250169 /nfs/dbraw/zinc/25/01/69/294250169.db2.gz XTPHHOGUPZZAHI-UHFFFAOYSA-N -1 0 334.397 2.594 10 0 EFAERM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)c1 ZINC000291123928 294283192 /nfs/dbraw/zinc/28/31/92/294283192.db2.gz NQFHOFWXASWMMD-UHFFFAOYSA-N -1 0 341.820 2.760 10 0 EFAERM COc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)c(C)c1F ZINC000291186180 294303329 /nfs/dbraw/zinc/30/33/29/294303329.db2.gz SXKOIKVUNJWLOV-UHFFFAOYSA-N -1 0 339.392 2.554 10 0 EFAERM CO[C@H](C)c1nc(=N[C@H]2CCN(C(C)=O)c3ccccc32)s[n-]1 ZINC000367165520 294344811 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EFAERM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(C(=O)[O-])co1 ZINC000248426949 297167121 /nfs/dbraw/zinc/16/71/21/297167121.db2.gz MFOYUIGTOBHZPS-HSMVNMDESA-N -1 0 329.352 2.969 10 0 EFAERM C[C@@H]1CSC[C@H]1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263322298 297191032 /nfs/dbraw/zinc/19/10/32/297191032.db2.gz AQVKZRBQEWVRRT-VHDGCEQUSA-N -1 0 336.457 2.513 10 0 EFAERM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000120689587 304542150 /nfs/dbraw/zinc/54/21/50/304542150.db2.gz GGXWJSVQGMZCGL-YVEFUNNKSA-N -1 0 332.425 2.884 10 0 EFAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000263319656 297739962 /nfs/dbraw/zinc/73/99/62/297739962.db2.gz JHXIEILXECODED-PSASIEDQSA-N -1 0 344.180 2.914 10 0 EFAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1cc(Br)ccc1F ZINC000263109350 297740019 /nfs/dbraw/zinc/74/00/19/297740019.db2.gz BPSGECSVCYGFBH-PSASIEDQSA-N -1 0 344.180 2.914 10 0 EFAERM C[C@H](CN(C)C(=O)N[C@@H](Cc1ccccn1)c1ccccc1)C(=O)[O-] ZINC000263338768 298486239 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ZINC000630277896 480648055 /nfs/dbraw/zinc/64/80/55/480648055.db2.gz GSDYRUHYTWEEET-NUTKFTJISA-N -1 0 326.396 2.894 10 0 EFAERM CCc1ccccc1OCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000630278412 480648528 /nfs/dbraw/zinc/64/85/28/480648528.db2.gz GMRGKBJDLQSNQS-PMPSAXMXSA-N -1 0 331.412 2.730 10 0 EFAERM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cnn1C(C)(C)C ZINC000630280794 480649841 /nfs/dbraw/zinc/64/98/41/480649841.db2.gz AKVYSXDLFNSXRH-KCQAQPDRSA-N -1 0 333.432 2.662 10 0 EFAERM CO[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000630281053 480649867 /nfs/dbraw/zinc/64/98/67/480649867.db2.gz DHDWTSOBHJVRQQ-VGWMRTNUSA-N -1 0 335.375 2.615 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2OCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000630281117 480649922 /nfs/dbraw/zinc/64/99/22/480649922.db2.gz FANVCJLGKAGJAN-YVSFHVDLSA-N -1 0 329.396 2.750 10 0 EFAERM COc1cc(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)ccc1C ZINC000630282935 480650280 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O=C(NC1(c2nn[n-]n2)CC1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000430314466 1443880325 /nfs/dbraw/zinc/88/03/25/1443880325.db2.gz KCHGISOFGRHKNR-UHFFFAOYSA-N -1 0 345.834 2.762 10 0 EFAERM O=C(CCc1nn[n-]n1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000865147500 1443891792 /nfs/dbraw/zinc/89/17/92/1443891792.db2.gz DYXVXQKZBMRJTB-GFCCVEGCSA-N -1 0 339.321 2.515 10 0 EFAERM COc1cccc2c1[C@@H](C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000339689986 1443926165 /nfs/dbraw/zinc/92/61/65/1443926165.db2.gz DXVYQQQFKUUURI-AWEZNQCLSA-N -1 0 335.367 2.544 10 0 EFAERM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000358414723 1443933664 /nfs/dbraw/zinc/93/36/64/1443933664.db2.gz QBAJOXGTKHYDBZ-DZGCQCFKSA-N -1 0 345.447 2.743 10 0 EFAERM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)NC2(c3nn[n-]n3)CC2)CC1 ZINC000671810094 1446184939 /nfs/dbraw/zinc/18/49/39/1446184939.db2.gz SRLPQNLLCFTTSN-UIORMTCPSA-N -1 0 331.464 2.938 10 0 EFAERM O=C(CCCOc1ccc(Cl)cc1)NC1(c2nn[n-]n2)CCCC1 ZINC000345484613 1446218731 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723816437 /nfs/dbraw/zinc/81/64/37/723816437.db2.gz XRYBQUFCBACRKV-VXGBXAGGSA-N -1 0 345.292 2.579 10 0 EFAERM Cc1cc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])sc1C ZINC000262394996 723819254 /nfs/dbraw/zinc/81/92/54/723819254.db2.gz JDOGQFBKJJUAAR-UPJWGTAASA-N -1 0 343.470 2.771 10 0 EFAERM Cc1cn2ccc(C(=O)N[C@H](C)c3nc(C)c(C(=O)[O-])s3)cc2n1 ZINC000909502088 723827991 /nfs/dbraw/zinc/82/79/91/723827991.db2.gz BTNWXVWMFWRGIF-SNVBAGLBSA-N -1 0 344.396 2.597 10 0 EFAERM Cc1nc([C@H](C)NC(=O)CCCc2nccs2)sc1C(=O)[O-] ZINC000909502097 723828227 /nfs/dbraw/zinc/82/82/27/723828227.db2.gz BXTRPTISCIXCDO-VIFPVBQESA-N -1 0 339.442 2.806 10 0 EFAERM Cc1nc([C@@H](C)NC(=O)c2ccc3c(c2)CCN3C)sc1C(=O)[O-] ZINC000909502912 723835604 /nfs/dbraw/zinc/83/56/04/723835604.db2.gz HGRGEQQOMKQVQK-SNVBAGLBSA-N -1 0 345.424 2.633 10 0 EFAERM Cc1nc([C@@H](C)NC(=O)[C@@H]2CCOC3(CCC3)C2)sc1C(=O)[O-] ZINC000909502950 723835814 /nfs/dbraw/zinc/83/58/14/723835814.db2.gz HOSQPKHBNTUDEO-GHMZBOCLSA-N -1 0 338.429 2.676 10 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CC(C)c1nc([C@H]2CCCN2CC(=O)[N-]OCc2ccccc2)no1 ZINC000119373571 221305454 /nfs/dbraw/zinc/30/54/54/221305454.db2.gz OXYVOQIPXFCWBO-OAHLLOKOSA-N -1 0 344.415 2.578 10 0 EFAERM CC/C=C\C/C=C\C[C@H](O)[C@@H](O)C[C@H](O)CCCCCC(=O)[O-] ZINC000514287912 257847345 /nfs/dbraw/zinc/84/73/45/257847345.db2.gz IBLXFNHKLIKPIE-PZNFUKLWSA-N -1 0 328.449 2.797 10 0 biogenic EFAERM CCc1nc(=N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)s[n-]1 ZINC000328610901 258038802 /nfs/dbraw/zinc/03/88/02/258038802.db2.gz JOURDMVQXRMULS-GFCCVEGCSA-N -1 0 337.449 2.609 10 0 EFAERM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3ncccn3)c12 ZINC000032879190 258058962 /nfs/dbraw/zinc/05/89/62/258058962.db2.gz SNBZHFZBQJVBCP-UHFFFAOYSA-N -1 0 333.394 2.679 10 0 EFAERM COc1ccc2c(c1)C[C@H](C(=O)[N-]OCc1ccc(F)cc1)CO2 ZINC000184189321 533271194 /nfs/dbraw/zinc/27/11/94/533271194.db2.gz MNNKFXZGIRFURH-AWEZNQCLSA-N -1 0 331.343 2.633 10 0 EFAERM CCCc1nc(=NC(=O)c2c[nH]nc2-c2ccc(F)cc2)s[n-]1 ZINC000439562724 535476365 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O=C([O-])[C@@H](CNC(=O)COc1ccccc1Cl)Cc1ccccc1 ZINC000238166955 141382311 /nfs/dbraw/zinc/38/23/11/141382311.db2.gz RBSPOXCJJKOLBZ-CQSZACIVSA-N -1 0 347.798 2.779 10 0 EFAERM C/C=C/c1ccc(OCC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c(OC)c1 ZINC000263360090 141386175 /nfs/dbraw/zinc/38/61/75/141386175.db2.gz RTHOMBIZWKDYTI-GMOCUTOCSA-N -1 0 347.411 2.676 10 0 EFAERM Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)[nH]n2)c(C)c1 ZINC000263358761 141386301 /nfs/dbraw/zinc/38/63/01/141386301.db2.gz RMEWINAYPHDRPZ-JSGCOSHPSA-N -1 0 341.411 2.876 10 0 EFAERM Cc1noc([C@@H]2CCCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC000263360897 141386705 /nfs/dbraw/zinc/38/67/05/141386705.db2.gz KIUCKZQSHCOSTF-AWEZNQCLSA-N -1 0 344.371 2.513 10 0 EFAERM Cc1cc(C)n(-c2ccccc2CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000263364601 141387308 /nfs/dbraw/zinc/38/73/08/141387308.db2.gz ZJYXULRPNKWGPI-CABCVRRESA-N -1 0 341.411 2.606 10 0 EFAERM CCc1ccc(C(=O)CCC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000263375229 141388371 /nfs/dbraw/zinc/38/83/71/141388371.db2.gz WLZPFVABWWGGDF-CZUORRHYSA-N -1 0 331.412 2.781 10 0 EFAERM Cn1nccc1CCC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000263413748 141391992 /nfs/dbraw/zinc/39/19/92/141391992.db2.gz NFOAJRHGPWIAKA-OAHLLOKOSA-N -1 0 335.448 2.673 10 0 EFAERM Cc1ccc2[nH]c([C@H]3CCCN(c4cnc(C(=O)[O-])cn4)C3)nc2c1 ZINC000263422454 141392643 /nfs/dbraw/zinc/39/26/43/141392643.db2.gz PWAHYESBLVQYES-LBPRGKRZSA-N -1 0 337.383 2.744 10 0 EFAERM O=C([O-])c1ccnc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000263420404 141392740 /nfs/dbraw/zinc/39/27/40/141392740.db2.gz PGXXYXNOHNGPMD-HOTGVXAUSA-N -1 0 344.342 2.569 10 0 EFAERM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000263429529 141393135 /nfs/dbraw/zinc/39/31/35/141393135.db2.gz KJNAEUZLCJHZMN-MNOVXSKESA-N -1 0 333.413 2.902 10 0 EFAERM CN(C[C@@H]1CCCCO1)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263452643 141395346 /nfs/dbraw/zinc/39/53/46/141395346.db2.gz GPUZIKGWZASUOJ-SJORKVTESA-N -1 0 348.443 2.673 10 0 EFAERM Cc1cc(O[C@@H](C)C(=O)N2CCC[C@@]2(C)C(=O)[O-])ccc1Cl ZINC000263447541 141395525 /nfs/dbraw/zinc/39/55/25/141395525.db2.gz NOFGKAZPDHWPEJ-ZBEGNZNMSA-N -1 0 325.792 2.881 10 0 EFAERM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263471120 141397030 /nfs/dbraw/zinc/39/70/30/141397030.db2.gz RWICMYJKYUEYBO-HCKVZZMMSA-N -1 0 341.354 2.882 10 0 EFAERM C=Cc1ccc(S(=O)(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000263484913 141397895 /nfs/dbraw/zinc/39/78/95/141397895.db2.gz MHDQMOQKICOALV-IMJJTQAJSA-N -1 0 335.425 2.736 10 0 EFAERM C[C@@H](NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)C(C)(F)F ZINC000263497261 141399282 /nfs/dbraw/zinc/39/92/82/141399282.db2.gz UCKDUGICJPKWDI-YPMHNXCESA-N -1 0 328.359 2.805 10 0 EFAERM CN(C[C@H]1CCCOC1)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263496401 141399378 /nfs/dbraw/zinc/39/93/78/141399378.db2.gz TUILBDUGMAZHDY-SJORKVTESA-N -1 0 348.443 2.531 10 0 EFAERM O=C([O-])c1ccc(CNC(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000263498985 141399845 /nfs/dbraw/zinc/39/98/45/141399845.db2.gz UUOFHYZUKPKMGD-QGZVFWFLSA-N -1 0 346.427 2.876 10 0 EFAERM C[C@@H](NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)c1ccc(NC(=O)C2CC2)cc1 ZINC000263552948 141404304 /nfs/dbraw/zinc/40/43/04/141404304.db2.gz MFWOQISZOIVOJM-WKPIXPDZSA-N -1 0 344.411 2.569 10 0 EFAERM Cc1nc([C@H](C)NC(=O)CCCC2CCOCC2)sc1C(=O)[O-] ZINC000263548983 141404578 /nfs/dbraw/zinc/40/45/78/141404578.db2.gz VNNIQPMCLNLREP-NSHDSACASA-N -1 0 340.445 2.924 10 0 EFAERM C[C@H](C(=O)[O-])N(C)C(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000263569077 141406641 /nfs/dbraw/zinc/40/66/41/141406641.db2.gz HGPRXCUVEIDCAR-SECBINFHSA-N -1 0 333.306 2.794 10 0 EFAERM Cc1ccc(OCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1C ZINC000324112298 141497771 /nfs/dbraw/zinc/49/77/71/141497771.db2.gz NYTCVONAXCIKTL-UAGQMJEPSA-N -1 0 331.412 2.927 10 0 EFAERM CCCc1nc(=NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)s[n-]1 ZINC000338642762 141655567 /nfs/dbraw/zinc/65/55/67/141655567.db2.gz RPTSHYDUBFESNU-AWEZNQCLSA-N -1 0 347.440 2.723 10 0 EFAERM CCCc1nc(=NC(=O)c2ccccc2Br)s[n-]1 ZINC000338644748 141655588 /nfs/dbraw/zinc/65/55/88/141655588.db2.gz WMFOWKFLPXVJPF-UHFFFAOYSA-N -1 0 326.219 2.927 10 0 EFAERM CCc1ncnc(CC)c1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000340121201 141745505 /nfs/dbraw/zinc/74/55/05/141745505.db2.gz RDIAIZSZTVMKFG-UHFFFAOYSA-N -1 0 345.453 2.856 10 0 EFAERM O=C([O-])CCCc1ccc(NS(=O)(=O)N2CCCCCC2)cc1 ZINC000340178084 141755653 /nfs/dbraw/zinc/75/56/53/141755653.db2.gz IZGAQQFYMCVHJK-UHFFFAOYSA-N -1 0 340.445 2.627 10 0 EFAERM CCCc1nc(=NC(=O)N(C)Cc2ncc(C)c(OC)c2C)s[n-]1 ZINC000340248650 141768182 /nfs/dbraw/zinc/76/81/82/141768182.db2.gz VZOCEJMZXPZVJC-UHFFFAOYSA-N -1 0 349.460 2.597 10 0 EFAERM COCCCOc1ccc(CN=c2nc([C@@H](C)OC)[n-]s2)cc1 ZINC000343238447 141958704 /nfs/dbraw/zinc/95/87/04/141958704.db2.gz ZWROQSVRWAJFIH-GFCCVEGCSA-N -1 0 337.445 2.695 10 0 EFAERM O=C([O-])[C@]1(NC(=O)Cc2cc(Cl)ccc2Cl)CCSC1 ZINC000345989152 142129037 /nfs/dbraw/zinc/12/90/37/142129037.db2.gz XGCWIFRQUMGJQP-ZDUSSCGKSA-N -1 0 334.224 2.612 10 0 EFAERM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1oc(CC)cc1C ZINC000346004332 142131823 /nfs/dbraw/zinc/13/18/23/142131823.db2.gz CPVGHVLJLJZFMS-CYBMUJFWSA-N -1 0 325.405 2.740 10 0 EFAERM Cc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)c(OCCC(C)C)c1 ZINC000346080673 142144076 /nfs/dbraw/zinc/14/40/76/142144076.db2.gz DNDNSNTUXWOSGM-HZPDHXFCSA-N -1 0 349.427 2.668 10 0 EFAERM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000347682948 142256422 /nfs/dbraw/zinc/25/64/22/142256422.db2.gz PGNBOKXCBXMWGK-UHFFFAOYSA-N -1 0 327.381 2.632 10 0 EFAERM CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(F)(F)F ZINC000348055149 142314298 /nfs/dbraw/zinc/31/42/98/142314298.db2.gz NBVGDKSIHZSZNB-ZDUSSCGKSA-N -1 0 327.306 2.895 10 0 EFAERM CCn1c(NC(=O)c2cc(=O)c3ccccc3[n-]2)nc2cccnc21 ZINC000349991396 142387403 /nfs/dbraw/zinc/38/74/03/142387403.db2.gz HQVIJYRAUDQCPC-UHFFFAOYSA-N -1 0 333.351 2.545 10 0 EFAERM CO[C@@H](C)c1nc(=NC(=O)NC[C@H](C)c2ccc(C)cc2)s[n-]1 ZINC000350650925 142440254 /nfs/dbraw/zinc/44/02/54/142440254.db2.gz ATJGSPUKPHCLHP-RYUDHWBXSA-N -1 0 334.445 2.901 10 0 EFAERM CO[C@H](C)c1nc(=NC(=O)N(C)Cc2cc(C)cc(C)c2)s[n-]1 ZINC000350651935 142440356 /nfs/dbraw/zinc/44/03/56/142440356.db2.gz GDGFCRBBLVGHPN-GFCCVEGCSA-N -1 0 334.445 2.948 10 0 EFAERM CC[C@](NC(=O)[C@@H]1CC[C@@H](C)O1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262144809 288419015 /nfs/dbraw/zinc/41/90/15/288419015.db2.gz OWUDGUVBOYZLOW-AKWBHNSASA-N -1 0 325.792 2.714 10 0 EFAERM C[C@@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000263308974 296543789 /nfs/dbraw/zinc/54/37/89/296543789.db2.gz WPXNXEBSDGKCRC-MEBBXXQBSA-N -1 0 329.331 2.537 10 0 EFAERM COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000337774625 143805893 /nfs/dbraw/zinc/80/58/93/143805893.db2.gz PMYZVSWFNJVMFA-UHFFFAOYSA-N -1 0 336.413 2.825 10 0 EFAERM CO[C@@H](C)c1nc(=N[C@@H](c2nccn2C)c2ccccc2F)s[n-]1 ZINC000337913536 143837940 /nfs/dbraw/zinc/83/79/40/143837940.db2.gz LOTNRMBEBRJUBH-GXFFZTMASA-N -1 0 347.419 2.742 10 0 EFAERM 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/nfs/dbraw/zinc/22/96/35/1397229635.db2.gz OJCNKHIAYNHZPU-UHFFFAOYSA-N -1 0 343.261 2.626 10 0 EFAERM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC001471978273 1397229856 /nfs/dbraw/zinc/22/98/56/1397229856.db2.gz PRHINTNKYHLDKK-GFCCVEGCSA-N -1 0 342.326 2.798 10 0 EFAERM CC(C)(C)[S@@](C)(=O)=NC(=O)c1ncc(Br)cc1[O-] ZINC001471989723 1397232093 /nfs/dbraw/zinc/23/20/93/1397232093.db2.gz TWAPDHVXUSTVRK-GOSISDBHSA-N -1 0 335.223 2.586 10 0 EFAERM O=C(N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(Cl)c([O-])c1 ZINC001472014340 1397234645 /nfs/dbraw/zinc/23/46/45/1397234645.db2.gz TUVYESMUWREIGE-UJKQEGAGSA-N -1 0 331.799 2.868 10 0 EFAERM CC1(C)C[C@@H](NC(=O)c2cc(Br)cc(F)c2[O-])CO1 ZINC001472256434 1397254297 /nfs/dbraw/zinc/25/42/97/1397254297.db2.gz VQTHXNDXIPHIIY-MRVPVSSYSA-N -1 0 332.169 2.591 10 0 EFAERM Cc1cc(F)ccc1[C@H](C)NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC001473780535 1397330421 /nfs/dbraw/zinc/33/04/21/1397330421.db2.gz FRNMAXSDWWCLPS-LBPRGKRZSA-N -1 0 347.415 2.807 10 0 EFAERM CCO[N-]C(=O)CNC(=O)N[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001478919707 1397594515 /nfs/dbraw/zinc/59/45/15/1397594515.db2.gz RAUIMFYZYXSFKK-HOTGVXAUSA-N -1 0 347.459 2.716 10 0 EFAERM COC(=O)CCc1ccccc1C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC001546315315 1408016091 /nfs/dbraw/zinc/01/60/91/1408016091.db2.gz PZGZXCRSHDZDGU-UHFFFAOYSA-N -1 0 341.363 2.953 10 0 EFAERM CC/C=C(\C)C(=O)N1CC2(C1)CCCN(C(=O)c1ccccc1O)C2 ZINC001509775648 1408116121 /nfs/dbraw/zinc/11/61/21/1408116121.db2.gz AJCYGAULUVDKKH-VIZOYTHASA-N -1 0 342.439 2.813 10 0 EFAERM O=C(NC1(c2nn[n-]n2)CCCC1)c1cccc(C(F)(F)F)c1F ZINC000674321337 1428734041 /nfs/dbraw/zinc/73/40/41/1428734041.db2.gz QTUQPRIYEDYVBF-UHFFFAOYSA-N -1 0 343.284 2.557 10 0 EFAERM CC(C)(C)C1=CCN(C(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001556090475 1415052711 /nfs/dbraw/zinc/05/27/11/1415052711.db2.gz XDAZSSHRIRRUER-UHFFFAOYSA-N -1 0 340.221 2.763 10 0 EFAERM Cc1cc(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)ccc1C1CC1 ZINC001556267043 1415060474 /nfs/dbraw/zinc/06/04/74/1415060474.db2.gz GJCASPMGNZTKSD-UHFFFAOYSA-N -1 0 334.383 2.513 10 0 EFAERM O=C(Oc1ccc2c(c1)CC(=O)N2)c1ccc2oc(=S)[n-]c2c1 ZINC001556432673 1415069363 /nfs/dbraw/zinc/06/93/63/1415069363.db2.gz DVBZPLZEZDQKNH-UHFFFAOYSA-N -1 0 326.333 2.830 10 0 EFAERM CCC(CC)(NC(=O)C=Cc1ccnc2ccccc12)c1nnn[n-]1 ZINC001556494696 1415072352 /nfs/dbraw/zinc/07/23/52/1415072352.db2.gz AIJCJSLEODNLFQ-MDZDMXLPSA-N -1 0 336.399 2.593 10 0 EFAERM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(Cn2ccnn2)o1 ZINC001556530366 1415074651 /nfs/dbraw/zinc/07/46/51/1415074651.db2.gz IJDUFBVAEFDVSB-UHFFFAOYSA-N -1 0 336.710 2.670 10 0 EFAERM Cn1nnc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1C(F)(F)F ZINC001556530023 1415074879 /nfs/dbraw/zinc/07/48/79/1415074879.db2.gz YPWLQTBXAGIBRN-UHFFFAOYSA-N -1 0 338.648 2.584 10 0 EFAERM Cc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc(C(N)=O)c1 ZINC001556690695 1415081889 /nfs/dbraw/zinc/08/18/89/1415081889.db2.gz NEJHIKDOACJUEH-UHFFFAOYSA-N -1 0 327.365 2.776 10 0 EFAERM CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)[N-]OCCC1CC1 ZINC001556764260 1415086935 /nfs/dbraw/zinc/08/69/35/1415086935.db2.gz FFIFCXVIQDGMCB-INIZCTEOSA-N -1 0 346.427 2.882 10 0 EFAERM O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1c[n-]ncc1=O ZINC001556776379 1415088352 /nfs/dbraw/zinc/08/83/52/1415088352.db2.gz CLECOBKOOISFRF-UHFFFAOYSA-N -1 0 349.272 2.639 10 0 EFAERM O=C(NCCCc1cc(=O)[nH][nH]1)c1cc(Cl)c2ccccc2c1[O-] ZINC001556867926 1415092870 /nfs/dbraw/zinc/09/28/70/1415092870.db2.gz DUSFHYNZZCHQLY-UHFFFAOYSA-N -1 0 345.786 2.585 10 0 EFAERM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001557188880 1415111459 /nfs/dbraw/zinc/11/14/59/1415111459.db2.gz CTPGIUQNWPAFLG-HZPDHXFCSA-N -1 0 335.363 2.563 10 0 EFAERM C[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1cnccn1 ZINC001557228876 1415113611 /nfs/dbraw/zinc/11/36/11/1415113611.db2.gz FIMZAHIFKMVETD-JTQLQIEISA-N -1 0 343.774 2.512 10 0 EFAERM CCO[N-]C(=O)CNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC001557352485 1415122728 /nfs/dbraw/zinc/12/27/28/1415122728.db2.gz QPXQZXBWHNTCEU-UHFFFAOYSA-N -1 0 349.390 2.699 10 0 EFAERM COc1ccc(C(=O)N(Cc2nnn[n-]2)CC(C)C)c2ccccc12 ZINC001558162639 1415163181 /nfs/dbraw/zinc/16/31/81/1415163181.db2.gz NIRGGTQTYBHESV-UHFFFAOYSA-N -1 0 339.399 2.660 10 0 EFAERM Cc1ccc2cc(Cl)cc(C(=O)NC3(c4nnn[n-]4)CCC3)c2n1 ZINC001558173914 1415163989 /nfs/dbraw/zinc/16/39/89/1415163989.db2.gz ZIVDETUXMMHLJA-UHFFFAOYSA-N -1 0 342.790 2.519 10 0 EFAERM Cc1c2occ(CC(=O)NC3(c4nnn[n-]4)CCC3)c2ccc1Cl ZINC001558173649 1415164194 /nfs/dbraw/zinc/16/41/94/1415164194.db2.gz RXYRSERUTKQTEY-UHFFFAOYSA-N -1 0 345.790 2.646 10 0 EFAERM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@H](O)CCc2ccccc2)c1 ZINC001558460599 1415181056 /nfs/dbraw/zinc/18/10/56/1415181056.db2.gz KYMASTNAWRRMKQ-INIZCTEOSA-N -1 0 331.343 2.666 10 0 EFAERM COC(=O)c1cccc(C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])c1 ZINC001558461190 1415181172 /nfs/dbraw/zinc/18/11/72/1415181172.db2.gz VGSCHEBVYAHCJB-UHFFFAOYSA-N -1 0 331.299 2.773 10 0 EFAERM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cnc3ccccc3n2)c1 ZINC001558461169 1415181229 /nfs/dbraw/zinc/18/12/29/1415181229.db2.gz UKKCFDMTUNVMBB-UHFFFAOYSA-N -1 0 325.299 2.929 10 0 EFAERM C[C@H](NC(=O)c1nc(-c2ccccc2)cs1)c1nn(C)cc1[O-] ZINC001558683795 1415195372 /nfs/dbraw/zinc/19/53/72/1415195372.db2.gz NEEQSUKEKZJSMP-JTQLQIEISA-N -1 0 328.397 2.740 10 0 EFAERM COc1ccc2onc(CC(=O)[N-]OCCOc3ccccc3)c2c1 ZINC001558778121 1415200884 /nfs/dbraw/zinc/20/08/84/1415200884.db2.gz QAMDURSKUQUQLJ-UHFFFAOYSA-N -1 0 342.351 2.506 10 0 EFAERM O=Cc1ccc(-c2ccc([O-])c(C(=O)Nc3cnc4ccnn4c3)c2)o1 ZINC001558775499 1415201199 /nfs/dbraw/zinc/20/11/99/1415201199.db2.gz SJTOIJFHEFZGDM-UHFFFAOYSA-N -1 0 348.318 2.760 10 0 EFAERM C[C@H](OCc1ccc(F)cc1)C(=O)[N-]OCCOc1ccccc1 ZINC001558777361 1415201218 /nfs/dbraw/zinc/20/12/18/1415201218.db2.gz BENYCZNMBADIRI-AWEZNQCLSA-N -1 0 333.359 2.858 10 0 EFAERM CC(=O)c1ccc(OS(=O)(=O)c2cn[n-]c2Cl)cc1Cl ZINC001561950070 1415330785 /nfs/dbraw/zinc/33/07/85/1415330785.db2.gz DZYKRXGAJSVIMM-UHFFFAOYSA-N -1 0 335.168 2.687 10 0 EFAERM Cc1ccc(-c2csc(NC(=O)Cc3c([O-])nc[nH]c3=O)n2)s1 ZINC001565623276 1415407645 /nfs/dbraw/zinc/40/76/45/1415407645.db2.gz WQHRMFHIILZIIU-UHFFFAOYSA-N -1 0 348.409 2.562 10 0 EFAERM O=C(C=CC=C(Cl)Cl)Nc1ccc(OCc2nnn[n-]2)cc1 ZINC001565779476 1415415560 /nfs/dbraw/zinc/41/55/60/1415415560.db2.gz BXUODZFHKVPYTI-IWQZZHSRSA-N -1 0 340.170 2.592 10 0 EFAERM COC[C@@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(C)C ZINC001565797518 1415416716 /nfs/dbraw/zinc/41/67/16/1415416716.db2.gz DDAJNSTYMYBLDM-OAHLLOKOSA-N -1 0 331.368 2.866 10 0 EFAERM CCCC[C@@H](NC(N)=O)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001566430568 1415546481 /nfs/dbraw/zinc/54/64/81/1415546481.db2.gz XAVFBXBYBRGKLP-SECBINFHSA-N -1 0 334.203 2.865 10 0 EFAERM CCN1C(=O)C[C@H](C(=O)[N-]OC2CCCC2)[C@H]1c1cccc(C)c1 ZINC001566867188 1415808503 /nfs/dbraw/zinc/80/85/03/1415808503.db2.gz IVHZGYJRRWFPQX-FUHWJXTLSA-N -1 0 330.428 2.895 10 0 EFAERM C[C@@]1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CCc2ccccc2C1 ZINC000676190556 1429013794 /nfs/dbraw/zinc/01/37/94/1429013794.db2.gz QKOYXPBWMAZZRF-HXUWFJFHSA-N -1 0 347.422 2.924 10 0 EFAERM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)c1 ZINC001567048993 1415914766 /nfs/dbraw/zinc/91/47/66/1415914766.db2.gz BRHSTXBKOOIAHC-AWEZNQCLSA-N -1 0 338.363 2.684 10 0 EFAERM O=C(Nc1cccc(Cl)c1[O-])c1cccc(Cn2ccnn2)c1 ZINC001567072870 1415924313 /nfs/dbraw/zinc/92/43/13/1415924313.db2.gz LBXFVYOVTPFHMJ-UHFFFAOYSA-N -1 0 328.759 2.938 10 0 EFAERM O=C(CN1Cc2ccccc2OC1=O)Nc1cccc(Cl)c1[O-] ZINC001567072871 1415924346 /nfs/dbraw/zinc/92/43/46/1415924346.db2.gz LDMSBXYJKCUEOJ-UHFFFAOYSA-N -1 0 332.743 2.999 10 0 EFAERM O=C(Nc1cc(F)ccc1O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001567235362 1416005821 /nfs/dbraw/zinc/00/58/21/1416005821.db2.gz YECZXVKYMVGZSK-UHFFFAOYSA-N -1 0 349.268 2.953 10 0 EFAERM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccnc(Cl)c1F ZINC001567975280 1416348245 /nfs/dbraw/zinc/34/82/45/1416348245.db2.gz JQBPZEIMGSDVOB-UHFFFAOYSA-N -1 0 347.737 2.926 10 0 EFAERM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccccc1 ZINC001645776228 1416556258 /nfs/dbraw/zinc/55/62/58/1416556258.db2.gz UIHDAKPDJDJLCE-HNNXBMFYSA-N -1 0 346.452 2.753 10 0 EFAERM CC(C)C[C@H](CNC(=O)N[C@@H](C)COc1ccccc1F)C(=O)[O-] ZINC001645853133 1416574481 /nfs/dbraw/zinc/57/44/81/1416574481.db2.gz HCWLKAMEXDHBFF-QWHCGFSZSA-N -1 0 340.395 2.639 10 0 EFAERM O=C([N-]S(=O)(=O)c1cccc2cnccc21)[C@@H]1CCC[C@@H](F)C1 ZINC001645858949 1416575259 /nfs/dbraw/zinc/57/52/59/1416575259.db2.gz CSWZPGUEIMIPTA-DGCLKSJQSA-N -1 0 336.388 2.568 10 0 EFAERM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](F)C2)cc1 ZINC001645859181 1416575354 /nfs/dbraw/zinc/57/53/54/1416575354.db2.gz IQYHIZLGEQTIED-CHWSQXEVSA-N -1 0 343.420 2.807 10 0 EFAERM C[C@@H](CC(=O)Nc1cccc(-n2ccc(C(=O)[O-])n2)c1)[C@@H]1CCCO1 ZINC001645943261 1416588758 /nfs/dbraw/zinc/58/87/58/1416588758.db2.gz TYLRADWUSNOJNO-LRDDRELGSA-N -1 0 343.383 2.714 10 0 EFAERM O=C([N-]S(=O)(=O)CCc1ccccc1Cl)[C@H]1CCC[C@H](F)C1 ZINC001645943216 1416589012 /nfs/dbraw/zinc/58/90/12/1416589012.db2.gz SJOJLPUCQVGIIL-STQMWFEESA-N -1 0 347.839 2.857 10 0 EFAERM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1 ZINC001646055724 1416606539 /nfs/dbraw/zinc/60/65/39/1416606539.db2.gz CQEWYYXESIFLGF-DYZYQPBXSA-N -1 0 345.326 2.901 10 0 EFAERM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c1 ZINC001646055722 1416606549 /nfs/dbraw/zinc/60/65/49/1416606549.db2.gz CQEWYYXESIFLGF-BMLIUANNSA-N -1 0 345.326 2.901 10 0 EFAERM CC(=O)c1cc(F)c([O-])c(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)c1 ZINC001646056628 1416606630 /nfs/dbraw/zinc/60/66/30/1416606630.db2.gz ZRUDHLSCXNQHII-LBPRGKRZSA-N -1 0 342.326 2.798 10 0 EFAERM Cc1c(Br)csc1C(=O)[N-]S(=O)(=O)C(C)(C)C ZINC001646074619 1416609182 /nfs/dbraw/zinc/60/91/82/1416609182.db2.gz LWCRTUIBXWLPNC-UHFFFAOYSA-N -1 0 340.264 2.677 10 0 EFAERM CC(C)(C)S(=O)(=O)[N-]C(=O)[C@H](Cc1cccnc1)C1CCCC1 ZINC001646075528 1416609856 /nfs/dbraw/zinc/60/98/56/1416609856.db2.gz ZRIPCHJBVKOLFM-OAHLLOKOSA-N -1 0 338.473 2.675 10 0 EFAERM Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(C)(F)F)c1 ZINC001646207743 1416632193 /nfs/dbraw/zinc/63/21/93/1416632193.db2.gz LRXSHKMUQIXNOF-GFCCVEGCSA-N -1 0 333.400 2.980 10 0 EFAERM Cc1nc2c(cccc2C(=O)[N-]S(=O)(=O)CCCC(C)(F)F)o1 ZINC001646207969 1416632282 /nfs/dbraw/zinc/63/22/82/1416632282.db2.gz RHABCLJIHFYRIT-UHFFFAOYSA-N -1 0 346.355 2.631 10 0 EFAERM Cc1cc(C)c(CC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)s1 ZINC001646252476 1416638435 /nfs/dbraw/zinc/63/84/35/1416638435.db2.gz IFLSMTOGENXVMO-UHFFFAOYSA-N -1 0 329.421 2.646 10 0 EFAERM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)CC2CC(F)(F)C2)c1 ZINC001646259565 1416639478 /nfs/dbraw/zinc/63/94/78/1416639478.db2.gz KDRLBRXEJLIQKX-AWEZNQCLSA-N -1 0 327.327 2.715 10 0 EFAERM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001646320270 1416648918 /nfs/dbraw/zinc/64/89/18/1416648918.db2.gz WUGOUEYMAGHVCY-NSHDSACASA-N -1 0 339.399 2.624 10 0 EFAERM CCCN(CCNC(=O)c1ncccc1O)C(=O)C1CCC=CCC1 ZINC001688462860 1416969792 /nfs/dbraw/zinc/96/97/92/1416969792.db2.gz KAEUFNZWAFWDAY-UHFFFAOYSA-N -1 0 345.443 2.502 10 0 EFAERM CSCCCCC(=O)[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000125035928 1417122619 /nfs/dbraw/zinc/12/26/19/1417122619.db2.gz FDWGZPVZFQROIV-UHFFFAOYSA-N -1 0 338.454 2.573 10 0 EFAERM O=C([O-])c1ccc(NC(=S)N(CCO)Cc2ccccc2)cc1 ZINC000242578854 1419103313 /nfs/dbraw/zinc/10/33/13/1419103313.db2.gz CGXPNCVVDOOCOS-UHFFFAOYSA-N -1 0 330.409 2.576 10 0 EFAERM COc1ccc(OCCNC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000243475217 1419231881 /nfs/dbraw/zinc/23/18/81/1419231881.db2.gz NLKBSTYGDPLTIE-UHFFFAOYSA-N -1 0 346.408 2.759 10 0 EFAERM CCc1ccc2occ(C(=O)N[C@H](CCSC)c3nn[n-]n3)c2c1 ZINC000408517369 1429345801 /nfs/dbraw/zinc/34/58/01/1429345801.db2.gz DCAVVHBWHISUGT-CYBMUJFWSA-N -1 0 345.428 2.733 10 0 EFAERM CC(C)[C@@H]1CCCN(C(=O)c2cccc(Nc3nnn[n-]3)c2)CC1 ZINC000900721858 1429449180 /nfs/dbraw/zinc/44/91/80/1429449180.db2.gz PBLNEYZZUBBKNM-CYBMUJFWSA-N -1 0 328.420 2.842 10 0 EFAERM O=S(=O)([N-]c1ncc(F)cc1Br)c1cccs1 ZINC000169876087 1422957449 /nfs/dbraw/zinc/95/74/49/1422957449.db2.gz SKNRRGOHXLAYID-UHFFFAOYSA-N -1 0 337.195 2.846 10 0 EFAERM O=C(CCc1cccc(F)c1F)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135551970 1423329677 /nfs/dbraw/zinc/32/96/77/1423329677.db2.gz LIHIGTNPQIOTPH-UHFFFAOYSA-N -1 0 343.337 2.640 10 0 EFAERM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000345557823 1423435402 /nfs/dbraw/zinc/43/54/02/1423435402.db2.gz XJKAKSIFELNFEH-UHFFFAOYSA-N -1 0 341.346 2.798 10 0 EFAERM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CSc2ccccc21 ZINC000120658036 1423439659 /nfs/dbraw/zinc/43/96/59/1423439659.db2.gz ULFHBQOXTVZQSQ-CQSZACIVSA-N -1 0 337.408 2.619 10 0 EFAERM CC(C)Cn1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c2ccccc21 ZINC000124543285 1423478788 /nfs/dbraw/zinc/47/87/88/1423478788.db2.gz JNAMNBLNGDMACK-CYBMUJFWSA-N -1 0 340.431 2.686 10 0 EFAERM Brc1cccc(CNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000161718441 1423481973 /nfs/dbraw/zinc/48/19/73/1423481973.db2.gz VXLIBGMKFBNKEZ-UHFFFAOYSA-N -1 0 331.177 2.636 10 0 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C[C@@H]1C[C@H]1CNC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000567548307 319181109 /nfs/dbraw/zinc/18/11/09/319181109.db2.gz CSZXICOVPMPJBT-QRTLGDNMSA-N -1 0 341.205 2.530 10 0 EFAERM C/C=C/C[C@@H](NC(=O)NCCc1cn(C)c2cc(C)ccc12)C(=O)[O-] ZINC000567564200 319182433 /nfs/dbraw/zinc/18/24/33/319182433.db2.gz XPXPAOYNKZMTKB-DWTRPJMMSA-N -1 0 343.427 2.748 10 0 EFAERM O=C(N=c1nc2n([n-]1)CCCC2)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000567562959 319182609 /nfs/dbraw/zinc/18/26/09/319182609.db2.gz ICDXCONRMSWMKF-CVEARBPZSA-N -1 0 339.443 2.884 10 0 EFAERM Cc1cccc2[nH]cc(CCNC(=O)N3CC[C@@H](C)[C@H](C(=O)[O-])C3)c21 ZINC000567585597 319185473 /nfs/dbraw/zinc/18/54/73/319185473.db2.gz KZGOZSCTJAXGCQ-IUODEOHRSA-N -1 0 343.427 2.771 10 0 EFAERM CCn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)c1 ZINC000567599869 319187288 /nfs/dbraw/zinc/18/72/88/319187288.db2.gz NRYYJHMYDVKDHZ-UHFFFAOYSA-N -1 0 333.413 2.613 10 0 EFAERM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cccc(C4CC4)n3)cn21 ZINC000567713882 319201960 /nfs/dbraw/zinc/20/19/60/319201960.db2.gz QZISRPXADJSPDL-LLVKDONJSA-N -1 0 332.429 2.854 10 0 EFAERM O=C(CCSCc1ccccc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000567766989 319209271 /nfs/dbraw/zinc/20/92/71/319209271.db2.gz LHLRPASHKMYTSR-UHFFFAOYSA-N -1 0 346.456 2.540 10 0 EFAERM CO[C@@H](CS(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F)C1CC1 ZINC000567782991 319211383 /nfs/dbraw/zinc/21/13/83/319211383.db2.gz IJWGKABOMGTMHN-STQMWFEESA-N -1 0 343.411 2.842 10 0 EFAERM Cc1c2ccccc2oc1CNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567807711 319213235 /nfs/dbraw/zinc/21/32/35/319213235.db2.gz VBFUEWGEYCHJGV-SMDDNHRTSA-N -1 0 330.384 2.993 10 0 EFAERM CN(C)c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1F ZINC000567813353 319213708 /nfs/dbraw/zinc/21/37/08/319213708.db2.gz OTNYWXYWSIFGBN-XFJVYGCCSA-N -1 0 334.391 2.750 10 0 EFAERM C[C@H]1CCN(c2cc(N(C)c3ccccc3)ncn2)C[C@H]1C(=O)[O-] ZINC000567865657 319219952 /nfs/dbraw/zinc/21/99/52/319219952.db2.gz BWRRCTNHKPXGMN-DZGCQCFKSA-N -1 0 326.400 2.792 10 0 EFAERM C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2N(C)C)C[C@H]1C(=O)[O-] ZINC000567885155 319221664 /nfs/dbraw/zinc/22/16/64/319221664.db2.gz XKIKYVOJDCPWIY-WDEREUQCSA-N -1 0 339.823 2.981 10 0 EFAERM C[C@@H]1C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C2C3CC4CC(C3)CC2C4)CCO1 ZINC000567970669 319231553 /nfs/dbraw/zinc/23/15/53/319231553.db2.gz SGWLDWRUCQEURP-YJGGTJCCSA-N -1 0 349.471 2.691 10 0 EFAERM NC(=O)c1cc(NC(=O)CC2CCC(C(=O)[O-])CC2)ccc1Cl ZINC000567967558 319231606 /nfs/dbraw/zinc/23/16/06/319231606.db2.gz OVFQVHJUTOEYHI-UHFFFAOYSA-N -1 0 338.791 2.659 10 0 EFAERM Cc1ccc(NS(=O)(=O)C[C@@H]2CCCC2(F)F)c(C(=O)[O-])c1 ZINC000568040677 319239672 /nfs/dbraw/zinc/23/96/72/319239672.db2.gz INNDZXNZVRJUOI-JTQLQIEISA-N -1 0 333.356 2.870 10 0 EFAERM CC(C)[C@H](C(=O)[O-])C(=O)NCc1cc(F)cc(Br)c1 ZINC000568089168 319245645 /nfs/dbraw/zinc/24/56/45/319245645.db2.gz JKULVJNGTKPEPA-NSHDSACASA-N -1 0 332.169 2.561 10 0 EFAERM C/C=C/C[C@H](NC(=O)NCC1(c2ccc(F)cc2F)CC1)C(=O)[O-] ZINC000568161246 319251276 /nfs/dbraw/zinc/25/12/76/319251276.db2.gz BUKPPLALVSQBIZ-HSWBROFVSA-N -1 0 338.354 2.715 10 0 EFAERM CC[C@@H]1CCC[C@@H]1CNC(=O)N=c1[n-]nc(-c2c[nH]nc2C)s1 ZINC000568195095 319256385 /nfs/dbraw/zinc/25/63/85/319256385.db2.gz HZTBQGVAEFYWEL-GHMZBOCLSA-N -1 0 334.449 2.606 10 0 EFAERM CC[C@H]1CCC[C@H]1CNC(=O)N=c1[n-]nc(-c2c[nH]nc2C)s1 ZINC000568195097 319256541 /nfs/dbraw/zinc/25/65/41/319256541.db2.gz HZTBQGVAEFYWEL-QWRGUYRKSA-N -1 0 334.449 2.606 10 0 EFAERM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000568227166 319261716 /nfs/dbraw/zinc/26/17/16/319261716.db2.gz SVFCOOUVGZVPEP-JTQLQIEISA-N -1 0 344.333 2.540 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ccc(C)cc3)[C@H]2C(=O)[O-])o1 ZINC000568277233 319267589 /nfs/dbraw/zinc/26/75/89/319267589.db2.gz SAOLPDCDVWKEHR-HOCLYGCPSA-N -1 0 349.408 2.528 10 0 EFAERM COc1ccc(-c2nc(CN(C)C3(C(=O)[O-])CCCCC3)no2)cc1 ZINC000568287566 319269020 /nfs/dbraw/zinc/26/90/20/319269020.db2.gz CVGPQDOESHKNED-UHFFFAOYSA-N -1 0 345.399 2.965 10 0 EFAERM Cc1cnc([C@H](C)Sc2n[n-]c(=NC[C@H]3CCCO3)s2)cn1 ZINC000568345125 319272406 /nfs/dbraw/zinc/27/24/06/319272406.db2.gz OMDVSJAFVNWXBF-WDEREUQCSA-N -1 0 337.474 2.503 10 0 EFAERM COc1ccccc1-c1n[n-]c(=NC(=O)N2CC[C@H]2C2CC2)s1 ZINC000568359746 319274862 /nfs/dbraw/zinc/27/48/62/319274862.db2.gz KAXPOTXFGZJKLO-LBPRGKRZSA-N -1 0 330.413 2.652 10 0 EFAERM Cc1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000568367061 319276118 /nfs/dbraw/zinc/27/61/18/319276118.db2.gz FOWMZSPZUSGJPQ-FZMZJTMJSA-N -1 0 331.821 2.570 10 0 EFAERM CCCSc1nsc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000568393922 319279396 /nfs/dbraw/zinc/27/93/96/319279396.db2.gz WTBDEWKJEISODV-RKDXNWHRSA-N -1 0 344.462 2.615 10 0 EFAERM CCOc1ccc(CNC(=O)NC2(C(=O)[O-])CCCCC2)cc1F ZINC000568430652 319283087 /nfs/dbraw/zinc/28/30/87/319283087.db2.gz ZPKBCISOXGGTTP-UHFFFAOYSA-N -1 0 338.379 2.811 10 0 EFAERM Cc1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCO3)[nH]n2)c(C)s1 ZINC000568462466 319284845 /nfs/dbraw/zinc/28/48/45/319284845.db2.gz XXNHVCTZYDYTIE-NSHDSACASA-N -1 0 327.431 2.740 10 0 EFAERM Cc1cc([C@@H](C)NC(=O)N[C@@]2(C(=O)[O-])CCSC2)c(C)s1 ZINC000568466437 319285251 /nfs/dbraw/zinc/28/52/51/319285251.db2.gz VNEGSHWYSVNXFG-OTYXRUKQSA-N -1 0 328.459 2.685 10 0 EFAERM Cc1cn(C2CCCCC2)[nH]c1=NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000568467037 319285278 /nfs/dbraw/zinc/28/52/78/319285278.db2.gz HCDAXGCLKRUOND-UHFFFAOYSA-N -1 0 340.431 2.852 10 0 EFAERM CCc1cnc(CCNC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000568467741 319285314 /nfs/dbraw/zinc/28/53/14/319285314.db2.gz MUHCZLNHFVXYIP-GFCCVEGCSA-N -1 0 341.477 2.827 10 0 EFAERM CO[C@H](C)c1nc(=NC[C@@H](C)N2CCc3sccc3C2)s[n-]1 ZINC000568535234 319293937 /nfs/dbraw/zinc/29/39/37/319293937.db2.gz VJMRWHRRAMDFTA-GHMZBOCLSA-N -1 0 338.502 2.588 10 0 EFAERM CO[C@H](C)c1nc(=NC[C@H](C)N2CCc3sccc3C2)s[n-]1 ZINC000568535241 319294001 /nfs/dbraw/zinc/29/40/01/319294001.db2.gz VJMRWHRRAMDFTA-WDEREUQCSA-N -1 0 338.502 2.588 10 0 EFAERM O=S(=O)([N-]c1cc([C@@H]2CCCO2)[nH]n1)c1cc2ccccc2o1 ZINC000568580688 319295991 /nfs/dbraw/zinc/29/59/91/319295991.db2.gz NXAOYKWMACNBGW-ZDUSSCGKSA-N -1 0 333.369 2.808 10 0 EFAERM O=S(=O)([N-]c1cc([C@H]2CCCO2)[nH]n1)c1cc2ccccc2o1 ZINC000568580685 319296094 /nfs/dbraw/zinc/29/60/94/319296094.db2.gz NXAOYKWMACNBGW-CYBMUJFWSA-N -1 0 333.369 2.808 10 0 EFAERM C[C@H](O)[C@@H]1CCCN(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000568591623 319297342 /nfs/dbraw/zinc/29/73/42/319297342.db2.gz DNLNVLXVYGWKON-DTWKUNHWSA-N -1 0 346.196 2.527 10 0 EFAERM CCN(CC(=O)[O-])C(=O)Nc1cccc(COCCOC(C)C)c1 ZINC000568668654 319307451 /nfs/dbraw/zinc/30/74/51/319307451.db2.gz ZCGQXOKTNKFVFL-UHFFFAOYSA-N -1 0 338.404 2.567 10 0 EFAERM Cc1nsc(C)c1CSc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000568882311 319328084 /nfs/dbraw/zinc/32/80/84/319328084.db2.gz UAIAGCBKAHVQPC-SNVBAGLBSA-N -1 0 342.515 2.917 10 0 EFAERM CCCOc1ccc(Br)cc1C[S@](=O)CC(=O)[O-] ZINC000569061738 319343607 /nfs/dbraw/zinc/34/36/07/319343607.db2.gz LJERAPGCTWAUSI-SFHVURJKSA-N -1 0 335.219 2.571 10 0 EFAERM O=C([O-])[C@H](CC(F)(F)F)NC(=O)N[C@H]1CCc2c1cccc2F ZINC000569064994 319343738 /nfs/dbraw/zinc/34/37/38/319343738.db2.gz PZGAUZLUGNQSMF-QWRGUYRKSA-N -1 0 334.269 2.518 10 0 EFAERM CC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc(C2CC2)cc1)C(=O)[O-] ZINC000569076279 319344909 /nfs/dbraw/zinc/34/49/09/319344909.db2.gz GKAFICQIJCYJIZ-IAQYHMDHSA-N -1 0 325.430 2.732 10 0 EFAERM CCC[C@@](C)(NC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C)C(=O)[O-] ZINC000569188984 319354889 /nfs/dbraw/zinc/35/48/89/319354889.db2.gz PZCHRNCJSFFODW-PIGZYNQJSA-N -1 0 338.452 2.950 10 0 EFAERM CCO[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000569195091 319356212 /nfs/dbraw/zinc/35/62/12/319356212.db2.gz RYBCYMAOCRZSNS-YLFCFFPRSA-N -1 0 346.427 2.659 10 0 EFAERM CC[C@H]1CCc2nc([N-]S(=O)(=O)C[C@@H](OC)C3CC3)sc2C1 ZINC000569221624 319359969 /nfs/dbraw/zinc/35/99/69/319359969.db2.gz GKEMSIZTNDJEET-GXFFZTMASA-N -1 0 344.502 2.825 10 0 EFAERM COc1cccc(CNC(=O)CC2CCC(C(=O)[O-])CC2)c1OC ZINC000569243905 319362736 /nfs/dbraw/zinc/36/27/36/319362736.db2.gz FELHWJCVBRTICX-UHFFFAOYSA-N -1 0 335.400 2.601 10 0 EFAERM CCC(C)(C)[C@@H](NS(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC000569367683 319374449 /nfs/dbraw/zinc/37/44/49/319374449.db2.gz KXEGVBGOXOVAME-AWEZNQCLSA-N -1 0 327.446 2.612 10 0 EFAERM COc1ccc([C@H](NC(=O)C[C@@H](C)n2cccc2)C(=O)[O-])cc1F ZINC000569430870 319378707 /nfs/dbraw/zinc/37/87/07/319378707.db2.gz ZTRVZAYEASPEMP-BZNIZROVSA-N -1 0 334.347 2.529 10 0 EFAERM Cc1ccccc1-c1nc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)no1 ZINC000569435589 319379604 /nfs/dbraw/zinc/37/96/04/319379604.db2.gz KEWQENYSJBZGHR-GFCCVEGCSA-N -1 0 341.371 2.513 10 0 EFAERM CCC[C@H](C)CS(=O)(=O)N[C@H](CC(=O)[O-])c1cccc(OC)c1 ZINC000569527443 319388498 /nfs/dbraw/zinc/38/84/98/319388498.db2.gz RFEDMZAJKVGQNA-SWLSCSKDSA-N -1 0 343.445 2.567 10 0 EFAERM Cc1ccc(F)c(NC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000569547451 319390188 /nfs/dbraw/zinc/39/01/88/319390188.db2.gz TZOSJJHTJSZGHP-UHFFFAOYSA-N -1 0 328.343 2.878 10 0 EFAERM C[C@H](Cc1ccsc1)NS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000569575258 319393467 /nfs/dbraw/zinc/39/34/67/319393467.db2.gz LAVPETNKSJAPIM-NEPJUHHUSA-N -1 0 339.486 2.751 10 0 EFAERM CC(C)CSCCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000570236451 319456659 /nfs/dbraw/zinc/45/66/59/319456659.db2.gz CTXBQPMWPDXBMC-MELADBBJSA-N -1 0 328.478 2.660 10 0 EFAERM Cc1c(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cnn1-c1cccc(C)c1 ZINC000570279806 319461200 /nfs/dbraw/zinc/46/12/00/319461200.db2.gz NMRXKRZDVMBUAM-DYVFJYSZSA-N -1 0 341.411 2.672 10 0 EFAERM CCO[C@H]1C[C@](NC(=O)NCCC2=CCCCC2)(C(=O)[O-])C1(C)C ZINC000570578630 319491230 /nfs/dbraw/zinc/49/12/30/319491230.db2.gz GFUJVNWTPVGMBC-KSSFIOAISA-N -1 0 338.448 2.835 10 0 EFAERM C[C@@H]1CCN(C(=O)NCc2c(F)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000570629809 319495894 /nfs/dbraw/zinc/49/58/94/319495894.db2.gz YQMZNOKTFDDTMU-KOLCDFICSA-N -1 0 328.771 2.731 10 0 EFAERM C[C@H]1CCN(C(=O)NCCc2ccc3ccccc3n2)C[C@H]1C(=O)[O-] ZINC000570679884 319502238 /nfs/dbraw/zinc/50/22/38/319502238.db2.gz CAEOPEGMPDIOOB-XJKSGUPXSA-N -1 0 341.411 2.530 10 0 EFAERM CCC1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000570686336 319503199 /nfs/dbraw/zinc/50/31/99/319503199.db2.gz BXTWATSAOMUDGA-UHFFFAOYSA-N -1 0 339.457 2.710 10 0 EFAERM CCC[C@@](C)(NC(=O)N[C@H](C)c1ccccc1-n1cccn1)C(=O)[O-] ZINC000570710969 319505795 /nfs/dbraw/zinc/50/57/95/319505795.db2.gz ITSDMBFOUYYNNJ-FZKQIMNGSA-N -1 0 344.415 2.876 10 0 EFAERM CC[C@H](C)Oc1cc(CNC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccn1 ZINC000570960595 319529631 /nfs/dbraw/zinc/52/96/31/319529631.db2.gz ZCPDNZBDNXDLNP-IPYPFGDCSA-N -1 0 349.431 2.511 10 0 EFAERM CC[C@H](C)Oc1cc(CNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccn1 ZINC000570960602 319529845 /nfs/dbraw/zinc/52/98/45/319529845.db2.gz ZCPDNZBDNXDLNP-YDHLFZDLSA-N -1 0 349.431 2.511 10 0 EFAERM COc1nc(N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000571050015 319537659 /nfs/dbraw/zinc/53/76/59/319537659.db2.gz ODEBGFURKHRVLI-UKRRQHHQSA-N -1 0 348.786 2.754 10 0 EFAERM Cc1ccc(O[C@H](C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1 ZINC000571143932 319545315 /nfs/dbraw/zinc/54/53/15/319545315.db2.gz TWWAXOJVALGMIL-OHFALNGGSA-N -1 0 346.427 2.657 10 0 EFAERM CCc1cccc(OCC(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)c1 ZINC000571497563 319578886 /nfs/dbraw/zinc/57/88/86/319578886.db2.gz XJBDYWBCMGKPPP-IBGZPJMESA-N -1 0 345.370 2.883 10 0 EFAERM CCCn1ncc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1C1CC1 ZINC000571524375 319582360 /nfs/dbraw/zinc/58/23/60/319582360.db2.gz YQHGAQDDQYJWRR-AAEUAGOBSA-N -1 0 334.420 2.745 10 0 EFAERM COc1cccc(-c2nc(=NC(=O)N3CC[C@@H]3C3CC3)s[n-]2)c1 ZINC000571695859 319598660 /nfs/dbraw/zinc/59/86/60/319598660.db2.gz ACFMKJZYCGHUNQ-CYBMUJFWSA-N -1 0 330.413 2.652 10 0 EFAERM CCO[C@@H]1C[C@@](NC(=O)Nc2ccc3[nH]ccc3c2)(C(=O)[O-])C1(C)C ZINC000571723144 319600819 /nfs/dbraw/zinc/60/08/19/319600819.db2.gz NTADFIWTHSFARL-RDTXWAMCSA-N -1 0 345.399 2.948 10 0 EFAERM CCCOc1cc(C)ccc1[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000571762450 319605113 /nfs/dbraw/zinc/60/51/13/319605113.db2.gz JDAWKUYBTCUPNS-MRXNPFEDSA-N -1 0 327.446 2.951 10 0 EFAERM O=C([O-])C1(CC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)CCCCC1 ZINC000572008387 319628120 /nfs/dbraw/zinc/62/81/20/319628120.db2.gz AVSVZCWWPIZXIC-HNNXBMFYSA-N -1 0 348.418 2.946 10 0 EFAERM Cc1cccc(OC[C@H](O)CN2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000572136548 319641801 /nfs/dbraw/zinc/64/18/01/319641801.db2.gz CVRXQWZGKUUEEQ-CRAIPNDOSA-N -1 0 341.407 2.813 10 0 EFAERM CC(C)COc1cccc(CNC(=O)N(CC(=O)[O-])C2CCC2)c1 ZINC000572198029 319645638 /nfs/dbraw/zinc/64/56/38/319645638.db2.gz BJCCTRDQYKJWAS-UHFFFAOYSA-N -1 0 334.416 2.870 10 0 EFAERM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)[C@H](C)O1 ZINC000572245787 319650930 /nfs/dbraw/zinc/65/09/30/319650930.db2.gz BVIGVOGSLSDURQ-VGMNWLOBSA-N -1 0 328.752 2.592 10 0 EFAERM O=C([O-])CC1(CCNS(=O)(=O)CC2CCCC2)CCCCC1 ZINC000572338946 319658980 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2.875 10 0 EFAERM O=C(Nc1cnoc1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000624009844 480564527 /nfs/dbraw/zinc/56/45/27/480564527.db2.gz ZHNXDZFCULYWNN-UHFFFAOYSA-N -1 0 349.393 2.789 10 0 EFAERM CC1(C)C[C@@H](C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])C(C)(C)O1 ZINC000630136468 480564891 /nfs/dbraw/zinc/56/48/91/480564891.db2.gz AZFDPQYSPRAKCO-CABCVRRESA-N -1 0 333.428 2.640 10 0 EFAERM CC1(C)C[C@H](C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])C(C)(C)O1 ZINC000630136472 480565001 /nfs/dbraw/zinc/56/50/01/480565001.db2.gz AZFDPQYSPRAKCO-LSDHHAIUSA-N -1 0 333.428 2.640 10 0 EFAERM CCO[C@@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(C)C ZINC000630135323 480565549 /nfs/dbraw/zinc/56/55/49/480565549.db2.gz KSMVUAZJRREALT-QGZVFWFLSA-N -1 0 344.411 2.812 10 0 EFAERM COCc1sccc1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000630138594 480566323 /nfs/dbraw/zinc/56/63/23/480566323.db2.gz MRYWULRAESBICZ-AWEZNQCLSA-N -1 0 347.436 2.876 10 0 EFAERM O=C([O-])c1csc(CNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)n1 ZINC000630139112 480567297 /nfs/dbraw/zinc/56/72/97/480567297.db2.gz DZFYEKYAOCVNNW-RYUDHWBXSA-N -1 0 334.372 2.790 10 0 EFAERM Cc1cccc(C[C@H](CNC(=O)[C@@H]2CC(C)(C)OC2(C)C)C(=O)[O-])c1 ZINC000630139172 480567823 /nfs/dbraw/zinc/56/78/23/480567823.db2.gz QJPHUSRZRHSYJV-CVEARBPZSA-N -1 0 347.455 2.948 10 0 EFAERM O=C([O-])C1(CNC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)CCCC1 ZINC000630139990 480567992 /nfs/dbraw/zinc/56/79/92/480567992.db2.gz LDRSJBYTAAYEGM-NWANDNLSSA-N -1 0 333.815 2.987 10 0 EFAERM COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c(C)c1OC ZINC000634836336 480568725 /nfs/dbraw/zinc/56/87/25/480568725.db2.gz COTAMMJDILUXMV-IACUBPJLSA-N -1 0 335.400 2.690 10 0 EFAERM O=C([O-])[C@@H]1CCC[C@H]1C(=O)NCCn1ccc2cc(Cl)ccc21 ZINC000634835416 480569466 /nfs/dbraw/zinc/56/94/66/480569466.db2.gz DJNCKNKMBSJPAD-ZIAGYGMSSA-N -1 0 334.803 2.912 10 0 EFAERM COc1ccc2c(CC(=O)N(CCC(=O)[O-])C3CC3)coc2c1C ZINC000630144228 480570019 /nfs/dbraw/zinc/57/00/19/480570019.db2.gz DWRGMTFZLXTBMW-UHFFFAOYSA-N -1 0 331.368 2.758 10 0 EFAERM O=C([O-])c1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)o1 ZINC000630143127 480570067 /nfs/dbraw/zinc/57/00/67/480570067.db2.gz VWQIBZWKUFNZRZ-VHDGCEQUSA-N -1 0 331.755 2.833 10 0 EFAERM C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000634838146 480571527 /nfs/dbraw/zinc/57/15/27/480571527.db2.gz ADMIFNDMYKFGQJ-BNOWGMLFSA-N -1 0 345.374 2.690 10 0 EFAERM Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1C(F)(F)F ZINC000630145921 480571846 /nfs/dbraw/zinc/57/18/46/480571846.db2.gz DXNOYUAQAUNZAZ-CYBMUJFWSA-N -1 0 333.331 2.704 10 0 EFAERM COc1ccccc1C[C@@H](CNC(=O)C[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000630146527 480572089 /nfs/dbraw/zinc/57/20/89/480572089.db2.gz AWSSDHLDDSJSDO-PWSUYJOCSA-N -1 0 347.333 2.643 10 0 EFAERM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000630147343 480572333 /nfs/dbraw/zinc/57/23/33/480572333.db2.gz GTKXETUXQXTPNN-BBWFWOEESA-N -1 0 331.412 2.690 10 0 EFAERM CCc1oc2ccccc2c1CC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000630147955 480573339 /nfs/dbraw/zinc/57/33/39/480573339.db2.gz YYQAMELKFLSQOA-QGZVFWFLSA-N -1 0 333.409 2.614 10 0 EFAERM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000630149786 480574765 /nfs/dbraw/zinc/57/47/65/480574765.db2.gz USWMSERWSGMLSI-AWEZNQCLSA-N -1 0 336.432 2.830 10 0 EFAERM O=C([O-])C1(CC(=O)NCc2cccc3ccccc32)CCOCC1 ZINC000630150325 480574778 /nfs/dbraw/zinc/57/47/78/480574778.db2.gz ACFLRARCVRDJKN-UHFFFAOYSA-N -1 0 327.380 2.728 10 0 EFAERM CCOc1cc(Cl)ccc1NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC000630152784 480577312 /nfs/dbraw/zinc/57/73/12/480577312.db2.gz NAHDVHJUZYEWHC-UHFFFAOYSA-N -1 0 341.791 2.949 10 0 EFAERM CC[C@H](CNC(=O)CC1(C(=O)[O-])CCOCC1)Oc1ccccc1C ZINC000630154221 480578158 /nfs/dbraw/zinc/57/81/58/480578158.db2.gz UYDJCWJUOWEZTC-OAHLLOKOSA-N -1 0 349.427 2.540 10 0 EFAERM Cc1ccc(COCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000621533025 480578260 /nfs/dbraw/zinc/57/82/60/480578260.db2.gz UEHVRJXXCLNREQ-CQSZACIVSA-N -1 0 333.409 2.905 10 0 EFAERM CC[C@H]1CN(C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)CC[C@H]1c1ccccc1 ZINC000630153591 480578355 /nfs/dbraw/zinc/57/83/55/480578355.db2.gz FRIWOXCAGNTCOZ-ABJHKEKUSA-N -1 0 345.439 2.907 10 0 EFAERM COc1cc(F)cc(-c2noc(=N[C@@H]3CCC[C@H]4OCC[C@@H]43)[n-]2)c1 ZINC000624037336 480578551 /nfs/dbraw/zinc/57/85/51/480578551.db2.gz WMOTYWSMZJDRLS-RBSFLKMASA-N -1 0 333.363 2.676 10 0 EFAERM COCC1(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)CCCCC1 ZINC000621536177 480579065 /nfs/dbraw/zinc/57/90/65/480579065.db2.gz BIVFEGZETXSLGZ-NSHDSACASA-N -1 0 340.445 2.924 10 0 EFAERM Cc1cccc(COCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000621536225 480579845 /nfs/dbraw/zinc/57/98/45/480579845.db2.gz CIBSGPYFFKPLJT-MRXNPFEDSA-N -1 0 333.428 2.861 10 0 EFAERM Cc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)n1[C@H]1CCOC1 ZINC000630157923 480580340 /nfs/dbraw/zinc/58/03/40/480580340.db2.gz HXMRAECORPJOIH-CVEARBPZSA-N -1 0 348.443 2.783 10 0 EFAERM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC000630157175 480580679 /nfs/dbraw/zinc/58/06/79/480580679.db2.gz QRQVCRCMECYMAL-SJCJKPOMSA-N -1 0 349.402 2.837 10 0 EFAERM COCC1(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCCCC1 ZINC000621537412 480580678 /nfs/dbraw/zinc/58/06/78/480580678.db2.gz QNXCXFGYEUHBNA-SFHVURJKSA-N -1 0 333.428 2.742 10 0 EFAERM Cc1nc([C@H](C)NC(=O)C(C)(C)[C@H]2CCCCO2)sc1C(=O)[O-] ZINC000630158763 480580932 /nfs/dbraw/zinc/58/09/32/480580932.db2.gz DWGCKRZGDBJIFF-WDEREUQCSA-N -1 0 340.445 2.922 10 0 EFAERM Cc1cccc(COCC(=O)N(C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000621537484 480581102 /nfs/dbraw/zinc/58/11/02/480581102.db2.gz SUCFBMVBPYABEU-GOSISDBHSA-N -1 0 341.407 2.666 10 0 EFAERM Cc1cccc(COCC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000621537437 480581210 /nfs/dbraw/zinc/58/12/10/480581210.db2.gz RGFRVVHQPMGDBS-FQEVSTJZSA-N -1 0 341.407 2.670 10 0 EFAERM CC(C)(C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)[C@H]1CCCCO1 ZINC000630159480 480581614 /nfs/dbraw/zinc/58/16/14/480581614.db2.gz ZPXACBKUGPSGNZ-MRXNPFEDSA-N -1 0 331.412 2.865 10 0 EFAERM C[C@@H]1C[C@H](C(=O)N2CCS[C@H](C)[C@@H]2c2ccccc2)O[C@H]1C(=O)[O-] ZINC000630160049 480582063 /nfs/dbraw/zinc/58/20/63/480582063.db2.gz ZRPRUJMBXVUJDZ-CCECPURYSA-N -1 0 349.452 2.570 10 0 EFAERM Cc1nc(CNC(=O)C2CCc3ccccc3CC2)sc1C(=O)[O-] ZINC000630161618 480582714 /nfs/dbraw/zinc/58/27/14/480582714.db2.gz YBVCPXANWANEIA-UHFFFAOYSA-N -1 0 344.436 2.961 10 0 EFAERM Cc1nc([C@H](C)NC(=O)c2ocnc2C(F)F)sc1C(=O)[O-] ZINC000630161017 480582833 /nfs/dbraw/zinc/58/28/33/480582833.db2.gz RUWHIUHAUGZTBA-YFKPBYRVSA-N -1 0 331.300 2.566 10 0 EFAERM Cc1nc(CNC(=O)[C@@H](C)OCc2ccccc2C)sc1C(=O)[O-] ZINC000630160978 480582930 /nfs/dbraw/zinc/58/29/30/480582930.db2.gz QXRPUMGKJZUTQT-GFCCVEGCSA-N -1 0 348.424 2.680 10 0 EFAERM CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000634853778 480583117 /nfs/dbraw/zinc/58/31/17/480583117.db2.gz BRHUGFICZHAMIU-ZIAGYGMSSA-N -1 0 335.400 2.553 10 0 EFAERM CC(C)(CNS(=O)(=O)c1cccc(Cl)c1[O-])OCC1CC1 ZINC000632455436 480584186 /nfs/dbraw/zinc/58/41/86/480584186.db2.gz CVHKXDMJMMRXCF-UHFFFAOYSA-N -1 0 333.837 2.529 10 0 EFAERM C[C@@H]1C[C@H](C(=O)N[C@@H](CC2CCC2)c2ccccc2)O[C@H]1C(=O)[O-] ZINC000630165560 480584663 /nfs/dbraw/zinc/58/46/63/480584663.db2.gz IMPRZANEYQQRBI-VJUNAUMWSA-N -1 0 331.412 2.912 10 0 EFAERM Cc1nc2ccc(NC(=O)CC3(C(=O)[O-])CCOCC3)cc2s1 ZINC000630163932 480585122 /nfs/dbraw/zinc/58/51/22/480585122.db2.gz QWSKYWHTMOJNKH-UHFFFAOYSA-N -1 0 334.397 2.815 10 0 EFAERM C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000630165542 480585207 /nfs/dbraw/zinc/58/52/07/480585207.db2.gz UUZJZOZWXZVOPA-QPPBUOOMSA-N -1 0 348.424 2.694 10 0 EFAERM C[C@@H]1C[C@H](C(=O)N[C@H](CC2CCC2)c2ccccc2)O[C@H]1C(=O)[O-] ZINC000630165559 480585234 /nfs/dbraw/zinc/58/52/34/480585234.db2.gz IMPRZANEYQQRBI-BASLNEPJSA-N -1 0 331.412 2.912 10 0 EFAERM O=C([O-])C1(CC(=O)N2CCC[C@H]2/C=C/c2ccccc2)CCOCC1 ZINC000630166420 480585670 /nfs/dbraw/zinc/58/56/70/480585670.db2.gz PCUJNECAFAVHTN-IJDCCNJMSA-N -1 0 343.423 2.962 10 0 EFAERM COc1ccc(C[C@@H](C)CNC(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000630165992 480585736 /nfs/dbraw/zinc/58/57/36/480585736.db2.gz MABNXWOOHXIVPF-LLVKDONJSA-N -1 0 331.368 2.903 10 0 EFAERM O=C([O-])C1(CC(=O)NC2(Cc3ccccc3)CCCC2)CCOCC1 ZINC000630166865 480585903 /nfs/dbraw/zinc/58/59/03/480585903.db2.gz SMSJHJWLGAGJPV-UHFFFAOYSA-N -1 0 345.439 2.930 10 0 EFAERM CO[C@@](C)([C@H](C)NS(=O)(=O)c1cccc(Cl)c1[O-])C1CC1 ZINC000632455816 480586174 /nfs/dbraw/zinc/58/61/74/480586174.db2.gz NCWNTIRFNZWUEK-XPTSAGLGSA-N -1 0 333.837 2.528 10 0 EFAERM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CC1(C(=O)[O-])CCOCC1 ZINC000630167880 480586779 /nfs/dbraw/zinc/58/67/79/480586779.db2.gz MJHYXHMWZVIOEJ-STQMWFEESA-N -1 0 349.402 2.931 10 0 EFAERM C[C@@H]1C[C@H](C(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)O[C@H]1C(=O)[O-] ZINC000630167875 480586924 /nfs/dbraw/zinc/58/69/24/480586924.db2.gz MIWUPQHURVLBTQ-IVWQEZMVSA-N -1 0 335.375 2.538 10 0 EFAERM 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2.916 10 0 EFAERM CCc1ccsc1C(=O)N[C@H](c1nnn[n-]1)c1cc(F)ccc1F ZINC000065491474 1424124966 /nfs/dbraw/zinc/12/49/66/1424124966.db2.gz OFGOWJFRFWAOKN-LBPRGKRZSA-N -1 0 349.366 2.621 10 0 EFAERM FC(F)(F)c1ccc(Br)cc1NCCc1nn[n-]n1 ZINC000312021013 1424164827 /nfs/dbraw/zinc/16/48/27/1424164827.db2.gz VBYGWXOUDJFZLS-UHFFFAOYSA-N -1 0 336.115 2.636 10 0 EFAERM Cc1ccc(CCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(C)c1 ZINC000135545487 1424220091 /nfs/dbraw/zinc/22/00/91/1424220091.db2.gz YCJUWFSHOXIFQW-UHFFFAOYSA-N -1 0 335.411 2.979 10 0 EFAERM CCOc1c(F)cccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135552284 1424330221 /nfs/dbraw/zinc/33/02/21/1424330221.db2.gz BKSIPFOSRNIFAL-UHFFFAOYSA-N -1 0 341.346 2.581 10 0 EFAERM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000136982071 1424418187 /nfs/dbraw/zinc/41/81/87/1424418187.db2.gz WQXUNVVJAOFIGY-IRXDYDNUSA-N -1 0 349.394 2.541 10 0 EFAERM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000135558207 1424433662 /nfs/dbraw/zinc/43/36/62/1424433662.db2.gz YLTYQQYKZTUQEM-UHFFFAOYSA-N -1 0 337.427 2.945 10 0 EFAERM CCC[C@H](NC(=O)C=C(CC)c1ccc(OC)cc1)c1nn[n-]n1 ZINC000178894670 1424433961 /nfs/dbraw/zinc/43/39/61/1424433961.db2.gz UNOOAFYJIDFLSA-RUMSDORHSA-N -1 0 329.404 2.659 10 0 EFAERM COc1ccc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000056683706 1424469889 /nfs/dbraw/zinc/46/98/89/1424469889.db2.gz LDEXDSAKBBIFQF-VURMDHGXSA-N -1 0 339.330 2.666 10 0 EFAERM CC(=O)c1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1C ZINC000194324249 1424541567 /nfs/dbraw/zinc/54/15/67/1424541567.db2.gz VVWWELPZIRPYPM-UHFFFAOYSA-N -1 0 335.367 2.554 10 0 EFAERM Cc1cccc(-c2cncc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)c2)c1 ZINC000155526209 1424845696 /nfs/dbraw/zinc/84/56/96/1424845696.db2.gz KNWDTILVKFCQPP-OAHLLOKOSA-N -1 0 348.410 2.590 10 0 EFAERM CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(Nc3nnn[n-]3)c2)C1 ZINC000907921763 1424914337 /nfs/dbraw/zinc/91/43/37/1424914337.db2.gz PWPYYKPCMHZNBB-ZDUSSCGKSA-N -1 0 328.420 2.842 10 0 EFAERM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@H]1c1ccccc1 ZINC000897400321 1425726841 /nfs/dbraw/zinc/72/68/41/1425726841.db2.gz MYSANYYEDXRDCP-INIZCTEOSA-N -1 0 334.383 2.629 10 0 EFAERM CC(C)(C)C[C@@H]1CCN(C(=O)c2cccc(Nc3nnn[n-]3)c2)C1 ZINC000909423602 1426085664 /nfs/dbraw/zinc/08/56/64/1426085664.db2.gz JSCNFEMEQLUKLX-LBPRGKRZSA-N -1 0 328.420 2.842 10 0 EFAERM Cc1ccc(-c2ccc(C(=O)NC3(c4nn[n-]n4)CC3)c(F)c2)cc1 ZINC000348297480 1426113682 /nfs/dbraw/zinc/11/36/82/1426113682.db2.gz LSOHOVGBAJYCHT-UHFFFAOYSA-N -1 0 337.358 2.733 10 0 EFAERM O=C(CC[C@@H]1CCc2ccccc21)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000878377329 1426247208 /nfs/dbraw/zinc/24/72/08/1426247208.db2.gz BBPJFPCINWZFLX-KXBFYZLASA-N -1 0 347.422 2.916 10 0 EFAERM CCCCc1oc2ccccc2c1C=CC(=O)NCc1nn[n-]n1 ZINC000732157857 1426808490 /nfs/dbraw/zinc/80/84/90/1426808490.db2.gz IYCGODSOSQLBJZ-MDZDMXLPSA-N -1 0 325.372 2.618 10 0 EFAERM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(Nc3nnn[n-]3)c2)C1 ZINC000900891554 1426861755 /nfs/dbraw/zinc/86/17/55/1426861755.db2.gz TZHFYTVIXGJWGR-ZIAGYGMSSA-N -1 0 346.460 2.690 10 0 EFAERM C[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC000427084742 1429874872 /nfs/dbraw/zinc/87/48/72/1429874872.db2.gz AOPBTZGDQTUFBN-JTQLQIEISA-N -1 0 343.337 2.811 10 0 EFAERM CCC(CC)(CNC(=O)c1cccc(Nc2nnn[n-]2)c1)SC ZINC000900873577 1429899457 /nfs/dbraw/zinc/89/94/57/1429899457.db2.gz BVZGPVXOOCWNQA-UHFFFAOYSA-N -1 0 334.449 2.595 10 0 EFAERM CCCOc1ccc(CCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000361721272 1430133305 /nfs/dbraw/zinc/13/33/05/1430133305.db2.gz NPFKXFKCMLHIOV-UHFFFAOYSA-N -1 0 343.431 2.507 10 0 EFAERM O=C(c1cccc(Nc2nnn[n-]2)c1)N1CCC[C@H]1C1CCCC1 ZINC000900312520 1441539141 /nfs/dbraw/zinc/53/91/41/1441539141.db2.gz CYIWWPJOBATJAM-HNNXBMFYSA-N -1 0 326.404 2.738 10 0 EFAERM CCC[C@@H](NC(=O)c1ccc(-c2ccc(C=O)cc2)cc1)c1nn[n-]n1 ZINC001137206333 1441826694 /nfs/dbraw/zinc/82/66/94/1441826694.db2.gz OFNPGDIUFIWROD-QGZVFWFLSA-N -1 0 349.394 2.950 10 0 EFAERM CC(C)(C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc(Cl)cc1 ZINC000129368262 1441885564 /nfs/dbraw/zinc/88/55/64/1441885564.db2.gz JOQCYMFALLKXAP-LLVKDONJSA-N -1 0 333.823 2.537 10 0 EFAERM O=C(NCC1CC(c2ccccc2)C1)c1cccc(Nc2nnn[n-]2)c1 ZINC000908060225 1442083266 /nfs/dbraw/zinc/08/32/66/1442083266.db2.gz ZEMGRABTGDZEGD-UHFFFAOYSA-N -1 0 348.410 2.867 10 0 EFAERM CC1(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)CCC(F)(F)CC1 ZINC000913436510 1443142854 /nfs/dbraw/zinc/14/28/54/1443142854.db2.gz DJYZVQMVBKUWNY-GFCCVEGCSA-N -1 0 335.358 2.621 10 0 EFAERM Brc1cnccc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000703732291 1443438058 /nfs/dbraw/zinc/43/80/58/1443438058.db2.gz PBAUKIMENVIQGT-UHFFFAOYSA-N -1 0 331.177 2.636 10 0 EFAERM Cc1ccc([C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)C2)c(C)c1 ZINC000897614666 1443605172 /nfs/dbraw/zinc/60/51/72/1443605172.db2.gz ZENFHAVYVQULGS-HNNXBMFYSA-N -1 0 348.410 2.508 10 0 EFAERM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000913357638 1443868489 /nfs/dbraw/zinc/86/84/89/1443868489.db2.gz MHGCLOLIVFSCPV-RKDXNWHRSA-N -1 0 325.294 2.784 10 0 EFAERM CCC(CC)(C(=O)NC1(c2nn[n-]n2)CC1)c1ccc(Cl)cc1 ZINC000348293842 1443896565 /nfs/dbraw/zinc/89/65/65/1443896565.db2.gz PLXHPBPLUXZKOE-UHFFFAOYSA-N -1 0 333.823 2.716 10 0 EFAERM C[C@@H](CN(C)C(=O)C=Cc1csc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000860786188 1443988613 /nfs/dbraw/zinc/98/86/13/1443988613.db2.gz YDOVXHUCROODEQ-VEMNSZJBSA-N -1 0 345.350 2.555 10 0 EFAERM C[C@H](CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)c1nn[n-]n1 ZINC000427462439 1444020084 /nfs/dbraw/zinc/02/00/84/1444020084.db2.gz LXRQCYXGHMCTBC-SNVBAGLBSA-N -1 0 344.806 2.724 10 0 EFAERM CC(=CC(=O)NC1(c2nn[n-]n2)CCCC1)c1cccc(Cl)c1 ZINC000750004091 1446251274 /nfs/dbraw/zinc/25/12/74/1446251274.db2.gz PQVHOPWUVPWJLG-LUAWRHEFSA-N -1 0 331.807 2.842 10 0 EFAERM O=C(c1ccc2c(c1)Cc1ccccc1-2)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155463765 1446481066 /nfs/dbraw/zinc/48/10/66/1446481066.db2.gz ZWJGKBLEOYCUBV-OAHLLOKOSA-N -1 0 345.406 2.791 10 0 EFAERM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(Nc2nnn[n-]2)c1 ZINC000900765922 1446651741 /nfs/dbraw/zinc/65/17/41/1446651741.db2.gz DJRVGPPTNIQLLK-KRWDZBQOSA-N -1 0 348.410 2.694 10 0 EFAERM O=C(c1cccc(C2CCCC2)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745964 1446800305 /nfs/dbraw/zinc/80/03/05/1446800305.db2.gz REZJVTXEOIIPRB-UHFFFAOYSA-N -1 0 325.416 2.877 10 0 EFAERM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc(Nc2nnn[n-]2)c1 ZINC000911326321 1447240622 /nfs/dbraw/zinc/24/06/22/1447240622.db2.gz CHBCQDAUHOKPAX-GXTWGEPZSA-N -1 0 326.404 2.642 10 0 EFAERM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000359521234 1450155509 /nfs/dbraw/zinc/15/55/09/1450155509.db2.gz GGROAMVNBIIEOE-SNVBAGLBSA-N -1 0 325.376 2.595 10 0 EFAERM CCc1c2ccccc2oc1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001123910147 1450268554 /nfs/dbraw/zinc/26/85/54/1450268554.db2.gz HTMVKPYOBLOCFI-GFCCVEGCSA-N -1 0 339.399 2.603 10 0 EFAERM CC(C)(C)c1cnc(NC(=O)c2cccc(Nc3nnn[n-]3)c2)s1 ZINC001148210524 1450391221 /nfs/dbraw/zinc/39/12/21/1450391221.db2.gz LUWQXSWTWZHQKX-UHFFFAOYSA-N -1 0 343.416 2.950 10 0 EFAERM Cc1ccc(S(=O)(=O)[N-]C(=O)CSC(C)(C)C)cc1Cl ZINC000177637365 713814923 /nfs/dbraw/zinc/81/49/23/713814923.db2.gz MPBXRRBRXKZLBS-UHFFFAOYSA-N -1 0 335.878 2.985 10 0 EFAERM Cc1nc(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)cs1 ZINC000069625728 713205149 /nfs/dbraw/zinc/20/51/49/713205149.db2.gz CMFODGPHCYGOFA-UHFFFAOYSA-N -1 0 332.353 2.618 10 0 EFAERM O=C(/C=C\c1ccccc1Cl)[N-]S(=O)(=O)c1cccs1 ZINC000255006558 713261626 /nfs/dbraw/zinc/26/16/26/713261626.db2.gz IBXNZMPIJDQJCU-FPLPWBNLSA-N -1 0 327.814 2.920 10 0 EFAERM Cn1ccc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)n1 ZINC000255011632 713285410 /nfs/dbraw/zinc/28/54/10/713285410.db2.gz KPAYFWUQVSCHIM-VURMDHGXSA-N -1 0 342.218 2.595 10 0 EFAERM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CC=CC[C@H]3C)cc2[n-]c1=S ZINC000890769882 713459995 /nfs/dbraw/zinc/45/99/95/713459995.db2.gz JJEUBKJWDVDXCV-BXUZGUMPSA-N -1 0 343.452 2.790 10 0 EFAERM O=S(=O)(/C=C\c1ccccc1)[N-]c1ccn(Cc2ccncc2)n1 ZINC000255067396 713572892 /nfs/dbraw/zinc/57/28/92/713572892.db2.gz VCMYAZMNGRKOEY-LCYFTJDESA-N -1 0 340.408 2.739 10 0 EFAERM CCc1ccc(NC(=O)C(=O)[N-]OCc2ccccc2)cc1CC ZINC000179832511 717910585 /nfs/dbraw/zinc/91/05/85/717910585.db2.gz IJSIZUHOLPTXFI-UHFFFAOYSA-N -1 0 326.396 2.998 10 0 EFAERM C/C(=C/C(=O)[N-]S(=O)(=O)C(C)C)c1ccccc1C(F)(F)F ZINC000255109712 713720564 /nfs/dbraw/zinc/72/05/64/713720564.db2.gz JXDBASPRQGQARD-NTMALXAHSA-N -1 0 335.347 2.963 10 0 EFAERM O=C([O-])CC[C@H]1CCCN(S(=O)(=O)c2cccc3ncccc32)C1 ZINC000325559280 713766407 /nfs/dbraw/zinc/76/64/07/713766407.db2.gz GIDDNUSWQXXELW-CYBMUJFWSA-N -1 0 348.424 2.500 10 0 EFAERM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccco2)cc1Cl ZINC000177633643 713810334 /nfs/dbraw/zinc/81/03/34/713810334.db2.gz WPSIYDRIXRVCBA-FNORWQNLSA-N -1 0 325.773 2.760 10 0 EFAERM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2)cc1Cl ZINC000177634333 713811355 /nfs/dbraw/zinc/81/13/55/713811355.db2.gz 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2.653 10 0 EFAERM CCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1Br ZINC000909804113 727381346 /nfs/dbraw/zinc/38/13/46/727381346.db2.gz CCQGRQRXTNPURH-JOYOIKCWSA-N -1 0 340.217 2.947 10 0 EFAERM CO[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C)c1ccc(O)cc1 ZINC000909805224 727381482 /nfs/dbraw/zinc/38/14/82/727381482.db2.gz XQQFZCHZVCTHRP-DLBZAZTESA-N -1 0 343.379 2.639 10 0 EFAERM CCC[C@H](CNC(=O)c1cccc(COC2CCOCC2)c1)C(=O)[O-] ZINC000909809913 727382122 /nfs/dbraw/zinc/38/21/22/727382122.db2.gz UWPWONKYUHAKAH-MRXNPFEDSA-N -1 0 349.427 2.613 10 0 EFAERM CCC[C@@H](CNC(=O)c1ccc2c(c1)nc(C(F)F)n2C)C(=O)[O-] ZINC000909810232 727382227 /nfs/dbraw/zinc/38/22/27/727382227.db2.gz WDLOMWJPGGOKMW-JTQLQIEISA-N -1 0 339.342 2.742 10 0 EFAERM CCC[C@H](CNC(=O)c1sc([C@@H]2CCCOC2)nc1C)C(=O)[O-] ZINC000909813639 727382761 /nfs/dbraw/zinc/38/27/61/727382761.db2.gz LMBGJFYFPXRZHN-VXGBXAGGSA-N -1 0 340.445 2.576 10 0 EFAERM Cc1nc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])sc1C ZINC000909814282 727382786 /nfs/dbraw/zinc/38/27/86/727382786.db2.gz NFAWDVLLKLMNDX-LBPRGKRZSA-N -1 0 338.816 2.839 10 0 EFAERM Cc1ccn([C@H](C)CC(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000909814968 727382834 /nfs/dbraw/zinc/38/28/34/727382834.db2.gz SUYAAJDJMGNUJD-IUODEOHRSA-N -1 0 349.818 2.608 10 0 EFAERM CC(C)(C)C[C@H](O)CC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000909814699 727382889 /nfs/dbraw/zinc/38/28/89/727382889.db2.gz AFWDRBUSJSVQPY-KGLIPLIRSA-N -1 0 341.835 2.639 10 0 EFAERM O=C([O-])[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000909815009 727382902 /nfs/dbraw/zinc/38/29/02/727382902.db2.gz DBPQTBGLXAIAMS-XHSDSOJGSA-N -1 0 344.798 2.651 10 0 EFAERM CC[C@@H]1C[C@@H](C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)[O-])CCO1 ZINC000909814687 727382938 /nfs/dbraw/zinc/38/29/38/727382938.db2.gz AADNVNIYBOPRHG-NWANDNLSSA-N -1 0 339.819 2.657 10 0 EFAERM CCC(C)(C)OCC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000909816702 727383194 /nfs/dbraw/zinc/38/31/94/727383194.db2.gz SXHZJLOLBVFTTG-ZDUSSCGKSA-N -1 0 327.808 2.657 10 0 EFAERM CC(C)n1cc(C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)[O-])cn1 ZINC000909816752 727383207 /nfs/dbraw/zinc/38/32/07/727383207.db2.gz VEMQYNCAAAJWGV-CQSZACIVSA-N -1 0 335.791 2.543 10 0 EFAERM CO[C@@H](CC(C)C)C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000909816294 727383308 /nfs/dbraw/zinc/38/33/08/727383308.db2.gz SEOJRBAQPFARRG-KGLIPLIRSA-N -1 0 327.808 2.513 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000909818572 727383615 /nfs/dbraw/zinc/38/36/15/727383615.db2.gz KUOYKBQNJWVEBK-LBPRGKRZSA-N -1 0 333.432 2.880 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000909819311 727383760 /nfs/dbraw/zinc/38/37/60/727383760.db2.gz NQHQMBTUOZWSQS-MAUKXSAKSA-N -1 0 333.432 2.735 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000909820546 727384079 /nfs/dbraw/zinc/38/40/79/727384079.db2.gz QMAZSMDUMATGRS-CYBMUJFWSA-N -1 0 333.432 2.880 10 0 EFAERM Cc1coc(C)c1C(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000909821088 727384100 /nfs/dbraw/zinc/38/41/00/727384100.db2.gz SLNIQHNLFUZTLL-UHFFFAOYSA-N -1 0 331.372 2.577 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)C2=CCCCCC2)CC1 ZINC000909822442 727384304 /nfs/dbraw/zinc/38/43/04/727384304.db2.gz ZZPZPHGETVFKFK-UHFFFAOYSA-N -1 0 331.416 2.944 10 0 EFAERM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000909854348 727385897 /nfs/dbraw/zinc/38/58/97/727385897.db2.gz JEVPCDMRPGHCPF-INIZCTEOSA-N -1 0 329.400 2.503 10 0 EFAERM O=C([O-])c1nc(C(=O)N2CCc3sc(Cl)cc3C2)cs1 ZINC000909859809 727386801 /nfs/dbraw/zinc/38/68/01/727386801.db2.gz XXNPFEMFDRXJKC-UHFFFAOYSA-N -1 0 328.802 2.755 10 0 EFAERM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccnn2C2CCOCC2)cc1 ZINC000909835183 727387281 /nfs/dbraw/zinc/38/72/81/727387281.db2.gz DZJXRASBPFBNQG-GFCCVEGCSA-N -1 0 343.383 2.675 10 0 EFAERM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@@]2(C)Br)c1 ZINC000909834676 727387284 /nfs/dbraw/zinc/38/72/84/727387284.db2.gz MZRISZXIKIVRSI-OLXJLDBKSA-N -1 0 326.190 2.987 10 0 EFAERM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cn3c(n2)CC[C@@H](C)C3)c1 ZINC000909835955 727387608 /nfs/dbraw/zinc/38/76/08/727387608.db2.gz XXLIWLCXEDCBIQ-NEPJUHHUSA-N -1 0 327.384 2.906 10 0 EFAERM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1ccn2nccc2n1 ZINC000909842083 727388574 /nfs/dbraw/zinc/38/85/74/727388574.db2.gz BICUESMTKMJGNV-AWEZNQCLSA-N -1 0 344.415 2.663 10 0 EFAERM COc1cccc(C(F)F)c1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000909843001 727388920 /nfs/dbraw/zinc/38/89/20/727388920.db2.gz QRQHHLVLNAJNLQ-INIZCTEOSA-N -1 0 327.327 2.960 10 0 EFAERM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2noc3c2CCc2ccccc2-3)C1 ZINC000909843847 727388952 /nfs/dbraw/zinc/38/89/52/727388952.db2.gz WLWRJNQUBQEIET-LJQANCHMSA-N -1 0 340.379 2.767 10 0 EFAERM C[C@@]1(Br)C[C@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000909845451 727389504 /nfs/dbraw/zinc/38/95/04/727389504.db2.gz BDXKDJPADVECMW-TVQRCGJNSA-N -1 0 330.153 2.565 10 0 EFAERM CC[C@H](C)C[C@@H](NC(=O)c1ccc(Nc2ccn(C)n2)cc1)C(=O)[O-] ZINC000909864548 727390026 /nfs/dbraw/zinc/39/00/26/727390026.db2.gz BHNMAPXXJROOKO-SWLSCSKDSA-N -1 0 344.415 2.783 10 0 EFAERM CC[C@H](C)C[C@H](NC(=O)c1cnnc(-c2ccccc2)c1)C(=O)[O-] ZINC000909865329 727390221 /nfs/dbraw/zinc/39/02/21/727390221.db2.gz GMPAOHVXNYWGLD-LRDDRELGSA-N -1 0 327.384 2.763 10 0 EFAERM O=C([O-])c1cccc2c1CN(C(=O)CCCc1nccs1)CC2 ZINC000909867115 727390498 /nfs/dbraw/zinc/39/04/98/727390498.db2.gz YLBXBUOFLRRURH-UHFFFAOYSA-N -1 0 330.409 2.749 10 0 EFAERM CC[C@@H](C)C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)C(=O)[O-] ZINC000909869812 727390588 /nfs/dbraw/zinc/39/05/88/727390588.db2.gz ZMAVFGBOWZNXBG-CJNGLKHVSA-N -1 0 329.400 2.551 10 0 EFAERM CC[C@H](C)C[C@@H](NC(=O)Cc1cc(C(F)(F)F)ccn1)C(=O)[O-] ZINC000909869326 727390609 /nfs/dbraw/zinc/39/06/09/727390609.db2.gz YARBOVULVQRFIQ-JOYOIKCWSA-N -1 0 332.322 2.649 10 0 EFAERM CC(C)(C)C[C@@H](NC(=O)Cc1cc(C(F)(F)F)ccn1)C(=O)[O-] ZINC000909881313 727391653 /nfs/dbraw/zinc/39/16/53/727391653.db2.gz ZSPDUXIXVYAORF-LLVKDONJSA-N -1 0 332.322 2.649 10 0 EFAERM CC[C@H](C)C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)C(=O)[O-] ZINC000909862237 727392718 /nfs/dbraw/zinc/39/27/18/727392718.db2.gz MTJQUFQOTHSPGH-WMLDXEAASA-N -1 0 332.444 2.902 10 0 EFAERM COC1(C[C@H](NC(=O)Cc2c(C)oc3ccccc32)C(=O)[O-])CCC1 ZINC000909893065 727393885 /nfs/dbraw/zinc/39/38/85/727393885.db2.gz GECQXRJVTRJLEH-HNNXBMFYSA-N -1 0 345.395 2.812 10 0 EFAERM COC1(C[C@H](NC(=O)Cc2c(C)cccc2Cl)C(=O)[O-])CCC1 ZINC000909892713 727393912 /nfs/dbraw/zinc/39/39/12/727393912.db2.gz DLTWPVUVZQQFIN-AWEZNQCLSA-N -1 0 339.819 2.720 10 0 EFAERM COC1(C[C@H](NC(=O)c2c(C)oc3ccccc32)C(=O)[O-])CCC1 ZINC000909893491 727394044 /nfs/dbraw/zinc/39/40/44/727394044.db2.gz IZQMCAHRGCNKNA-ZDUSSCGKSA-N -1 0 331.368 2.883 10 0 EFAERM COC1(C[C@H](NC(=O)Cc2cccc(C)c2Cl)C(=O)[O-])CCC1 ZINC000909895326 727394096 /nfs/dbraw/zinc/39/40/96/727394096.db2.gz QWTUEGJXBPECRY-ZDUSSCGKSA-N -1 0 339.819 2.720 10 0 EFAERM CCCc1cc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000909896866 727394119 /nfs/dbraw/zinc/39/41/19/727394119.db2.gz VENULBZSOODEGK-QMTHXVAHSA-N -1 0 325.792 2.607 10 0 EFAERM O=C([O-])c1cn(CCNC(=O)CCCc2ccc(C3CC3)cc2)cn1 ZINC000909909643 727395453 /nfs/dbraw/zinc/39/54/53/727395453.db2.gz KYIMUSLICRONEV-UHFFFAOYSA-N -1 0 341.411 2.598 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CC2CCC(OC)CC2)n1 ZINC000909953558 727395694 /nfs/dbraw/zinc/39/56/94/727395694.db2.gz KBIAUGFSYBIJJM-JXQTWKCFSA-N -1 0 337.420 2.843 10 0 EFAERM O=C([O-])[C@]1(F)CN(C(=O)c2cc(C(F)(F)F)ccn2)CC12CCC2 ZINC000909934812 727396559 /nfs/dbraw/zinc/39/65/59/727396559.db2.gz CFGQCUQNLICZRW-CQSZACIVSA-N -1 0 346.280 2.519 10 0 EFAERM O=C([O-])[C@@]1(F)CN(C(=O)c2ccnc(-c3ccco3)c2)CC12CCC2 ZINC000909934855 727396579 /nfs/dbraw/zinc/39/65/79/727396579.db2.gz DMLKSPZHZAFWJM-SFHVURJKSA-N -1 0 344.342 2.761 10 0 EFAERM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000909937209 727396884 /nfs/dbraw/zinc/39/68/84/727396884.db2.gz JPKJAZZPCGMEKU-ZQIUZPCESA-N -1 0 337.803 2.536 10 0 EFAERM O=C([O-])[C@@]1(F)CN(C(=O)c2cncc(C(F)(F)F)c2)CC12CCC2 ZINC000909940622 727397221 /nfs/dbraw/zinc/39/72/21/727397221.db2.gz LCPDRRVKGFAXBP-AWEZNQCLSA-N -1 0 346.280 2.519 10 0 EFAERM O=C([O-])[C@]1(F)CN(C(=O)[C@H]2CCC(=O)c3ccccc32)CC12CCC2 ZINC000909942308 727397322 /nfs/dbraw/zinc/39/73/22/727397322.db2.gz WAWSHPVKSFQTAM-IFXJQAMLSA-N -1 0 345.370 2.552 10 0 EFAERM Cc1cc(C(=O)N2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)nn1[C@@H](C)C1CC1 ZINC000909941871 727397390 /nfs/dbraw/zinc/39/73/90/727397390.db2.gz RYWCZOHDGHSNNW-SGTLLEGYSA-N -1 0 349.406 2.582 10 0 EFAERM CCCCn1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)c(C)n1 ZINC000909944123 727397522 /nfs/dbraw/zinc/39/75/22/727397522.db2.gz HTAQOMCJJCVRPO-INIZCTEOSA-N -1 0 345.399 2.556 10 0 EFAERM COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000909946510 727397551 /nfs/dbraw/zinc/39/75/51/727397551.db2.gz WKKUIMHRTJYFEZ-NJSLBKSFSA-N -1 0 347.386 2.604 10 0 EFAERM COc1cccc([C@H](NC(=O)c2cccc(C(C)C)n2)C(=O)[O-])c1 ZINC000909946329 727397559 /nfs/dbraw/zinc/39/75/59/727397559.db2.gz WDVMLWCQMCURIX-INIZCTEOSA-N -1 0 328.368 2.769 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(N(C)C)c2)n1 ZINC000909950418 727397936 /nfs/dbraw/zinc/39/79/36/727397936.db2.gz GWUWLRAXHTZWOH-AWEZNQCLSA-N -1 0 330.388 2.627 10 0 EFAERM CCC(CC)(CO)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000909950383 727397996 /nfs/dbraw/zinc/39/79/96/727397996.db2.gz GIYISWHIXXGJAN-OAHLLOKOSA-N -1 0 333.428 2.720 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@]23CCO[C@H]2CCCC3)n1 ZINC000909952289 727398490 /nfs/dbraw/zinc/39/84/90/727398490.db2.gz WLDCJXSXPSXPIU-IIYDPXPESA-N -1 0 335.404 2.597 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@@]23CCO[C@@H]2CCCC3)n1 ZINC000909952300 727398507 /nfs/dbraw/zinc/39/85/07/727398507.db2.gz WLDCJXSXPSXPIU-XNJGSVPQSA-N -1 0 335.404 2.597 10 0 EFAERM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(OC2CC2)c1F ZINC000909952461 727398528 /nfs/dbraw/zinc/39/85/28/727398528.db2.gz FLDFECAXIXNUCS-UONOGXRCSA-N -1 0 335.375 2.874 10 0 EFAERM CC[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000909952927 727398643 /nfs/dbraw/zinc/39/86/43/727398643.db2.gz BXCZYFSCLFKJJP-UISBYWKRSA-N -1 0 326.190 2.737 10 0 EFAERM O=C([O-])c1ccn(CCCC(=O)N2CCC[C@@H](c3ccccc3)C2)n1 ZINC000909923322 727398762 /nfs/dbraw/zinc/39/87/62/727398762.db2.gz MTNRWNSCRIZJKN-MRXNPFEDSA-N -1 0 341.411 2.768 10 0 EFAERM O=C([O-])c1ccn(CCCC(=O)N2CCC[C@H](c3ccccc3)C2)n1 ZINC000909923321 727398778 /nfs/dbraw/zinc/39/87/78/727398778.db2.gz MTNRWNSCRIZJKN-INIZCTEOSA-N -1 0 341.411 2.768 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)c2[nH]ncc2C(F)(F)F)[C@H]2CCCC[C@H]12 ZINC000909956496 727398808 /nfs/dbraw/zinc/39/88/08/727398808.db2.gz BOYJKOCSGUTWGS-KKZNHRDASA-N -1 0 345.321 2.534 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)COC2CCC(C)CC2)n1 ZINC000909957016 727398926 /nfs/dbraw/zinc/39/89/26/727398926.db2.gz XGTLBLJHOVPDNQ-RUXDESIVSA-N -1 0 337.420 2.843 10 0 EFAERM C[C@](O)(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000909959572 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PMUNZKPUZIAWIG-DARAHFNDSA-N -1 0 333.428 2.953 10 0 EFAERM C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584151 546493131 /nfs/dbraw/zinc/49/31/31/546493131.db2.gz WNFANYAWCABYAD-OAUYIBNBSA-N -1 0 329.440 2.969 10 0 EFAERM O=C([O-])c1cccc(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000655586996 546493728 /nfs/dbraw/zinc/49/37/28/546493728.db2.gz JCAHNIBKLDYIIA-VXGBXAGGSA-N -1 0 331.290 2.615 10 0 EFAERM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655596566 546497030 /nfs/dbraw/zinc/49/70/30/546497030.db2.gz HJJNPQAKRSXRPK-LRDDRELGSA-N -1 0 346.814 2.726 10 0 EFAERM C[C@H](CCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-])c1ccccc1 ZINC000655596153 546497092 /nfs/dbraw/zinc/49/70/92/546497092.db2.gz BMJLRBDWEDRBIB-RHSMWYFYSA-N -1 0 326.396 2.777 10 0 EFAERM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000655654431 546516617 /nfs/dbraw/zinc/51/66/17/546516617.db2.gz YMRZMJQQSPLTNT-MGCOHNPYSA-N -1 0 337.363 2.728 10 0 EFAERM COCC[C@@H](C)S(=O)(=O)[N-][C@@H](c1ccc(C)o1)C(F)(F)F ZINC000655659965 546518685 /nfs/dbraw/zinc/51/86/85/546518685.db2.gz FZYHKZAJDLKTIQ-KOLCDFICSA-N -1 0 329.340 2.536 10 0 EFAERM Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)noc2C)C(F)(F)F)o1 ZINC000655660742 546518871 /nfs/dbraw/zinc/51/88/71/546518871.db2.gz ROQGCEXHRHPIJJ-LLVKDONJSA-N -1 0 338.307 2.775 10 0 EFAERM Cc1ccc([C@H]([N-]S(=O)(=O)[C@H]2CCO[C@H](C)C2)C(F)(F)F)o1 ZINC000655660292 546519132 /nfs/dbraw/zinc/51/91/32/546519132.db2.gz SHYAKKMTPQYPSP-SCVCMEIPSA-N -1 0 341.351 2.678 10 0 EFAERM O=S(=O)(CCC1CCC1)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655662754 546519792 /nfs/dbraw/zinc/51/97/92/546519792.db2.gz XKNXRUYDJGWZQZ-NEPJUHHUSA-N -1 0 329.384 2.596 10 0 EFAERM Cc1csc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000655661764 546520071 /nfs/dbraw/zinc/52/00/71/546520071.db2.gz HZOQUVBIRWDWPH-UWVGGRQHSA-N -1 0 343.392 2.835 10 0 EFAERM C[C@@H](NC(=O)N[C@@H](C)c1cccc(O)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655866332 546616705 /nfs/dbraw/zinc/61/67/05/546616705.db2.gz AGEDFTUNGWGTII-IDTSFGKNSA-N -1 0 334.416 2.888 10 0 EFAERM CCO[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C ZINC000655868436 546617461 /nfs/dbraw/zinc/61/74/61/546617461.db2.gz FCKPMXDVINSLKA-XQLPTFJDSA-N -1 0 342.480 2.872 10 0 EFAERM CC[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccncc1 ZINC000655868025 546617769 /nfs/dbraw/zinc/61/77/69/546617769.db2.gz BBKUJCPRDNQAIJ-BEAPCOKYSA-N -1 0 333.432 2.967 10 0 EFAERM CCC1(O)CCC(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655872503 546620168 /nfs/dbraw/zinc/62/01/68/546620168.db2.gz AZQUAXLEVUJGCI-ASSKVSBWSA-N -1 0 340.464 2.505 10 0 EFAERM CC(C)[C@H](CNC(=O)NCc1nc2ccccc2n1C1CC1)C(=O)[O-] ZINC000655873606 546620208 /nfs/dbraw/zinc/62/02/08/546620208.db2.gz IRJIKECMGOCRAE-ZDUSSCGKSA-N -1 0 344.415 2.527 10 0 EFAERM C[C@H](NC(=O)NCc1ccc(Cl)cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655873344 546620227 /nfs/dbraw/zinc/62/02/27/546620227.db2.gz HERSSLVCLCZMHJ-TVYUQYBPSA-N -1 0 339.823 2.670 10 0 EFAERM C[C@H](CNC(=O)N[C@H]1CCCOc2c(Cl)cccc21)C(=O)[O-] ZINC000655872788 546620448 /nfs/dbraw/zinc/62/04/48/546620448.db2.gz CTVULBBCVBQZNX-SKDRFNHKSA-N -1 0 326.780 2.574 10 0 EFAERM CCc1ccnc(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655874979 546621239 /nfs/dbraw/zinc/62/12/39/546621239.db2.gz CVSLYVDBIZEGFQ-BYCMXARLSA-N -1 0 333.432 2.579 10 0 EFAERM C[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000655873995 546621260 /nfs/dbraw/zinc/62/12/60/546621260.db2.gz UWNCNCZGOURTOZ-QWHCGFSZSA-N -1 0 327.384 2.830 10 0 EFAERM CCc1ccnc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655874980 546621272 /nfs/dbraw/zinc/62/12/72/546621272.db2.gz CVSLYVDBIZEGFQ-TUKIKUTGSA-N -1 0 333.432 2.579 10 0 EFAERM C[C@@H](NC(=O)N[C@@H]1c2ccccc2O[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879314 546623424 /nfs/dbraw/zinc/62/34/24/546623424.db2.gz OXUDUCSIPUHQQB-GTJDQOHESA-N -1 0 346.427 2.943 10 0 EFAERM C[C@@H](CNC(=O)NC1(c2ccc(OC(F)(F)F)cc2)CC1)C(=O)[O-] ZINC000655882005 546624294 /nfs/dbraw/zinc/62/42/94/546624294.db2.gz SRGIYUBOAXYCHP-VIFPVBQESA-N -1 0 346.305 2.594 10 0 EFAERM CC(C)[C@@H](CNC(=O)N1CCC[C@H]1Cc1cccc(F)c1)C(=O)[O-] ZINC000655890359 546626832 /nfs/dbraw/zinc/62/68/32/546626832.db2.gz GKPGWJPKLYUPPR-JKSUJKDBSA-N -1 0 336.407 2.899 10 0 EFAERM CC(C)[C@@H](CNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C(=O)[O-] ZINC000655890426 546626866 /nfs/dbraw/zinc/62/68/66/546626866.db2.gz JCRSOJNAFRAMQW-CYBMUJFWSA-N -1 0 347.390 2.732 10 0 EFAERM CC(C)[C@@H](CNC(=O)N1CCc2[nH]c3ccccc3c2C1)C(=O)[O-] ZINC000655890300 546626998 /nfs/dbraw/zinc/62/69/98/546626998.db2.gz DWWDDBXPHLWHLT-CYBMUJFWSA-N -1 0 329.400 2.592 10 0 EFAERM C[C@H](NC(=O)N1CCCc2occc2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900516 546629553 /nfs/dbraw/zinc/62/95/53/546629553.db2.gz UKTVRAADZDOGGK-FPMFFAJLSA-N -1 0 334.416 2.873 10 0 EFAERM C[C@H](NC(=O)N1CCC(F)(F)[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655901081 546630507 /nfs/dbraw/zinc/63/05/07/546630507.db2.gz YZHCMPRZBGECJL-NOOOWODRSA-N -1 0 332.391 2.809 10 0 EFAERM C[C@@H](NC(=O)N1CCSC[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904642 546631256 /nfs/dbraw/zinc/63/12/56/546631256.db2.gz WXRMLVIIGBEMQM-FVCCEPFGSA-N -1 0 328.478 2.516 10 0 EFAERM C[C@@H](NC(=O)N1CCO[C@@H](C(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903631 546631385 /nfs/dbraw/zinc/63/13/85/546631385.db2.gz NEYCEKFKQUJBRA-XJFOESAGSA-N -1 0 340.464 2.578 10 0 EFAERM C[C@H](NC(=O)N1CC[C@@H](c2ccco2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906000 546631478 /nfs/dbraw/zinc/63/14/78/546631478.db2.gz HPPLXOXMEPGPFG-RFQIPJPRSA-N -1 0 334.416 2.914 10 0 EFAERM C[C@H](NC(=O)N1CCSC[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904643 546631483 /nfs/dbraw/zinc/63/14/83/546631483.db2.gz WXRMLVIIGBEMQM-MROQNXINSA-N -1 0 328.478 2.516 10 0 EFAERM CC1(C)CCCN(c2ccnc(N3CCC[C@@H](CC(=O)[O-])C3)n2)C1 ZINC000656092510 546676530 /nfs/dbraw/zinc/67/65/30/546676530.db2.gz CSGRVMMBOWCNRY-AWEZNQCLSA-N -1 0 332.448 2.794 10 0 EFAERM Cc1cc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)nc(-c2ccncc2)n1 ZINC000656093750 546676720 /nfs/dbraw/zinc/67/67/20/546676720.db2.gz YVDJMFXPBPWCIY-AEGPPILISA-N -1 0 340.427 2.816 10 0 EFAERM O=C([O-])[C@H](Cc1ccncc1)Nc1cncc(OCC2CCCC2)n1 ZINC000656092877 546677024 /nfs/dbraw/zinc/67/70/24/546677024.db2.gz RVUPARBLLQPACS-HNNXBMFYSA-N -1 0 342.399 2.548 10 0 EFAERM O=C([O-])[C@@H](Cc1ccncc1)Nc1cncc(OC2CCCCC2)n1 ZINC000656091920 546677197 /nfs/dbraw/zinc/67/71/97/546677197.db2.gz KANPXQSWVHKLPE-OAHLLOKOSA-N -1 0 342.399 2.691 10 0 EFAERM Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])ccc1Cl ZINC000656159058 546703142 /nfs/dbraw/zinc/70/31/42/546703142.db2.gz KTPLPQNGVLMZFS-ZKYQVNSYSA-N -1 0 343.832 2.522 10 0 EFAERM C[C@H](C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000656167175 546706007 /nfs/dbraw/zinc/70/60/07/546706007.db2.gz BRHZRFDMQZJQFC-PWSUYJOCSA-N -1 0 347.383 2.619 10 0 EFAERM C[C@H](C[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000656167481 546706122 /nfs/dbraw/zinc/70/61/22/546706122.db2.gz DJCCYVADFGXIFR-PWSUYJOCSA-N -1 0 347.383 2.619 10 0 EFAERM C[C@@H](C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000656168823 546706159 /nfs/dbraw/zinc/70/61/59/546706159.db2.gz JHNGQGSZWSECIP-WCQYABFASA-N -1 0 345.848 2.994 10 0 EFAERM CCc1ccc(S(=O)(=O)N2CCC(C[C@@H](C)C(=O)[O-])CC2)s1 ZINC000656167715 546706164 /nfs/dbraw/zinc/70/61/64/546706164.db2.gz WZEQSGVPEVTZQX-LLVKDONJSA-N -1 0 345.486 2.822 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[C@H](C)C(=O)[O-])s1 ZINC000656168219 546706200 /nfs/dbraw/zinc/70/62/00/546706200.db2.gz GEDUUOXXBOHVEE-JQWIXIFHSA-N -1 0 331.459 2.711 10 0 EFAERM Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2C[C@H](C)C(=O)[O-])c1 ZINC000656168568 546706300 /nfs/dbraw/zinc/70/63/00/546706300.db2.gz ICXDOZDRCCFONK-UONOGXRCSA-N -1 0 325.430 2.649 10 0 EFAERM C[C@@H](C[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1F)C(=O)[O-] ZINC000656169495 546707174 /nfs/dbraw/zinc/70/71/74/546707174.db2.gz LYPMHFFEDHLAND-JSGCOSHPSA-N -1 0 343.420 2.621 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[C@H](C)C(=O)[O-])cc1F ZINC000656171831 546707765 /nfs/dbraw/zinc/70/77/65/546707765.db2.gz ZFQMQCFDRYYGAG-QWHCGFSZSA-N -1 0 343.420 2.788 10 0 EFAERM Cc1cccc(CS(=O)(=O)N2CCCC[C@@H]2C[C@H](C)C(=O)[O-])c1 ZINC000656173210 546708914 /nfs/dbraw/zinc/70/89/14/546708914.db2.gz GVQNOHKHHFGOMZ-GOEBONIOSA-N -1 0 339.457 2.790 10 0 EFAERM CCc1ccccc1S(=O)(=O)N1CCCC[C@@H]1C[C@H](C)C(=O)[O-] ZINC000656173312 546708928 /nfs/dbraw/zinc/70/89/28/546708928.db2.gz HVQBPZRVFFLWCZ-DZGCQCFKSA-N -1 0 339.457 2.903 10 0 EFAERM Cc1ccsc1S(=O)(=O)N1CCCC[C@H]1C[C@H](C)C(=O)[O-] ZINC000656174937 546709295 /nfs/dbraw/zinc/70/92/95/546709295.db2.gz ZOKNIHIHZVVYMY-RYUDHWBXSA-N -1 0 331.459 2.711 10 0 EFAERM Cc1csc(S(=O)(=O)N2CCCC[C@@H]2C[C@H](C)C(=O)[O-])c1 ZINC000656174332 546709351 /nfs/dbraw/zinc/70/93/51/546709351.db2.gz RAJVXOYYNICONE-NWDGAFQWSA-N -1 0 331.459 2.711 10 0 EFAERM 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VAXLLCYZNHOJMU-AWEZNQCLSA-N -1 0 340.404 2.970 10 0 EFAERM O=C([O-])C1CC(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)C1 ZINC000683337047 549884932 /nfs/dbraw/zinc/88/49/32/549884932.db2.gz UCSCBNADIPIOCX-UHFFFAOYSA-N -1 0 344.342 2.740 10 0 EFAERM Cc1cc(C)n(-c2ccc(NC(=O)C3CC(C(=O)[O-])C3)cc2F)n1 ZINC000683335972 549884981 /nfs/dbraw/zinc/88/49/81/549884981.db2.gz ILMHDPBUACTYSY-UHFFFAOYSA-N -1 0 331.347 2.678 10 0 EFAERM O=C([O-])C1CC(C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 ZINC000683337368 549885084 /nfs/dbraw/zinc/88/50/84/549885084.db2.gz HWRWOEYMJSZQOG-UHFFFAOYSA-N -1 0 340.379 2.752 10 0 EFAERM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C1CC(C(=O)[O-])C1 ZINC000683343055 549885900 /nfs/dbraw/zinc/88/59/00/549885900.db2.gz ZAVVKQNBETUGJN-OIKLOGQESA-N -1 0 329.318 2.863 10 0 EFAERM Cc1[nH]nc(C(=O)N(C)Cc2ccc(Br)cc2C)c1[O-] ZINC000683421924 549897706 /nfs/dbraw/zinc/89/77/06/549897706.db2.gz YNWNMIBNYSHJNB-UHFFFAOYSA-N -1 0 338.205 2.767 10 0 EFAERM CSc1ccc(S(=O)(=O)N2CCC(C)(C)C[C@@H]2C(=O)[O-])cc1 ZINC000683433352 549899285 /nfs/dbraw/zinc/89/92/85/549899285.db2.gz AFGYIQZLJKPGST-CYBMUJFWSA-N -1 0 343.470 2.672 10 0 EFAERM CC(C)[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)N1CCCC1 ZINC000683622025 549924867 /nfs/dbraw/zinc/92/48/67/549924867.db2.gz LXWGQLAMZOKYON-ZDUSSCGKSA-N -1 0 342.798 2.562 10 0 EFAERM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H](C(F)(F)F)O1 ZINC000683623305 549925223 /nfs/dbraw/zinc/92/52/23/549925223.db2.gz IRHYPQHMZFNJLD-LHLIQPBNSA-N -1 0 341.688 2.977 10 0 EFAERM Cc1ccc2c(O)c(C(=O)N[C@@H]3CCc4cc(O)ccc4C3)cnc2n1 ZINC000683691811 549931933 /nfs/dbraw/zinc/93/19/33/549931933.db2.gz AJXZQDIKHWCAEC-CQSZACIVSA-N -1 0 349.390 2.637 10 0 EFAERM O=C([O-])[C@]1(CC(=O)NCc2cc(F)c(Cl)cc2F)CCSC1 ZINC000683921022 549964418 /nfs/dbraw/zinc/96/44/18/549964418.db2.gz XHCPNYHOYYCCSY-AWEZNQCLSA-N -1 0 349.786 2.832 10 0 EFAERM COc1ccc([C@@H](NC(=O)Nc2cc(C)ccc2F)C(=O)[O-])cc1O ZINC000683921271 549964237 /nfs/dbraw/zinc/96/42/37/549964237.db2.gz QXXURNVAUQMKEF-OAHLLOKOSA-N -1 0 348.330 2.796 10 0 EFAERM Cn1ccc([C@H](NC(=O)Nc2ccc(Cl)cc2Cl)C(=O)[O-])n1 ZINC000683920464 549964297 /nfs/dbraw/zinc/96/42/97/549964297.db2.gz AVLKNHSZNQJDFP-NSHDSACASA-N -1 0 343.170 2.674 10 0 EFAERM COc1ccc([C@H](NC(=O)Nc2ccc(C)nc2)C(=O)[O-])cc1Cl ZINC000683921868 549964301 /nfs/dbraw/zinc/96/43/01/549964301.db2.gz FYKQDXOHZHTZKU-AWEZNQCLSA-N -1 0 349.774 2.999 10 0 EFAERM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1cc(F)c(Cl)cc1F ZINC000683921787 549964543 /nfs/dbraw/zinc/96/45/43/549964543.db2.gz BHKTYKLJCHWIGQ-UWVGGRQHSA-N -1 0 329.730 2.901 10 0 EFAERM O=C(c1ccccc1O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684021423 549978796 /nfs/dbraw/zinc/97/87/96/549978796.db2.gz WRTBWFZVIPYBIW-UHFFFAOYSA-N -1 0 335.407 2.832 10 0 EFAERM COCC1(C(=O)[O-])CCN(C(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000684539165 550055324 /nfs/dbraw/zinc/05/53/24/550055324.db2.gz CPAAUCZBZIXSTP-DZGCQCFKSA-N -1 0 349.427 2.675 10 0 EFAERM O=C([O-])[C@]1(CC(=O)N[C@@H]2CCCc3ccc(F)cc32)CCSC1 ZINC000684559382 550058784 /nfs/dbraw/zinc/05/87/84/550058784.db2.gz WCJXOOIUDASZMF-PBHICJAKSA-N -1 0 337.416 2.917 10 0 EFAERM O=S(=O)([N-]c1cc([C@H]2CCCO2)[nH]n1)c1ccc(Cl)cc1 ZINC000684608753 550066227 /nfs/dbraw/zinc/06/62/27/550066227.db2.gz JHDYVYNQWRWIKD-GFCCVEGCSA-N -1 0 327.793 2.715 10 0 EFAERM C/C=C\C[C@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000684711830 550079664 /nfs/dbraw/zinc/07/96/64/550079664.db2.gz PRGVALKCXUWDSS-ZRMMWKCHSA-N -1 0 344.333 2.967 10 0 EFAERM COc1ccc(C)cc1CCNC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000684715541 550080675 /nfs/dbraw/zinc/08/06/75/550080675.db2.gz KDPDOTGGAFDJLD-UHFFFAOYSA-N -1 0 348.443 2.975 10 0 EFAERM C/C=C/C[C@H](NC(=O)NCCCN(CC)c1ccccc1)C(=O)[O-] ZINC000684716341 550080686 /nfs/dbraw/zinc/08/06/86/550080686.db2.gz QGARIIJJEIXIJO-WMHVBEDNSA-N -1 0 333.432 2.622 10 0 EFAERM CC[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1ccc(OC)c(F)c1)C1CC1 ZINC000684718289 550081257 /nfs/dbraw/zinc/08/12/57/550081257.db2.gz ZDGOGYXKFOCLRN-IINYFYTJSA-N -1 0 338.379 2.933 10 0 EFAERM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000684720253 550081855 /nfs/dbraw/zinc/08/18/55/550081855.db2.gz IHMAFIGGACMDJZ-GDBMZVCRSA-N -1 0 335.448 2.652 10 0 EFAERM Cc1ccc(OCCNC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC000684722178 550082647 /nfs/dbraw/zinc/08/26/47/550082647.db2.gz GFKRCUFXDQWWBX-UHFFFAOYSA-N -1 0 334.416 2.803 10 0 EFAERM C[C@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000684722875 550082703 /nfs/dbraw/zinc/08/27/03/550082703.db2.gz LAUVOQOFPZEFMI-WCQYABFASA-N -1 0 334.372 2.515 10 0 EFAERM C[C@@H]1C[C@H]1CNC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000684723107 550082719 /nfs/dbraw/zinc/08/27/19/550082719.db2.gz RRJMJIAZJBHDPV-PVUWLOKVSA-N -1 0 326.396 2.791 10 0 EFAERM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000684722923 550082868 /nfs/dbraw/zinc/08/28/68/550082868.db2.gz QFDSMGMBWLKLOJ-ZNMIVQPWSA-N -1 0 328.453 2.722 10 0 EFAERM C/C=C\C[C@@H](NC(=O)NCc1ccccc1N1CCCC1)C(=O)[O-] ZINC000684725256 550083144 /nfs/dbraw/zinc/08/31/44/550083144.db2.gz INGXWYVOXLMHCS-MPNWYJEXSA-N -1 0 331.416 2.505 10 0 EFAERM O=C([O-])[C@@H]1CCCCCN1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000684723804 550083218 /nfs/dbraw/zinc/08/32/18/550083218.db2.gz AIQDYWLYQVFSFX-KRWDZBQOSA-N -1 0 345.443 2.694 10 0 EFAERM O=C([O-])CN(C(=O)NCCc1ccccc1C(F)(F)F)C1CCC1 ZINC000684724119 550083276 /nfs/dbraw/zinc/08/32/76/550083276.db2.gz GXYMHFUCYUMQDA-UHFFFAOYSA-N -1 0 344.333 2.897 10 0 EFAERM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)NC[C@H]1CCCCO1 ZINC000684726454 550083515 /nfs/dbraw/zinc/08/35/15/550083515.db2.gz RBJYXJHYWWCWND-XHSDSOJGSA-N -1 0 338.448 2.621 10 0 EFAERM COc1ccccc1C(C)(C)CNC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000684727922 550083918 /nfs/dbraw/zinc/08/39/18/550083918.db2.gz OWCQHYXPZZILAI-AWEZNQCLSA-N -1 0 334.416 2.525 10 0 EFAERM Cc1ccc(C(C)(C)CNC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000684730546 550084372 /nfs/dbraw/zinc/08/43/72/550084372.db2.gz PWPOPYFIDGHQTR-QGZVFWFLSA-N -1 0 336.457 2.532 10 0 EFAERM Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000684732421 550084854 /nfs/dbraw/zinc/08/48/54/550084854.db2.gz GZDQAUOPQFJNRV-SKDRFNHKSA-N -1 0 325.409 2.931 10 0 EFAERM CCOc1cccc(CCNC(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000684732357 550084874 /nfs/dbraw/zinc/08/48/74/550084874.db2.gz NVPVIFVLHRQNTH-INIZCTEOSA-N -1 0 334.416 2.667 10 0 EFAERM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000684732546 550084892 /nfs/dbraw/zinc/08/48/92/550084892.db2.gz BKWCWPLXUSGVGB-OAHLLOKOSA-N -1 0 336.407 2.998 10 0 EFAERM Cc1cnc([C@H](C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)s1 ZINC000684741368 550087462 /nfs/dbraw/zinc/08/74/62/550087462.db2.gz WTTTXIFDMWPJLP-LLVKDONJSA-N -1 0 339.461 2.984 10 0 EFAERM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000684744195 550087808 /nfs/dbraw/zinc/08/78/08/550087808.db2.gz MEFXSGJVPQFNFN-RCBQFDQVSA-N -1 0 340.383 2.589 10 0 EFAERM CCN(CC(=O)[O-])C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000684744650 550087939 /nfs/dbraw/zinc/08/79/39/550087939.db2.gz KMGKAOZAXLRHTO-UHFFFAOYSA-N -1 0 326.352 2.856 10 0 EFAERM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC000684745211 550088024 /nfs/dbraw/zinc/08/80/24/550088024.db2.gz MGMJSUJMEUWJBW-NWDGAFQWSA-N -1 0 342.342 2.539 10 0 EFAERM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000684744291 550088032 /nfs/dbraw/zinc/08/80/32/550088032.db2.gz ZRVXAVJCMCQJJC-QBPKDAKJSA-N -1 0 330.428 2.713 10 0 EFAERM O=C([O-])[C@@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1cccc(O)c1 ZINC000684747306 550088344 /nfs/dbraw/zinc/08/83/44/550088344.db2.gz GJFOTOOUGJEHEW-INIZCTEOSA-N -1 0 342.351 2.665 10 0 EFAERM C/C=C\C[C@H](NC(=O)Nc1ccc2c(cnn2C(F)F)c1)C(=O)[O-] ZINC000684749832 550088933 /nfs/dbraw/zinc/08/89/33/550088933.db2.gz SPJLWUMWKQYJLC-QUCGXOGASA-N -1 0 338.314 2.972 10 0 EFAERM O=C([O-])C1CC(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000685023417 550127915 /nfs/dbraw/zinc/12/79/15/550127915.db2.gz DHMSMNQPDKCHRZ-UHFFFAOYSA-N -1 0 328.195 2.989 10 0 EFAERM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1c([O-])cc(F)cc1F ZINC000685892961 550192540 /nfs/dbraw/zinc/19/25/40/550192540.db2.gz KHDFXKGXBNIHLB-UGSOOPFHSA-N -1 0 333.334 2.566 10 0 EFAERM CC[C@]1(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])OCCc2ccccc21 ZINC000685896584 550192658 /nfs/dbraw/zinc/19/26/58/550192658.db2.gz AQOGSINZZKHVFU-RZQQEMMASA-N -1 0 343.423 2.648 10 0 EFAERM O=C([O-])c1ccc2c(c1)OCCN(C(=O)OCc1ccccc1)C2 ZINC000685950085 550198086 /nfs/dbraw/zinc/19/80/86/550198086.db2.gz HAGGSLPGDDJUNH-UHFFFAOYSA-N -1 0 327.336 2.916 10 0 EFAERM O=C([O-])c1cccc2c1OCCN(C(=O)OCc1ccccc1)C2 ZINC000725259792 550198666 /nfs/dbraw/zinc/19/86/66/550198666.db2.gz JFLDRAZHDXYHRI-UHFFFAOYSA-N -1 0 327.336 2.916 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]([C@H]2CCCO2)C1 ZINC000675070140 564112573 /nfs/dbraw/zinc/11/25/73/564112573.db2.gz QCZADIOZHQDWTK-BZUAXINKSA-N -1 0 333.384 2.667 10 0 EFAERM COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cc(OC)c1O ZINC000095617907 571796556 /nfs/dbraw/zinc/79/65/56/571796556.db2.gz RGFLTMLKBQWTSH-BQYQJAHWSA-N -1 0 343.335 2.760 10 0 endogenous,in-man EFAERM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)n2cccc2)c(F)cc1F ZINC000754792337 575491416 /nfs/dbraw/zinc/49/14/16/575491416.db2.gz NLOIEKGWIQLLSX-NSHDSACASA-N -1 0 342.367 2.531 10 0 EFAERM C[C@H](NC(=O)c1cccc(I)c1[O-])C1CC1 ZINC000754880899 575508391 /nfs/dbraw/zinc/50/83/91/575508391.db2.gz BBKVRUIGFZUYCE-ZETCQYMHSA-N -1 0 331.153 2.525 10 0 EFAERM O=C([N-]OCc1ccc(F)cc1)C(=O)Nc1ccc(C2CC2)cc1 ZINC000755561560 575602348 /nfs/dbraw/zinc/60/23/48/575602348.db2.gz VCJMFTPIPCQZTC-UHFFFAOYSA-N -1 0 328.343 2.890 10 0 EFAERM COc1ccc(F)c(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000755695959 575619718 /nfs/dbraw/zinc/61/97/18/575619718.db2.gz VJQUOXZCNIVUGZ-UHFFFAOYSA-N -1 0 331.419 2.705 10 0 EFAERM CC(=O)C(C)(C)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000755811678 575640430 /nfs/dbraw/zinc/64/04/30/575640430.db2.gz MGKTYXRWNOLIJB-UHFFFAOYSA-N -1 0 345.848 2.681 10 0 EFAERM Cc1ncc(S(=O)(=O)[N-]C(=O)CC/C=C/c2ccccc2)s1 ZINC000755874085 575648240 /nfs/dbraw/zinc/64/82/40/575648240.db2.gz BIBMAXMUBNDCRX-WEVVVXLNSA-N -1 0 336.438 2.750 10 0 EFAERM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2c(F)cccc2F)c(C)s1 ZINC000756251453 575707549 /nfs/dbraw/zinc/70/75/49/575707549.db2.gz AYCVBFWNXJASFL-UHFFFAOYSA-N -1 0 345.392 2.691 10 0 EFAERM CCCc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000756589446 575766105 /nfs/dbraw/zinc/76/61/05/575766105.db2.gz RZNVFEJYDMQGGT-UHFFFAOYSA-N -1 0 338.816 2.806 10 0 EFAERM Nc1ccc(C2(C(=O)[O-])CC(NC(=O)OCc3ccccc3)C2)cc1 ZINC000757176707 575831264 /nfs/dbraw/zinc/83/12/64/575831264.db2.gz GCALBZUYROCDQH-UHFFFAOYSA-N -1 0 340.379 2.680 10 0 EFAERM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2cc(F)ccc2F)C1 ZINC000757184082 575831412 /nfs/dbraw/zinc/83/14/12/575831412.db2.gz IMDWWFSQZMVRFT-VXGBXAGGSA-N -1 0 327.327 3.000 10 0 EFAERM O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)C[C@]12CCCSC2 ZINC000757184064 575831436 /nfs/dbraw/zinc/83/14/36/575831436.db2.gz 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576010302 /nfs/dbraw/zinc/01/03/02/576010302.db2.gz PTSYDFLDGZQMKL-LLVKDONJSA-N -1 0 339.438 2.506 10 0 EFAERM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1OC ZINC000760359599 576011527 /nfs/dbraw/zinc/01/15/27/576011527.db2.gz WCFOULGTWQGJHJ-GFCCVEGCSA-N -1 0 327.446 2.714 10 0 EFAERM CCCc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2OC)cc1 ZINC000760362737 576012562 /nfs/dbraw/zinc/01/25/62/576012562.db2.gz OQNVIPWILBXGTB-UHFFFAOYSA-N -1 0 347.436 2.908 10 0 EFAERM Cc1nscc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000761107583 576114488 /nfs/dbraw/zinc/11/44/88/576114488.db2.gz BNKFJGVFDSVUHU-UHFFFAOYSA-N -1 0 330.818 2.532 10 0 EFAERM CCc1oc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)cc1C ZINC000761234913 576134379 /nfs/dbraw/zinc/13/43/79/576134379.db2.gz MJUQCPJKLPVFJX-UHFFFAOYSA-N -1 0 325.361 2.717 10 0 EFAERM C[C@H]1C[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761263094 576137254 /nfs/dbraw/zinc/13/72/54/576137254.db2.gz BOGDWBKQYVQANN-POYBYMJQSA-N -1 0 338.212 2.626 10 0 EFAERM 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577257077 /nfs/dbraw/zinc/25/70/77/577257077.db2.gz XAUZPZAGGJZTSN-UHFFFAOYSA-N -1 0 331.368 2.809 10 0 EFAERM CCc1cc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)oc1CC ZINC000768169547 577259021 /nfs/dbraw/zinc/25/90/21/577259021.db2.gz JSQOOQQQLCZUKJ-UHFFFAOYSA-N -1 0 335.425 2.707 10 0 EFAERM CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)o1 ZINC000768174852 577259240 /nfs/dbraw/zinc/25/92/40/577259240.db2.gz GDOWJWOFEGFEKH-UHFFFAOYSA-N -1 0 325.361 2.717 10 0 EFAERM CCc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2OC)oc1CC ZINC000768176446 577259380 /nfs/dbraw/zinc/25/93/80/577259380.db2.gz QEYZYJYEAOPLLN-UHFFFAOYSA-N -1 0 337.397 2.532 10 0 EFAERM O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1cc(=O)c2ccccc2[n-]1 ZINC000768405554 577271852 /nfs/dbraw/zinc/27/18/52/577271852.db2.gz RRRGVQUILZWJJF-UHFFFAOYSA-N -1 0 336.376 2.945 10 0 EFAERM CCOc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@H]1C ZINC000769309217 577351059 /nfs/dbraw/zinc/35/10/59/577351059.db2.gz IXSMUDOZKQPRNC-OLZOCXBDSA-N -1 0 325.430 2.717 10 0 EFAERM 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O=C([N-]S(=O)(=O)c1cncc(Br)c1)[C@H]1CC=CCC1 ZINC000049135813 723089997 /nfs/dbraw/zinc/08/99/97/723089997.db2.gz VNARYGMDDNPNEC-VIFPVBQESA-N -1 0 345.218 2.846 10 0 EFAERM Cc1nc(CC(F)(F)F)sc1CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000896028586 723104779 /nfs/dbraw/zinc/10/47/79/723104779.db2.gz ZCAQDVTXZBROQC-GFCCVEGCSA-N -1 0 338.351 2.673 10 0 EFAERM Cc1ccccc1SCC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262101166 723166286 /nfs/dbraw/zinc/16/62/86/723166286.db2.gz HNGWBOGJOQKMGG-CYBMUJFWSA-N -1 0 339.457 2.862 10 0 EFAERM O=C([O-])c1ccc(OCCNC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000909441276 723236402 /nfs/dbraw/zinc/23/64/02/723236402.db2.gz WVMRNGRLBWCMHH-INIZCTEOSA-N -1 0 347.411 2.619 10 0 EFAERM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000262116917 723262193 /nfs/dbraw/zinc/26/21/93/723262193.db2.gz KROZGXRZZTZNNQ-GDLCADMTSA-N -1 0 345.424 2.996 10 0 EFAERM C[C@H](CCC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC000909447371 723324423 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CC(C)(C)OCC[C@@H](NC(=O)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000262141017 723381693 /nfs/dbraw/zinc/38/16/93/723381693.db2.gz ILSPNUWLUPHACR-GFCCVEGCSA-N -1 0 345.342 2.676 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000909450906 723381805 /nfs/dbraw/zinc/38/18/05/723381805.db2.gz ZELDKMBTNOERCT-VIFPVBQESA-N -1 0 341.820 2.629 10 0 EFAERM C[C@H](CCC(=O)[O-])NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000909451665 723385015 /nfs/dbraw/zinc/38/50/15/723385015.db2.gz UUGPIAAMGAGOGY-PRHODGIISA-N -1 0 334.199 2.786 10 0 EFAERM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@]13CCO[C@@H]1CCCC3)CC2 ZINC000909451260 723389211 /nfs/dbraw/zinc/38/92/11/723389211.db2.gz QKYQKGMUISAPPT-APWZRJJASA-N -1 0 329.396 2.619 10 0 EFAERM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000262144748 723391268 /nfs/dbraw/zinc/39/12/68/723391268.db2.gz OVTVHZFRGDJOAW-CVJICSNFSA-N -1 0 337.244 2.795 10 0 EFAERM C[C@@]1(C(=O)NCCc2cccc(C(=O)[O-])c2)OCCc2ccccc21 ZINC000909462933 723428638 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CC(=O)Nc1ccc(O)c(C(=O)NCCc2cc(C)cc(C)c2)c1 ZINC000131071960 472647194 /nfs/dbraw/zinc/64/71/94/472647194.db2.gz FVBZVMYJDFACEP-UHFFFAOYSA-N -1 0 326.396 2.940 10 0 EFAERM COc1c(C)cnc(CN(C)C(=O)c2c([O-])cc(F)cc2F)c1C ZINC000060471742 472660073 /nfs/dbraw/zinc/66/00/73/472660073.db2.gz JUWLMYIKJQQKBN-UHFFFAOYSA-N -1 0 336.338 2.963 10 0 EFAERM CCc1ccc(S(=O)(=O)N[C@H](C)c2nc(C(=O)[O-])cs2)s1 ZINC000090940949 472668588 /nfs/dbraw/zinc/66/85/88/472668588.db2.gz VRERMLRAKKLAQR-SSDOTTSWSA-N -1 0 346.455 2.505 10 0 EFAERM CSc1ccc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)cc1 ZINC000047328688 472690629 /nfs/dbraw/zinc/69/06/29/472690629.db2.gz FLLYOMZZVGLXQQ-UHFFFAOYSA-N -1 0 331.850 2.905 10 0 EFAERM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)c1 ZINC000047367423 472697861 /nfs/dbraw/zinc/69/78/61/472697861.db2.gz TXRVPURSEUKJAM-UHFFFAOYSA-N -1 0 330.409 2.688 10 0 EFAERM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2CCC(C)(C)CC2)cc1 ZINC000131907977 472700792 /nfs/dbraw/zinc/70/07/92/472700792.db2.gz ARZJGNFJSZOWRC-UHFFFAOYSA-N -1 0 337.441 2.911 10 0 EFAERM Cc1cc(CCNC(=O)c2s[n-]c(=O)c2Cl)cc(C)c1O ZINC000622549189 480001003 /nfs/dbraw/zinc/00/10/03/480001003.db2.gz UNGZXZIJNGKIGU-UHFFFAOYSA-N -1 0 326.805 2.797 10 0 EFAERM C[C@H](NC(=O)C[C@]1(C(=O)[O-])CCSC1)c1ccc(F)cc1F ZINC000622600553 480005609 /nfs/dbraw/zinc/00/56/09/480005609.db2.gz IEFFCEIHCOCIOH-BJOHPYRUSA-N -1 0 329.368 2.740 10 0 EFAERM O=C([O-])[C@H]1CCN(C(=O)c2cc3cccc(Br)c3o2)C1 ZINC000062119332 472729657 /nfs/dbraw/zinc/72/96/57/472729657.db2.gz KCXZHHBHWSTWJX-VIFPVBQESA-N -1 0 338.157 2.742 10 0 EFAERM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1cc2sccc2s1 ZINC000622609527 480007005 /nfs/dbraw/zinc/00/70/05/480007005.db2.gz BINPAZZNBGAOBX-ZDUSSCGKSA-N -1 0 341.421 2.995 10 0 EFAERM O=C(c1n[nH]c(=O)[n-]1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000091309442 472756251 /nfs/dbraw/zinc/75/62/51/472756251.db2.gz YVPUJVFATQFHSG-UHFFFAOYSA-N -1 0 340.305 2.549 10 0 EFAERM Cc1nc(C(C)C)sc1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000622610061 480008016 /nfs/dbraw/zinc/00/80/16/480008016.db2.gz OOPFTOKGIOGYAU-LBPRGKRZSA-N -1 0 342.428 2.607 10 0 EFAERM O=C(NCc1cccc(C(F)(F)F)n1)c1s[n-]c(=O)c1Cl ZINC000622632732 480010303 /nfs/dbraw/zinc/01/03/03/480010303.db2.gz IMBLFTSJPVDIED-UHFFFAOYSA-N -1 0 337.710 2.846 10 0 EFAERM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000105882015 472794394 /nfs/dbraw/zinc/79/43/94/472794394.db2.gz PYVUZIWTQUQBAE-CYBMUJFWSA-N -1 0 335.354 2.998 10 0 EFAERM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000105882012 472794465 /nfs/dbraw/zinc/79/44/65/472794465.db2.gz PYVUZIWTQUQBAE-ZDUSSCGKSA-N -1 0 335.354 2.998 10 0 EFAERM CN(C)c1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cn1 ZINC000133988352 472861536 /nfs/dbraw/zinc/86/15/36/472861536.db2.gz VZTSMFQMWSIQCN-UHFFFAOYSA-N -1 0 340.474 2.702 10 0 EFAERM CCOc1cc(F)ccc1NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000064611094 472866294 /nfs/dbraw/zinc/86/62/94/472866294.db2.gz GDURGYCBIJEDDN-HNNXBMFYSA-N -1 0 327.377 2.761 10 0 EFAERM C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1nnc2n1CCCC2 ZINC000134052119 472868755 /nfs/dbraw/zinc/86/87/55/472868755.db2.gz SSUPYBBRMMFFOX-VIFPVBQESA-N -1 0 343.412 2.535 10 0 EFAERM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1c([O-])cc(F)cc1F ZINC000134082669 472872983 /nfs/dbraw/zinc/87/29/83/472872983.db2.gz LNOZJGKMCDYPOL-UHFFFAOYSA-N -1 0 329.343 2.863 10 0 EFAERM C[C@@]1(C(=O)[O-])CCCN1CC(=O)Nc1c(Cl)cccc1Cl ZINC000079489433 472873212 /nfs/dbraw/zinc/87/32/12/472873212.db2.gz NGUVMXSKMZFSLB-AWEZNQCLSA-N -1 0 331.199 2.871 10 0 EFAERM O=C([O-])c1ccc(N2CCOCC2)c(NC(=O)c2cccs2)c1 ZINC000064820572 472879823 /nfs/dbraw/zinc/87/98/23/472879823.db2.gz IHTIHVWDYNUENN-UHFFFAOYSA-N -1 0 332.381 2.535 10 0 EFAERM CCCN(C[C@H]1CCCCO1)C(=O)c1cnc2ccccc2c1O ZINC000106811289 472893914 /nfs/dbraw/zinc/89/39/14/472893914.db2.gz WLNGOBDIZBHIPW-CQSZACIVSA-N -1 0 328.412 2.949 10 0 EFAERM COC(=O)c1ccnc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000121727116 472900307 /nfs/dbraw/zinc/90/03/07/472900307.db2.gz YCHUOLOEEMBTIX-UHFFFAOYSA-N -1 0 340.788 2.631 10 0 EFAERM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 ZINC000065119328 472900451 /nfs/dbraw/zinc/90/04/51/472900451.db2.gz FXBYRWODNKBGRS-UHFFFAOYSA-N -1 0 347.421 2.608 10 0 EFAERM Cc1cccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)c1 ZINC000065119407 472900719 /nfs/dbraw/zinc/90/07/19/472900719.db2.gz LNOLFHQCUXABTO-UHFFFAOYSA-N -1 0 347.421 2.608 10 0 EFAERM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cc(F)ccc2C)s1 ZINC000065183664 472906054 /nfs/dbraw/zinc/90/60/54/472906054.db2.gz NTOJLVCDPADLAJ-UHFFFAOYSA-N -1 0 340.405 2.656 10 0 EFAERM COc1ccc(OC)c(NC(=O)c2c(=O)[nH]c3ccsc3c2[O-])c1 ZINC000065215130 472908119 /nfs/dbraw/zinc/90/81/19/472908119.db2.gz NVCYXTAPFIRQBS-UHFFFAOYSA-N -1 0 346.364 2.565 10 0 EFAERM O=C(NCCCc1ccccc1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215090 472908258 /nfs/dbraw/zinc/90/82/58/472908258.db2.gz ZNPKIFBFQYBDQU-UHFFFAOYSA-N -1 0 328.393 2.658 10 0 EFAERM COc1ccc(NC(=O)c2c(=O)[nH]c3ccsc3c2[O-])c(C)c1 ZINC000065215263 472908755 /nfs/dbraw/zinc/90/87/55/472908755.db2.gz SRVIKRPCADZVBK-UHFFFAOYSA-N -1 0 330.365 2.865 10 0 EFAERM O=C([O-])c1ccc(NS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000048807620 472910521 /nfs/dbraw/zinc/91/05/21/472910521.db2.gz SLRAVIATIJMEEU-UHFFFAOYSA-N -1 0 325.773 2.980 10 0 EFAERM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3F)o2)o1 ZINC000065246203 472914389 /nfs/dbraw/zinc/91/43/89/472914389.db2.gz XWWWFJIODSNUTF-UHFFFAOYSA-N -1 0 337.332 2.886 10 0 EFAERM CC(=O)c1cccc(NC(=O)c2c(C)[n-]n(Cc3ccccc3)c2=O)c1 ZINC000134532228 472924048 /nfs/dbraw/zinc/92/40/48/472924048.db2.gz HRLJJGZTENBYTD-GOSISDBHSA-N -1 0 349.390 2.862 10 0 EFAERM Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(F)cc1F ZINC000134532567 472924212 /nfs/dbraw/zinc/92/42/12/472924212.db2.gz ISHVFKSNHNFPLH-INIZCTEOSA-N -1 0 343.333 2.938 10 0 EFAERM CC(C)(C)c1ccc(CNC(=O)c2s[n-]c(=O)c2Cl)c(=O)[nH]1 ZINC000633818031 480018028 /nfs/dbraw/zinc/01/80/28/480018028.db2.gz LXGMUOFPIPCXFV-UHFFFAOYSA-N -1 0 341.820 2.830 10 0 EFAERM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000121913657 472944149 /nfs/dbraw/zinc/94/41/49/472944149.db2.gz UBTHBYMIUZLEMB-GFCCVEGCSA-N -1 0 336.407 2.544 10 0 EFAERM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCN(CC(F)F)CC1 ZINC000080022415 472962200 /nfs/dbraw/zinc/96/22/00/472962200.db2.gz LJRSAIHTEUDEDO-UHFFFAOYSA-N -1 0 339.169 2.722 10 0 EFAERM CNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000065531772 472968803 /nfs/dbraw/zinc/96/88/03/472968803.db2.gz LUHFEMSGUOFXNO-UHFFFAOYSA-N -1 0 341.339 2.517 10 0 EFAERM CCn1cnc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000122204516 472987076 /nfs/dbraw/zinc/98/70/76/472987076.db2.gz PPPFXHOXZDUZHG-UHFFFAOYSA-N -1 0 348.197 2.605 10 0 EFAERM Cc1cccc(S([O-])=CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000108101064 473001907 /nfs/dbraw/zinc/00/19/07/473001907.db2.gz LSKPLTAQWRDWMH-HSZRJFAPSA-N -1 0 326.421 2.739 10 0 EFAERM Cc1cccc(S([O-])=CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000108101067 473001932 /nfs/dbraw/zinc/00/19/32/473001932.db2.gz LSKPLTAQWRDWMH-QHCPKHFHSA-N -1 0 326.421 2.739 10 0 EFAERM CC1(C)CCC[C@@](CO)(NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000628807541 480025448 /nfs/dbraw/zinc/02/54/48/480025448.db2.gz UJIMDQIGHKRDDU-MRXNPFEDSA-N -1 0 331.334 2.871 10 0 EFAERM COc1ccccc1N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000066041715 473039583 /nfs/dbraw/zinc/03/95/83/473039583.db2.gz KDSXGIIRPYMDON-UHFFFAOYSA-N -1 0 348.349 2.641 10 0 EFAERM O=C(NCc1ccc(N2CCCC2)nc1)c1c([O-])cc(F)cc1F ZINC000066044236 473039980 /nfs/dbraw/zinc/03/99/80/473039980.db2.gz KJYWVTWBEGUSDG-UHFFFAOYSA-N -1 0 333.338 2.596 10 0 EFAERM CCOC(=O)c1csc([N-]S(=O)(=O)c2ccc(F)cc2C)n1 ZINC000066247225 473063240 /nfs/dbraw/zinc/06/32/40/473063240.db2.gz CDGJQQABJBXOLL-UHFFFAOYSA-N -1 0 344.389 2.568 10 0 EFAERM CCOC(=O)c1csc([N-]S(=O)(=O)c2ccc(CC)s2)n1 ZINC000066247292 473063999 /nfs/dbraw/zinc/06/39/99/473063999.db2.gz MBGILMKCPYYFKP-UHFFFAOYSA-N -1 0 346.455 2.745 10 0 EFAERM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C3CCOCC3)n2)cc1 ZINC000074829388 473072643 /nfs/dbraw/zinc/07/26/43/473072643.db2.gz OMLOSCYWIAQAGD-UHFFFAOYSA-N -1 0 343.427 2.952 10 0 EFAERM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)cc1F ZINC000122916652 473074145 /nfs/dbraw/zinc/07/41/45/473074145.db2.gz BXIZOTYBTHZEIH-UHFFFAOYSA-N -1 0 327.356 2.535 10 0 EFAERM COc1cc(C)c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000074983358 473107326 /nfs/dbraw/zinc/10/73/26/473107326.db2.gz PLKVMMZTJSOTIX-UHFFFAOYSA-N -1 0 335.381 2.842 10 0 EFAERM Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1C(=O)NC(C)C ZINC000066585504 473119212 /nfs/dbraw/zinc/11/92/12/473119212.db2.gz FVPHRMZWLWRDGQ-JKSUJKDBSA-N -1 0 344.411 2.739 10 0 EFAERM Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCC(F)(F)CC2)cc1C ZINC000136007050 473127030 /nfs/dbraw/zinc/12/70/30/473127030.db2.gz XQVCMLBQONPTNW-UHFFFAOYSA-N -1 0 331.384 2.934 10 0 EFAERM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC(c2ccon2)CC1 ZINC000620224014 480031475 /nfs/dbraw/zinc/03/14/75/480031475.db2.gz ZLVGJJLPKKLHCI-UHFFFAOYSA-N -1 0 338.367 2.586 10 0 EFAERM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)s1 ZINC000110095230 473144149 /nfs/dbraw/zinc/14/41/49/473144149.db2.gz SGRAYVLPUVHJNP-UHFFFAOYSA-N -1 0 334.426 2.896 10 0 EFAERM Cc1nc2cc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)ccc2o1 ZINC000052920492 473162713 /nfs/dbraw/zinc/16/27/13/473162713.db2.gz HLSGHEAXWOZVSL-UHFFFAOYSA-N -1 0 345.380 2.760 10 0 EFAERM CC[C@](C)(NC(=O)NCc1cc(F)cc(Br)c1)C(=O)[O-] ZINC000093981280 473165158 /nfs/dbraw/zinc/16/51/58/473165158.db2.gz XDSAQCIOKQGBAS-ZDUSSCGKSA-N -1 0 347.184 2.641 10 0 EFAERM CC(C)C(=O)NCCN(C)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000123746785 473180503 /nfs/dbraw/zinc/18/05/03/473180503.db2.gz OZNGDYICRHTQNS-UHFFFAOYSA-N -1 0 333.215 2.543 10 0 EFAERM COc1cc(F)ccc1N1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000123824368 473189567 /nfs/dbraw/zinc/18/95/67/473189567.db2.gz QRXFAVSAKPGACC-UHFFFAOYSA-N -1 0 348.349 2.641 10 0 EFAERM C[C@@H]1CCCCN1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278865 473202667 /nfs/dbraw/zinc/20/26/67/473202667.db2.gz CHUMLRYUFNKGQI-SECBINFHSA-N -1 0 332.809 2.569 10 0 EFAERM CC1(C)CC[C@@H]1C(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000613554815 480036343 /nfs/dbraw/zinc/03/63/43/480036343.db2.gz JZXKOKFLVWHEAN-BXKDBHETSA-N -1 0 337.786 2.634 10 0 EFAERM O=C1NCc2cccc([N-]S(=O)(=O)c3c(F)cccc3Cl)c21 ZINC000125412289 473407186 /nfs/dbraw/zinc/40/71/86/473407186.db2.gz XBZVHBBGMSXXRY-UHFFFAOYSA-N -1 0 340.763 2.523 10 0 EFAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@@H](C2OCCO2)C1 ZINC000171616710 473421717 /nfs/dbraw/zinc/42/17/17/473421717.db2.gz KOKRUGYJLYZWKO-SECBINFHSA-N -1 0 346.210 2.924 10 0 EFAERM Cc1cc(S(=O)(=O)[N-]c2nc3ccccn3n2)c(Cl)cc1F ZINC000163335229 473435809 /nfs/dbraw/zinc/43/58/09/473435809.db2.gz JMHVOXBWMXUGPT-UHFFFAOYSA-N -1 0 340.767 2.631 10 0 EFAERM O=C([O-])[C@@H](CNC(=O)C1CCC(F)(F)CC1)Cc1ccccc1 ZINC000190959114 473440773 /nfs/dbraw/zinc/44/07/73/473440773.db2.gz LWFOOICHBYOGGT-CQSZACIVSA-N -1 0 325.355 2.872 10 0 EFAERM O=C(Cn1cc(-c2ccccc2)nn1)Nc1cccc(Cl)c1[O-] ZINC000178012526 473459375 /nfs/dbraw/zinc/45/93/75/473459375.db2.gz IUXGYPJMNUEEFI-UHFFFAOYSA-N -1 0 328.759 2.943 10 0 EFAERM COC(=O)c1cncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000178332228 473492500 /nfs/dbraw/zinc/49/25/00/473492500.db2.gz ZQQOMEJTDGXXCN-UHFFFAOYSA-N -1 0 334.397 2.594 10 0 EFAERM Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000164866283 473500557 /nfs/dbraw/zinc/50/05/57/473500557.db2.gz BEGPZSAJPSSSNO-JSGCOSHPSA-N -1 0 331.821 2.570 10 0 EFAERM CCCn1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](c3ccccc3)C2)cn1 ZINC000191197590 473504952 /nfs/dbraw/zinc/50/49/52/473504952.db2.gz YDIHXPVAQMUKCB-JKSUJKDBSA-N -1 0 341.411 2.624 10 0 EFAERM C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000172067801 473513867 /nfs/dbraw/zinc/51/38/67/473513867.db2.gz XKDYUDLTYGZKER-BONVTDFDSA-N -1 0 337.335 2.533 10 0 EFAERM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(C2CC2)cc1 ZINC000191308898 473525045 /nfs/dbraw/zinc/52/50/45/473525045.db2.gz RJQIUQKTDLSFRM-UHFFFAOYSA-N -1 0 344.436 2.866 10 0 EFAERM CO[C@@H]1CCC[C@H]([C@H](CO)N=c2nc(-c3cccc(C)c3)[n-]s2)C1 ZINC000631351361 480044183 /nfs/dbraw/zinc/04/41/83/480044183.db2.gz IKTSIMVFJJGOPN-IMJJTQAJSA-N -1 0 347.484 2.913 10 0 EFAERM O=C([O-])CN(CCc1ccccc1)C(=O)c1scnc1C1CC1 ZINC000191324786 473527632 /nfs/dbraw/zinc/52/76/32/473527632.db2.gz GFMPGAOKFLRRLQ-UHFFFAOYSA-N -1 0 330.409 2.790 10 0 EFAERM CO[C@@H]1CCC[C@@H]([C@@H](CO)N=c2nc(-c3cccc(C)c3)[n-]s2)C1 ZINC000631351360 480044763 /nfs/dbraw/zinc/04/47/63/480044763.db2.gz IKTSIMVFJJGOPN-FVQBIDKESA-N -1 0 347.484 2.913 10 0 EFAERM O=C(c1c([O-])cccc1F)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000185912241 473546860 /nfs/dbraw/zinc/54/68/60/473546860.db2.gz BNHPJTZPNLHSEE-YGRLFVJLSA-N -1 0 337.297 2.758 10 0 EFAERM CCc1nnc(C2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)[nH]1 ZINC000191502576 473547373 /nfs/dbraw/zinc/54/73/73/473547373.db2.gz MUEMIQCBGIEXAF-UHFFFAOYSA-N -1 0 334.807 2.746 10 0 EFAERM O=C([O-])c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1 ZINC000169676792 473547648 /nfs/dbraw/zinc/54/76/48/473547648.db2.gz AFRWMKCHLWBMAO-UHFFFAOYSA-N -1 0 336.351 2.833 10 0 EFAERM O=C(NC1(c2nnn[n-]2)CCCC1)c1cc(Cl)cc(Cl)c1F ZINC000631354037 480045692 /nfs/dbraw/zinc/04/56/92/480045692.db2.gz MWCOOTPGPVFYRI-UHFFFAOYSA-N -1 0 344.177 2.845 10 0 EFAERM O=C(CCc1ccc(C(F)F)cc1)NC1(c2nnn[n-]2)CCCC1 ZINC000631354262 480045831 /nfs/dbraw/zinc/04/58/31/480045831.db2.gz PCVRBLCQLGTUHE-UHFFFAOYSA-N -1 0 335.358 2.656 10 0 EFAERM Cc1cc([C@H]2CN(C(=O)c3cc(C(=O)[O-])co3)CCO2)ccc1F ZINC000191609740 473559666 /nfs/dbraw/zinc/55/96/66/473559666.db2.gz IWYILMAHTSTESZ-OAHLLOKOSA-N -1 0 333.315 2.639 10 0 EFAERM O=S(=O)([N-]c1noc(-c2ccco2)n1)c1cccc2ncccc21 ZINC000170599544 473560721 /nfs/dbraw/zinc/56/07/21/473560721.db2.gz MPQNDBQVMCCKQB-UHFFFAOYSA-N -1 0 342.336 2.679 10 0 EFAERM C[C@@H](C(=O)NC1(CC(=O)[O-])CCCCC1)N(C)C(=O)OC(C)(C)C ZINC000115369042 473561035 /nfs/dbraw/zinc/56/10/35/473561035.db2.gz LRBWMBZEPUNUEL-LBPRGKRZSA-N -1 0 342.436 2.536 10 0 EFAERM O=C(Nc1[n-]c(=O)ncc1F)c1ccc(Cl)cc1Br ZINC000170605951 473563459 /nfs/dbraw/zinc/56/34/59/473563459.db2.gz UOPMJNCZUJEWBZ-UHFFFAOYSA-N -1 0 346.543 2.577 10 0 EFAERM Cc1ccc([C@H]2CN(C(=O)CCc3ccc(C(=O)[O-])cc3)CCO2)o1 ZINC000191657376 473565315 /nfs/dbraw/zinc/56/53/15/473565315.db2.gz JMKLFOIFEIGGSV-QGZVFWFLSA-N -1 0 343.379 2.819 10 0 EFAERM O=C(NCC1CCC2(CC1)OCCO2)c1ccc2[n-]c(=S)oc2c1 ZINC000170650274 473574928 /nfs/dbraw/zinc/57/49/28/473574928.db2.gz OAZXGBCMMAATOK-UHFFFAOYSA-N -1 0 348.424 2.780 10 0 EFAERM C[S@@](=O)Cc1cccc(NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000115724389 473597283 /nfs/dbraw/zinc/59/72/83/473597283.db2.gz OQNLMPMGPDLMME-QFIPXVFZSA-N -1 0 325.336 2.801 10 0 EFAERM Cc1c(CNC(=O)c2n[n-]c3ccccc3c2=O)oc2ccccc12 ZINC000115714854 473597792 /nfs/dbraw/zinc/59/77/92/473597792.db2.gz RLRHCNISUDLKFM-UHFFFAOYSA-N -1 0 333.347 2.908 10 0 EFAERM COC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000170735135 473598941 /nfs/dbraw/zinc/59/89/41/473598941.db2.gz YQXBDXNRINBNMS-AWEZNQCLSA-N -1 0 345.342 2.770 10 0 EFAERM COC(=O)C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000127363711 473604468 /nfs/dbraw/zinc/60/44/68/473604468.db2.gz UQMLWSCFPWCPNX-CYBMUJFWSA-N -1 0 335.306 2.705 10 0 EFAERM O=C(NCCOc1ccc(F)cc1F)c1cc(F)c(F)c([O-])c1F ZINC000186160803 473604842 /nfs/dbraw/zinc/60/48/42/473604842.db2.gz RTCSPFNMVZKVKR-UHFFFAOYSA-N -1 0 347.239 2.897 10 0 EFAERM COC(=O)c1cncc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000179008066 473610448 /nfs/dbraw/zinc/61/04/48/473610448.db2.gz DJIPKYMMSDAFNW-UHFFFAOYSA-N -1 0 334.397 2.792 10 0 EFAERM COCc1csc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)n1 ZINC000115928474 473615095 /nfs/dbraw/zinc/61/50/95/473615095.db2.gz JBVDNOOLXUKBCP-UHFFFAOYSA-N -1 0 342.442 2.716 10 0 EFAERM COc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000170966764 473656765 /nfs/dbraw/zinc/65/67/65/473656765.db2.gz KUOKUHAOLVKLQD-LLVKDONJSA-N -1 0 339.351 2.781 10 0 EFAERM CCO[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(Cl)c2)C12CCOCC2 ZINC000186467916 473678169 /nfs/dbraw/zinc/67/81/69/473678169.db2.gz HVQXGFFASNFTBE-LSDHHAIUSA-N -1 0 339.819 2.750 10 0 EFAERM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)cc1 ZINC000172834225 473690715 /nfs/dbraw/zinc/69/07/15/473690715.db2.gz TWACTZQNYHSNME-UHFFFAOYSA-N -1 0 338.385 2.560 10 0 EFAERM CC(C)c1cccc(S(=O)(=O)[N-]c2cccnc2-n2cncn2)c1 ZINC000172890419 473698613 /nfs/dbraw/zinc/69/86/13/473698613.db2.gz ATSBLYLMLRRZSR-UHFFFAOYSA-N -1 0 343.412 2.587 10 0 EFAERM Cc1cccc(CSCC(=O)N2C[C@H](C(=O)[O-])[C@@H](C3CC3)C2)c1 ZINC000262643592 473705889 /nfs/dbraw/zinc/70/58/89/473705889.db2.gz IKTXUIKHOUWCHK-CVEARBPZSA-N -1 0 333.453 2.797 10 0 EFAERM COc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1OC1CCCC1 ZINC000262722828 473716151 /nfs/dbraw/zinc/71/61/51/473716151.db2.gz QRLYTMCRWLSAMB-UONOGXRCSA-N -1 0 347.411 3.000 10 0 EFAERM C[C@H](C(=O)[O-])N(C)C(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000262721595 473716470 /nfs/dbraw/zinc/71/64/70/473716470.db2.gz AOHONNBEKMMNQH-MRXNPFEDSA-N -1 0 340.423 2.620 10 0 EFAERM COc1cc(C(=O)[O-])cc(NC(=O)c2oc(C3CC3)nc2C)c1OC ZINC000262733206 473716883 /nfs/dbraw/zinc/71/68/83/473716883.db2.gz DQSLLKWZDHCHLH-UHFFFAOYSA-N -1 0 346.339 2.828 10 0 EFAERM O=C([O-])[C@H]1CC[C@H](C(=O)NC2(c3noc(C4CC4)n3)CCCC2)CC1 ZINC000262730181 473717406 /nfs/dbraw/zinc/71/74/06/473717406.db2.gz ATZUOLSTNARCCR-AULYBMBSSA-N -1 0 347.415 2.724 10 0 EFAERM CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000262752034 473720156 /nfs/dbraw/zinc/72/01/56/473720156.db2.gz YGBDHDLXYVXPQJ-HDJSIYSDSA-N -1 0 346.427 2.998 10 0 EFAERM CCN(C)C(=O)N[C@H](CSCc1cccc2cccnc21)C(=O)[O-] ZINC000287654934 473725638 /nfs/dbraw/zinc/72/56/38/473725638.db2.gz VCQAGLZJOKORKH-CQSZACIVSA-N -1 0 347.440 2.583 10 0 EFAERM C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1nc(-c2cccc(F)c2)no1 ZINC000262812085 473726498 /nfs/dbraw/zinc/72/64/98/473726498.db2.gz ACNLUAXSSQBETN-WCQGTBRESA-N -1 0 347.346 2.554 10 0 EFAERM Cc1nc([C@H](C)NC(=O)c2ncccc2OC(C)C)sc1C(=O)[O-] ZINC000262840454 473728468 /nfs/dbraw/zinc/72/84/68/473728468.db2.gz SAXZMHBDDBGGKW-JTQLQIEISA-N -1 0 349.412 2.823 10 0 EFAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000262897427 473735228 /nfs/dbraw/zinc/73/52/28/473735228.db2.gz CRYUDGWIIJTGPZ-NWDGAFQWSA-N -1 0 337.759 2.790 10 0 EFAERM O=C([O-])CC1(NC(=O)CCc2nc(C3CCCC3)no2)CCCC1 ZINC000262898599 473736192 /nfs/dbraw/zinc/73/61/92/473736192.db2.gz MAOMBUNQKJPSFK-UHFFFAOYSA-N -1 0 335.404 2.564 10 0 EFAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc(SC)ccc2Cl)C1 ZINC000262913017 473737817 /nfs/dbraw/zinc/73/78/17/473737817.db2.gz DSXPESFIVBIPFL-VHSXEESVSA-N -1 0 343.832 2.766 10 0 EFAERM O=C([O-])[C@H](CC1CC1)NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000262921799 473739421 /nfs/dbraw/zinc/73/94/21/473739421.db2.gz IRPGSUOJAPPXKJ-INIZCTEOSA-N -1 0 326.352 2.857 10 0 EFAERM CC1=NN(c2ccc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])cc2)CC1 ZINC000263017784 473740818 /nfs/dbraw/zinc/74/08/18/473740818.db2.gz QAYRSMQPTNKJFN-BHYGNILZSA-N -1 0 341.411 2.598 10 0 EFAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC000263181735 473745432 /nfs/dbraw/zinc/74/54/32/473745432.db2.gz WZALOBUNFRDBBL-KGLIPLIRSA-N -1 0 349.402 2.728 10 0 EFAERM Cc1ccc(C[C@@H](C)C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])cc1 ZINC000263263853 473746168 /nfs/dbraw/zinc/74/61/68/473746168.db2.gz KHYOFRFAFZWMOF-ZBFHGGJFSA-N -1 0 335.444 2.948 10 0 EFAERM C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)c1ccc2ccccc2c1 ZINC000186747259 473747527 /nfs/dbraw/zinc/74/75/27/473747527.db2.gz QUSQGQZCXRFPJL-SNVBAGLBSA-N -1 0 328.397 2.633 10 0 EFAERM Cn1c2c(nc1[C@@H]1CCCN1c1cccc(C(=O)[O-])n1)CCCC2 ZINC000263413714 473753305 /nfs/dbraw/zinc/75/33/05/473753305.db2.gz NFCORUIVPZDZRS-HNNXBMFYSA-N -1 0 326.400 2.734 10 0 EFAERM CC[C@@]1(C)CN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CCO1 ZINC000263474277 473757720 /nfs/dbraw/zinc/75/77/20/473757720.db2.gz MEUOSGRNRCFAJZ-LPHOPBHVSA-N -1 0 348.443 2.673 10 0 EFAERM Cc1coc(CC(=O)[O-])c1C(=O)N(C)CCOc1ccc(F)cc1 ZINC000263467233 473758416 /nfs/dbraw/zinc/75/84/16/473758416.db2.gz WXESSYYAHCUKSL-UHFFFAOYSA-N -1 0 335.331 2.505 10 0 EFAERM CS[C@H]1CCN(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000263467667 473758571 /nfs/dbraw/zinc/75/85/71/473758571.db2.gz KKYRVANLAFXPBM-CABCVRRESA-N -1 0 336.457 2.609 10 0 EFAERM CCc1nnsc1C(=O)Nc1sc(C)c(CC)c1C(=O)[O-] ZINC000263493074 473759469 /nfs/dbraw/zinc/75/94/69/473759469.db2.gz XFWUPCWQYOGWQS-UHFFFAOYSA-N -1 0 325.415 2.983 10 0 EFAERM CCCOc1ccc(C(=O)CCC(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC000263501136 473760590 /nfs/dbraw/zinc/76/05/90/473760590.db2.gz YZFMUYWKLVSGPX-QWHCGFSZSA-N -1 0 335.400 2.664 10 0 EFAERM Cc1c(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])cnn1-c1ccccc1Cl ZINC000263504302 473761104 /nfs/dbraw/zinc/76/11/04/473761104.db2.gz ZRCFCSUICXHQAG-VHSXEESVSA-N -1 0 335.791 2.673 10 0 EFAERM CCO[C@H]1C[C@](NC(=O)C[C@@H](C)c2ccccc2)(C(=O)[O-])C1(C)C ZINC000193039768 473763869 /nfs/dbraw/zinc/76/38/69/473763869.db2.gz PHLIXHPORNZHSK-WTANOLMUSA-N -1 0 333.428 2.955 10 0 EFAERM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000193038184 473764581 /nfs/dbraw/zinc/76/45/81/473764581.db2.gz YJCWJBGKTTUCMQ-NSHDSACASA-N -1 0 339.317 2.992 10 0 EFAERM C[C@H](Oc1cccc2ccccc21)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000263528318 473767960 /nfs/dbraw/zinc/76/79/60/473767960.db2.gz LEDPTZRRODOYCB-SGTLLEGYSA-N -1 0 345.420 2.684 10 0 EFAERM COc1ccc(F)cc1CC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000263529522 473768390 /nfs/dbraw/zinc/76/83/90/473768390.db2.gz LUGFFQHZODIEBB-CABCVRRESA-N -1 0 337.391 2.917 10 0 EFAERM COc1cccc([C@H]2CN(C(=O)c3cc(F)c([O-])c(F)c3)CCO2)c1 ZINC000186875698 473773353 /nfs/dbraw/zinc/77/33/53/473773353.db2.gz KVUCKAGOADHDEC-MRXNPFEDSA-N -1 0 349.333 2.893 10 0 EFAERM O=C([O-])C[C@H](NC(=O)CC[C@H]1CCOC1)c1ccc(Cl)c(F)c1 ZINC000263556592 473776085 /nfs/dbraw/zinc/77/60/85/473776085.db2.gz ZDXYMJJASWMNEI-HZMBPMFUSA-N -1 0 343.782 2.928 10 0 EFAERM C[C@@H](C(=O)[O-])N(C)C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000263577206 473784748 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CC(C)C[C@H](CNC(=O)N1CC=C(c2ccc(O)cc2)CC1)C(=O)[O-] ZINC000424409251 477394127 /nfs/dbraw/zinc/39/41/27/477394127.db2.gz WXKRLVFGWGZHNG-MRXNPFEDSA-N -1 0 346.427 2.938 10 0 EFAERM CCCN(CCc1ccccn1)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424408476 477394389 /nfs/dbraw/zinc/39/43/89/477394389.db2.gz IFKUHNFVVGVGQP-OAHLLOKOSA-N -1 0 335.448 2.793 10 0 EFAERM CC(C)C[C@@H](CNC(=O)N1CCc2cc(F)c(F)cc21)C(=O)[O-] ZINC000424408076 477394420 /nfs/dbraw/zinc/39/44/20/477394420.db2.gz HUNNNHFXMHYCLG-NSHDSACASA-N -1 0 326.343 2.784 10 0 EFAERM CC(C)C[C@@H](CNC(=O)N1CCO[C@H](c2ccsc2)C1)C(=O)[O-] ZINC000424409231 477394558 /nfs/dbraw/zinc/39/45/58/477394558.db2.gz JBRVDMPNWJNOKN-KBPBESRZSA-N -1 0 340.445 2.578 10 0 EFAERM COc1ccc2c(c1)CN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000424406196 477394651 /nfs/dbraw/zinc/39/46/51/477394651.db2.gz FTHLKFFDGSGKEW-CQSZACIVSA-N -1 0 334.416 2.510 10 0 EFAERM CC(C)C[C@@H](CNC(=O)N[C@@H]1COc2ccc(Cl)cc21)C(=O)[O-] ZINC000424409812 477396025 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CCC(C)(C)c1ccc(S(=O)(=O)NC2(CC(=O)[O-])CC2)cc1 ZINC000570636564 478404936 /nfs/dbraw/zinc/40/49/36/478404936.db2.gz VABDPADDCRIBIJ-UHFFFAOYSA-N -1 0 325.430 2.660 10 0 EFAERM O=C([O-])[C@H](CNC(=O)CCCc1ccc(F)c(F)c1)CC1CC1 ZINC000570638081 478405505 /nfs/dbraw/zinc/40/55/05/478405505.db2.gz KHAFCPMJLRFWOZ-ZDUSSCGKSA-N -1 0 325.355 2.905 10 0 EFAERM Cc1nn(C(C)(C)C)cc1[C@@H](C)N=c1[n-]c(C2CCOCC2)no1 ZINC000570686587 478420967 /nfs/dbraw/zinc/42/09/67/478420967.db2.gz LBAURXLRHYNKPS-LLVKDONJSA-N -1 0 333.436 2.819 10 0 EFAERM CC(C)c1ncc2c(n1)CCN(C(=O)CC1CCC(C(=O)[O-])CC1)C2 ZINC000527614617 478445635 /nfs/dbraw/zinc/44/56/35/478445635.db2.gz DRNBZXYXYWJCJA-UHFFFAOYSA-N -1 0 345.443 2.766 10 0 EFAERM CCCCC1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)CC1 ZINC000570791163 478445764 /nfs/dbraw/zinc/44/57/64/478445764.db2.gz UJRUBIWFHATPPH-PIMMBPRGSA-N -1 0 336.436 2.594 10 0 EFAERM CC(C)(C)OC(=O)c1cncc([N-]S(=O)(=O)c2cccs2)c1 ZINC000594581743 478447214 /nfs/dbraw/zinc/44/72/14/478447214.db2.gz BBOLCAQFUKMZBR-UHFFFAOYSA-N -1 0 340.426 2.899 10 0 EFAERM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cn2)cn1 ZINC000594584960 478448843 /nfs/dbraw/zinc/44/88/43/478448843.db2.gz LSLJODJMQSLRCA-UHFFFAOYSA-N -1 0 349.412 2.541 10 0 EFAERM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000539932987 478451264 /nfs/dbraw/zinc/45/12/64/478451264.db2.gz VHBKXTYKCXQYES-LBPRGKRZSA-N -1 0 346.406 2.624 10 0 EFAERM C[C@H]1CCc2sc(C(=O)N3CCC(c4n[nH]c(=O)[n-]4)CC3)cc2C1 ZINC000539932339 478451497 /nfs/dbraw/zinc/45/14/97/478451497.db2.gz RWIDWAISBXTEAV-JTQLQIEISA-N -1 0 346.456 2.716 10 0 EFAERM CCCc1nsc(=N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)[n-]1 ZINC000594599727 478459182 /nfs/dbraw/zinc/45/91/82/478459182.db2.gz NQWFMNBUYWXWOU-ZDUSSCGKSA-N -1 0 348.472 2.672 10 0 EFAERM COC(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c2ccccc12 ZINC000600664344 478459790 /nfs/dbraw/zinc/45/97/90/478459790.db2.gz XRLYCVCWFDMIRL-LBPRGKRZSA-N -1 0 349.408 2.547 10 0 EFAERM C[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]1C(=O)[O-] ZINC000563139677 478461214 /nfs/dbraw/zinc/46/12/14/478461214.db2.gz ACCKSDCNUGXLRI-CABZTGNLSA-N -1 0 331.290 2.768 10 0 EFAERM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)NCCc1cc2ccccc2o1 ZINC000570890343 478469126 /nfs/dbraw/zinc/46/91/26/478469126.db2.gz IPMHCFGPFRFHNS-UNEWFSDZSA-N -1 0 342.395 2.870 10 0 EFAERM CCc1cccc(CC(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@H](OC)C2)c1 ZINC000581954454 478477569 /nfs/dbraw/zinc/47/75/69/478477569.db2.gz XZRXREMJISYBQF-RYRKJORJSA-N -1 0 333.428 2.566 10 0 EFAERM C[C@H]1CCN(C(=O)Nc2c3c(ccc2Cl)OCC3)C[C@@H]1C(=O)[O-] ZINC000570928883 478481447 /nfs/dbraw/zinc/48/14/47/478481447.db2.gz SXTHMULSDGZOPX-ONGXEEELSA-N -1 0 338.791 2.849 10 0 EFAERM COCCC1(CNC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])CCCC1 ZINC000581987586 478481902 /nfs/dbraw/zinc/48/19/02/478481902.db2.gz OPDSTQZXHGAJAS-AWEZNQCLSA-N -1 0 328.453 2.724 10 0 EFAERM O=C(N=c1ncn(Cc2ccccc2)[n-]1)NC/C=C/c1ccccc1 ZINC000540887356 478500993 /nfs/dbraw/zinc/50/09/93/478500993.db2.gz LXYNZBMPGMOCSJ-KPKJPENVSA-N -1 0 333.395 2.583 10 0 EFAERM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C1(C(=O)[O-])CCOCC1 ZINC000582065145 478502157 /nfs/dbraw/zinc/50/21/57/478502157.db2.gz BFYKABCTEQYACL-CYBMUJFWSA-N -1 0 335.400 2.599 10 0 EFAERM COc1ccccc1CCNC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000571035708 478504040 /nfs/dbraw/zinc/50/40/40/478504040.db2.gz AEMHDEBYLIFAFR-CQSZACIVSA-N -1 0 336.432 2.816 10 0 EFAERM CS(=O)(=O)Nc1cc(NC(=O)[C@H]2CCCC23CC3)ccc1F ZINC000527784708 478516851 /nfs/dbraw/zinc/51/68/51/478516851.db2.gz IHASRDSYBNVZGO-LLVKDONJSA-N -1 0 326.393 2.716 10 0 EFAERM COC(=O)[C@H](Sc1n[n-]c(=NCCc2ccccc2)s1)C1CC1 ZINC000540977605 478525082 /nfs/dbraw/zinc/52/50/82/478525082.db2.gz BMPHHUWMPMOBIJ-CYBMUJFWSA-N -1 0 349.481 2.658 10 0 EFAERM C[C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C[C@@H]1C(=O)[O-] ZINC000582181490 478532596 /nfs/dbraw/zinc/53/25/96/478532596.db2.gz ZWJXHHIYYJOWGN-HIFRSBDPSA-N -1 0 342.395 2.843 10 0 EFAERM Cc1cc(C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)oc1C(=O)[O-] ZINC000600868219 478545691 /nfs/dbraw/zinc/54/56/91/478545691.db2.gz GQBKXPDIPCOYJS-WYVULQQZSA-N -1 0 335.381 2.515 10 0 EFAERM CSC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000600869816 478546906 /nfs/dbraw/zinc/54/69/06/478546906.db2.gz LSGLYZCMNWAEQN-QMMMGPOBSA-N -1 0 333.356 2.966 10 0 EFAERM C[C@@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)c1ccnn1C ZINC000600870402 478547024 /nfs/dbraw/zinc/54/70/24/478547024.db2.gz RMTSTDBGGTUFSR-GFCCVEGCSA-N -1 0 347.440 2.870 10 0 EFAERM CC(C)SCC(=O)Nc1ccc(-n2ccc(C(=O)[O-])n2)c(F)c1 ZINC000600873384 478547898 /nfs/dbraw/zinc/54/78/98/478547898.db2.gz GTJAWGWNRFGEMB-UHFFFAOYSA-N -1 0 337.376 2.790 10 0 EFAERM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C)C(C)(C)CC ZINC000594813410 478548023 /nfs/dbraw/zinc/54/80/23/478548023.db2.gz RAYFCZTVAKUYHZ-NXEZZACHSA-N -1 0 347.399 2.615 10 0 EFAERM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C)C(C)(C)CC ZINC000594813412 478548431 /nfs/dbraw/zinc/54/84/31/478548431.db2.gz RAYFCZTVAKUYHZ-VHSXEESVSA-N -1 0 347.399 2.615 10 0 EFAERM CCSCc1ccc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)cc1 ZINC000600878009 478549195 /nfs/dbraw/zinc/54/91/95/478549195.db2.gz NIBVWNOOKBDWDI-QGZVFWFLSA-N -1 0 337.441 2.551 10 0 EFAERM CCC[C@H](C(=O)[O-])[S@](=O)Cc1coc(-c2ccccc2F)n1 ZINC000600880000 478550574 /nfs/dbraw/zinc/55/05/74/478550574.db2.gz NGOZIUHHSWIQRZ-MCMMXHMISA-N -1 0 325.361 2.983 10 0 EFAERM CC[C@@H](NC(=O)NCC1(c2c(F)cccc2F)CCCC1)C(=O)[O-] ZINC000582260176 478553334 /nfs/dbraw/zinc/55/33/34/478553334.db2.gz NZZWEZJMEUJBIA-CYBMUJFWSA-N -1 0 340.370 2.939 10 0 EFAERM Cc1cccc(NS(=O)(=O)CCOCC2CCCC2)c1C(=O)[O-] ZINC000571267600 478555889 /nfs/dbraw/zinc/55/58/89/478555889.db2.gz JTIGRNBEMDUACO-UHFFFAOYSA-N -1 0 341.429 2.642 10 0 EFAERM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)NCCc1cccc(Cl)c1 ZINC000582278323 478556829 /nfs/dbraw/zinc/55/68/29/478556829.db2.gz RPDIUIVUVQRDSH-SNPRPXQTSA-N -1 0 336.819 2.777 10 0 EFAERM C[C@@H]1CCN(C(=O)Nc2ccccc2OC(F)F)C[C@@H]1C(=O)[O-] ZINC000571326663 478571653 /nfs/dbraw/zinc/57/16/53/478571653.db2.gz JLIGGXNLGGGTHJ-ZJUUUORDSA-N -1 0 328.315 2.863 10 0 EFAERM COc1cccc(S([O-])=CC(=O)N2CCC(c3ccco3)CC2)c1 ZINC000597926810 478581136 /nfs/dbraw/zinc/58/11/36/478581136.db2.gz YJMJMUKBKRAMNP-XMMPIXPASA-N -1 0 347.436 2.802 10 0 EFAERM CC[C@@H](C(=O)[O-])N(C(=O)NCc1ccn(C2CCCC2)n1)C1CC1 ZINC000582398248 478585647 /nfs/dbraw/zinc/58/56/47/478585647.db2.gz NSZWBFUWLFZPLA-HNNXBMFYSA-N -1 0 334.420 2.535 10 0 EFAERM CO[C@@H]1CN(C(=O)Nc2cccc(CSC)c2)[C@](C)(C(=O)[O-])C1 ZINC000600959003 478586246 /nfs/dbraw/zinc/58/62/46/478586246.db2.gz PGARXQLVIMXSET-BBRMVZONSA-N -1 0 338.429 2.646 10 0 EFAERM C/C=C/C[C@H](NC(=O)NCc1ccccc1COC(C)C)C(=O)[O-] ZINC000563588603 478593941 /nfs/dbraw/zinc/59/39/41/478593941.db2.gz BPDFJGNYXVQAAX-APHBUQMISA-N -1 0 334.416 2.830 10 0 EFAERM C/C=C\C[C@H](NC(=O)NCc1ccccc1COC(C)C)C(=O)[O-] ZINC000563588604 478593978 /nfs/dbraw/zinc/59/39/78/478593978.db2.gz BPDFJGNYXVQAAX-AWFCHZOYSA-N -1 0 334.416 2.830 10 0 EFAERM CCc1cccc2c(CC(=O)NC[C@@H](CC3CC3)C(=O)[O-])c[nH]c21 ZINC000582424891 478595700 /nfs/dbraw/zinc/59/57/00/478595700.db2.gz CNAZEQYXAQGMMQ-OAHLLOKOSA-N -1 0 328.412 2.890 10 0 EFAERM COc1cccc(S([O-])=CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)c1 ZINC000597979590 478604537 /nfs/dbraw/zinc/60/45/37/478604537.db2.gz OBZQYGUXPKGJII-ZDODERHWSA-N -1 0 337.485 2.991 10 0 EFAERM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2csc(-c3ccccn3)n2)C1 ZINC000582481551 478606807 /nfs/dbraw/zinc/60/68/07/478606807.db2.gz SHQOLZMDNDAMDO-QWRGUYRKSA-N -1 0 346.412 2.780 10 0 EFAERM CC[C@H](C)C[C@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)C(=O)[O-] ZINC000563626482 478607338 /nfs/dbraw/zinc/60/73/38/478607338.db2.gz YCMKXRQWFTVPMG-LRDDRELGSA-N -1 0 346.427 2.583 10 0 EFAERM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2csc(-c3ccccn3)n2)C1 ZINC000582481550 478607492 /nfs/dbraw/zinc/60/74/92/478607492.db2.gz SHQOLZMDNDAMDO-MNOVXSKESA-N -1 0 346.412 2.780 10 0 EFAERM CC(C)(C)c1csc(CCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000591690244 478607562 /nfs/dbraw/zinc/60/75/62/478607562.db2.gz HNBLYJVZNCMJDP-RYUDHWBXSA-N -1 0 336.457 2.766 10 0 EFAERM COC(=O)CN(C(=O)c1cc(F)c([O-])c(F)c1)C1CCCCC1 ZINC000598003243 478613747 /nfs/dbraw/zinc/61/37/47/478613747.db2.gz ZYNIIOJMRSDGAW-UHFFFAOYSA-N -1 0 327.327 2.618 10 0 EFAERM O=C([O-])c1coc(CN2CCc3c(Br)cccc3C2)n1 ZINC000571529732 478619681 /nfs/dbraw/zinc/61/96/81/478619681.db2.gz VYNKNMHPJVSDLX-UHFFFAOYSA-N -1 0 337.173 2.694 10 0 EFAERM O=C([O-])C[C@H]1CCCN(S(=O)(=O)Cc2ccc3ccccc3c2)C1 ZINC000571538207 478622513 /nfs/dbraw/zinc/62/25/13/478622513.db2.gz JOGFGUIKRDRJSH-CQSZACIVSA-N -1 0 347.436 2.856 10 0 EFAERM COc1ccc2c(c1)ncc(C(=O)N1CC3(CCC3)C[C@H]1C)c2O ZINC000571620161 478636556 /nfs/dbraw/zinc/63/65/56/478636556.db2.gz ZQHJTYINECDVIG-GFCCVEGCSA-N -1 0 326.396 2.941 10 0 EFAERM O=C([O-])[C@@H](CNC(=O)[C@H]1CCc2ccccc2C1)Cc1ccccc1 ZINC000563814844 478638619 /nfs/dbraw/zinc/63/86/19/478638619.db2.gz NTYJLNLKIIVWSF-RBUKOAKNSA-N -1 0 337.419 2.851 10 0 EFAERM CO[C@H]1C[C@H](CC(=O)[O-])[N@H+](Cc2cccc(Br)c2C)C1 ZINC000563816209 478639198 /nfs/dbraw/zinc/63/91/98/478639198.db2.gz ATIPNOSHFRKDAY-OLZOCXBDSA-N -1 0 342.233 2.822 10 0 EFAERM CO[C@H](CNC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C ZINC000563850636 478645026 /nfs/dbraw/zinc/64/50/26/478645026.db2.gz HNGXQDRHHFBRDK-HRCADAONSA-N -1 0 340.464 2.722 10 0 EFAERM COc1ccc(CN2CC[C@H]2CN=c2nc(C3CC3)[n-]s2)cc1 ZINC000528136771 478650569 /nfs/dbraw/zinc/65/05/69/478650569.db2.gz CEBNNHCVHXSGJZ-AWEZNQCLSA-N -1 0 330.457 2.532 10 0 EFAERM CC(C)(C)C[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)C(F)(F)F ZINC000542438760 478651541 /nfs/dbraw/zinc/65/15/41/478651541.db2.gz TWDNLDQNXNBWMN-SECBINFHSA-N -1 0 335.374 2.944 10 0 EFAERM COCC1(C(=O)[O-])CCN(C(=O)C2(c3ccccc3C)CCC2)CC1 ZINC000571702527 478659364 /nfs/dbraw/zinc/65/93/64/478659364.db2.gz LZBFFWHVFXFBMQ-UHFFFAOYSA-N -1 0 345.439 2.757 10 0 EFAERM CC[C@@H](NC(=O)NC[C@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC000563926353 478663628 /nfs/dbraw/zinc/66/36/28/478663628.db2.gz XAVLITFURAZBHQ-CMPLNLGQSA-N -1 0 328.796 2.660 10 0 EFAERM CC[C@H](CNC(=O)N[C@H](CC)C(=O)[O-])Oc1ccccc1Cl ZINC000563926356 478663704 /nfs/dbraw/zinc/66/37/04/478663704.db2.gz XAVLITFURAZBHQ-ZYHUDNBSSA-N -1 0 328.796 2.660 10 0 EFAERM C[C@@H]1CCN(C(=O)c2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC000571762185 478673101 /nfs/dbraw/zinc/67/31/01/478673101.db2.gz CAKGWYQCOCUDFX-BXKDBHETSA-N -1 0 326.190 2.632 10 0 EFAERM C[C@H]1C[C@@H](CCNC(=O)N=c2ncn(C3CCCCC3)[n-]2)CCO1 ZINC000542718988 478677881 /nfs/dbraw/zinc/67/78/81/478677881.db2.gz SBURCPKUEGMYIJ-KBPBESRZSA-N -1 0 335.452 2.532 10 0 EFAERM Cc1cc(C)cc([C@@H]2CCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)c1 ZINC000564080286 478689954 /nfs/dbraw/zinc/68/99/54/478689954.db2.gz BNQYHKOWMSSCFV-CYBMUJFWSA-N -1 0 349.408 2.773 10 0 EFAERM O=S(=O)(CC1CC1)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000542800306 478689946 /nfs/dbraw/zinc/68/99/46/478689946.db2.gz PFUYYRTVFWFVIE-NSHDSACASA-N -1 0 329.290 2.898 10 0 EFAERM CSc1nc(=NC(=O)c2ccc([C@H]3CCCOC3)cc2)s[n-]1 ZINC000542803151 478690157 /nfs/dbraw/zinc/69/01/57/478690157.db2.gz UFUDGIWFWIPNLG-LBPRGKRZSA-N -1 0 335.454 2.828 10 0 EFAERM CC(C)CN(CC(=O)[O-])C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000582804660 478691213 /nfs/dbraw/zinc/69/12/13/478691213.db2.gz AGBDKZKQVHKSIJ-CQSZACIVSA-N -1 0 338.379 2.792 10 0 EFAERM O=C([O-])CN(C(=O)NCCOc1cccc2ccccc21)C1CCC1 ZINC000571859757 478691814 /nfs/dbraw/zinc/69/18/14/478691814.db2.gz SLIABGBYQCVDCH-UHFFFAOYSA-N -1 0 342.395 2.867 10 0 EFAERM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000595244009 478698588 /nfs/dbraw/zinc/69/85/88/478698588.db2.gz SCBJYXHHJWKUFA-WBNWAKSLSA-N -1 0 335.381 2.515 10 0 EFAERM Cc1oc(C(=O)[O-])cc1C(=O)NC(C)(C)CCC(=O)OC(C)(C)C ZINC000595243572 478698694 /nfs/dbraw/zinc/69/86/94/478698694.db2.gz MXEVCPABQBMICK-UHFFFAOYSA-N -1 0 339.388 2.917 10 0 EFAERM 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CCc1ccncc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC000593284776 479276491 /nfs/dbraw/zinc/27/64/91/479276491.db2.gz MNLBAYGTUDUZIT-UHFFFAOYSA-N -1 0 334.397 2.540 10 0 EFAERM COc1cc(F)c([C@H](C)Nc2nc(C(=O)[O-])c(C)s2)cc1OC ZINC000574455387 479290334 /nfs/dbraw/zinc/29/03/34/479290334.db2.gz AOVGGRXCCCUIRP-ZETCQYMHSA-N -1 0 340.376 2.901 10 0 EFAERM C/C=C\C[C@H](NC(=O)Nc1ccc2ccn(CCOC)c2c1)C(=O)[O-] ZINC000574509505 479299489 /nfs/dbraw/zinc/29/94/89/479299489.db2.gz FTXLBERIBLCXTR-JZIMQPMSSA-N -1 0 345.399 2.829 10 0 EFAERM c1cnc(N2CCC[C@H](N=c3nc(C4CCCCC4)[n-]s3)C2)nc1 ZINC000574557914 479307931 /nfs/dbraw/zinc/30/79/31/479307931.db2.gz HAUQHFYEYQPLRF-AWEZNQCLSA-N -1 0 344.488 2.879 10 0 EFAERM CCC[C@H](CC)S(=O)(=O)Nc1ccc(OC)cc1C(=O)OC ZINC000574594001 479313708 /nfs/dbraw/zinc/31/37/08/479313708.db2.gz GDMYXOAQDFLGDO-LBPRGKRZSA-N -1 0 329.418 2.802 10 0 EFAERM Cc1c(Br)cc(NS(=O)(=O)C2(C)CC2)cc1C(=O)[O-] ZINC000574641988 479322831 /nfs/dbraw/zinc/32/28/31/479322831.db2.gz 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2.659 10 0 EFAERM CCc1nc(C)c(C(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)s1 ZINC000659176441 481250296 /nfs/dbraw/zinc/25/02/96/481250296.db2.gz YQMTXLRUYKVUNH-ZDUSSCGKSA-N -1 0 334.397 2.578 10 0 EFAERM Cc1nc(-c2ccsc2)ccc1C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000659178646 481251303 /nfs/dbraw/zinc/25/13/03/481251303.db2.gz AGZQLGUNPPCMBN-UHFFFAOYSA-N -1 0 328.393 2.808 10 0 EFAERM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000659178098 481251734 /nfs/dbraw/zinc/25/17/34/481251734.db2.gz IUXIGVQZYZWVJT-UHFFFAOYSA-N -1 0 345.786 2.523 10 0 EFAERM Cc1cc(C(=O)N2CC3CC2(C(=O)[O-])C3)ccc1NC(=O)CC(C)C ZINC000659178105 481251923 /nfs/dbraw/zinc/25/19/23/481251923.db2.gz JARMGHMDOZGAFS-UHFFFAOYSA-N -1 0 344.411 2.669 10 0 EFAERM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000659178117 481251993 /nfs/dbraw/zinc/25/19/93/481251993.db2.gz JJUKKENWGPAOBZ-WWKLZQHZSA-N -1 0 344.194 2.836 10 0 EFAERM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000659178882 481253707 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EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(COC)c2)n1 ZINC000659185915 481258658 /nfs/dbraw/zinc/25/86/58/481258658.db2.gz SLJPIGUUABIKLU-AWEZNQCLSA-N -1 0 331.372 2.708 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)n(CC)c2C)n1 ZINC000659186230 481258663 /nfs/dbraw/zinc/25/86/63/481258663.db2.gz GUFPFKBJTGIMGC-AWEZNQCLSA-N -1 0 332.404 2.999 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ncnc3sccc32)n1 ZINC000659186702 481258737 /nfs/dbraw/zinc/25/87/37/481258737.db2.gz YYAWOIFAVCWZBK-SNVBAGLBSA-N -1 0 345.384 2.566 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](CC)OC2CCCC2)n1 ZINC000659185939 481258810 /nfs/dbraw/zinc/25/88/10/481258810.db2.gz DQMNYHJLAOIZLF-UONOGXRCSA-N -1 0 337.420 2.985 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C2(CCOC)CCCC2)n1 ZINC000659185756 481258860 /nfs/dbraw/zinc/25/88/60/481258860.db2.gz DDYTUNQTWQJREM-ZDUSSCGKSA-N -1 0 337.420 2.844 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(OC)cc2F)n1 ZINC000659185737 481259083 /nfs/dbraw/zinc/25/90/83/481259083.db2.gz RIYPHCGAWVJVGC-ZDUSSCGKSA-N -1 0 335.335 2.709 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](C)Oc2ccccc2)n1 ZINC000659187077 481260551 /nfs/dbraw/zinc/26/05/51/481260551.db2.gz DHCBRWQFELORQP-TZMCWYRMSA-N -1 0 331.372 2.715 10 0 EFAERM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)cc3c[nH]nc32)n1 ZINC000659187534 481260615 /nfs/dbraw/zinc/26/06/15/481260615.db2.gz QTPILHVWFVLZOJ-ZDUSSCGKSA-N -1 0 341.371 2.746 10 0 EFAERM Cc1noc(C)c1CCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659188061 481260694 /nfs/dbraw/zinc/26/06/94/481260694.db2.gz FJCSLFUENUNDRG-PMPSAXMXSA-N -1 0 334.416 2.716 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)COc2ccc(C)cc2)n1 ZINC000659187355 481260713 /nfs/dbraw/zinc/26/07/13/481260713.db2.gz INRLVCYYLNURQR-CQSZACIVSA-N -1 0 331.372 2.635 10 0 EFAERM Cc1ccn2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)nc2c1 ZINC000659187386 481260756 /nfs/dbraw/zinc/26/07/56/481260756.db2.gz APUFNSMKAJMNIG-OFQRWUPVSA-N -1 0 341.411 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O=C([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2CC2CCC2)o1 ZINC000663432257 482231631 /nfs/dbraw/zinc/23/16/31/482231631.db2.gz RNRPCBHTJLSYGI-LBPRGKRZSA-N -1 0 327.402 2.711 10 0 EFAERM Cc1cccc2c1CCC[C@@H]2NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000663431356 482231682 /nfs/dbraw/zinc/23/16/82/482231682.db2.gz GBPMBLLUSWESID-AWEZNQCLSA-N -1 0 335.381 2.642 10 0 EFAERM CC12CC(C1)CN2S(=O)(=O)c1ccc2sc(C(=O)[O-])cc2c1 ZINC000663439360 482237064 /nfs/dbraw/zinc/23/70/64/482237064.db2.gz YNJAIYWKJQFHRC-UHFFFAOYSA-N -1 0 337.422 2.773 10 0 EFAERM Cc1ccccc1Cc1nc(CN(CCC(=O)[O-])CC2CC2)no1 ZINC000652466892 482246567 /nfs/dbraw/zinc/24/65/67/482246567.db2.gz BFUZCVRACMEXQG-UHFFFAOYSA-N -1 0 329.400 2.656 10 0 EFAERM COC[C@@H](CC(C)(C)C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000655302885 482250820 /nfs/dbraw/zinc/25/08/20/482250820.db2.gz ODPXEDPHTJCPJH-CQSZACIVSA-N -1 0 345.443 2.655 10 0 EFAERM Cc1ccccc1Cc1nc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)no1 ZINC000652497366 482265599 /nfs/dbraw/zinc/26/55/99/482265599.db2.gz 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ZINC000666371380 482306260 /nfs/dbraw/zinc/30/62/60/482306260.db2.gz XYKLIDPAAIJVIN-LLVKDONJSA-N -1 0 329.318 2.796 10 0 EFAERM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)c(F)c1 ZINC000666404104 482316048 /nfs/dbraw/zinc/31/60/48/482316048.db2.gz FMAXBXHYLFSLJF-NSHDSACASA-N -1 0 347.305 2.839 10 0 EFAERM O=C(N=c1[n-]ncs1)N1CCC2(CCc3ccccc3C2)CC1 ZINC000649927029 482330868 /nfs/dbraw/zinc/33/08/68/482330868.db2.gz HAYFJFKRZCAICC-UHFFFAOYSA-N -1 0 328.441 2.763 10 0 EFAERM CCCCCc1n[n-]c(=NC(=O)N(CC)[C@H]2CCCOC2)s1 ZINC000649944443 482336198 /nfs/dbraw/zinc/33/61/98/482336198.db2.gz XCUZSMOKQFRDHQ-LBPRGKRZSA-N -1 0 326.466 2.726 10 0 EFAERM O=C(N=c1[n-]nc(-c2ccccc2)s1)N1CC[C@]2(CC2(F)F)C1 ZINC000649951088 482339455 /nfs/dbraw/zinc/33/94/55/482339455.db2.gz DEUHDQXVMSZQKM-AWEZNQCLSA-N -1 0 336.367 2.890 10 0 EFAERM O=C(c1cc(Br)c(F)cc1[O-])N1CCC2(CCO2)CC1 ZINC000649965847 482345028 /nfs/dbraw/zinc/34/50/28/482345028.db2.gz XUMDYYUSAFQUQO-UHFFFAOYSA-N -1 0 344.180 2.689 10 0 EFAERM CC(C)n1cnc(NC(=O)c2cc(Br)c(F)cc2[O-])n1 ZINC000652726124 482347458 /nfs/dbraw/zinc/34/74/58/482347458.db2.gz HECTYZVXPUAIMF-UHFFFAOYSA-N -1 0 343.156 2.719 10 0 EFAERM Cc1cc(=NC(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)[n-]nc1C ZINC000650039938 482374587 /nfs/dbraw/zinc/37/45/87/482374587.db2.gz BWHWDXRAVONAFH-GOSISDBHSA-N -1 0 328.391 2.850 10 0 EFAERM CC1(C)OCC[C@@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666549071 482375499 /nfs/dbraw/zinc/37/54/99/482375499.db2.gz WFWDNZLUOLPPEY-INIZCTEOSA-N -1 0 346.427 2.841 10 0 EFAERM O=C(N=c1ncn(C2CCCCC2)[n-]1)N[C@@H](C1CC1)C1CCOCC1 ZINC000650126918 482399109 /nfs/dbraw/zinc/39/91/09/482399109.db2.gz XNADCPWNSFRBCH-INIZCTEOSA-N -1 0 347.463 2.532 10 0 EFAERM O=C(N=c1nc(-c2ccsc2)[n-]s1)N1CC[C@]2(CC2(F)F)C1 ZINC000650125729 482399147 /nfs/dbraw/zinc/39/91/47/482399147.db2.gz MBPPTWWZNQPDAN-LBPRGKRZSA-N -1 0 342.396 2.952 10 0 EFAERM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)s1 ZINC000650142352 482401779 /nfs/dbraw/zinc/40/17/79/482401779.db2.gz CVZYQGBOCSEFHB-GXSJLCMTSA-N -1 0 334.449 2.605 10 0 EFAERM Cc1ccc2c(c1)[C@H](NC(=O)N=c1ccc(OC(C)C)n[n-]1)CC2 ZINC000650141485 482401799 /nfs/dbraw/zinc/40/17/99/482401799.db2.gz ZDJWJBNWRQPZBE-OAHLLOKOSA-N -1 0 326.400 2.803 10 0 EFAERM O=C([N-]S(=O)(=O)CC(F)(F)F)c1cc(Cl)sc1Cl ZINC000744264502 577239968 /nfs/dbraw/zinc/23/99/68/577239968.db2.gz ZPJOSGXSWYAGME-UHFFFAOYSA-N -1 0 342.147 2.677 10 0 EFAERM Fc1ccccc1CSCCN=c1[n-]c(C2CCOCC2)no1 ZINC000413043990 500675625 /nfs/dbraw/zinc/67/56/25/500675625.db2.gz WOUQOMHGRYZRRS-UHFFFAOYSA-N -1 0 337.420 2.870 10 0 EFAERM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000528922804 500942345 /nfs/dbraw/zinc/94/23/45/500942345.db2.gz BKCOTQSYHPQXGK-XZUYRWCXSA-N -1 0 332.429 2.560 10 0 EFAERM COc1ccccc1N1CC[C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000186861172 534144655 /nfs/dbraw/zinc/14/46/55/534144655.db2.gz GFHYKRQGBZJOJI-GFCCVEGCSA-N -1 0 348.349 2.688 10 0 EFAERM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000337762970 518189005 /nfs/dbraw/zinc/18/90/05/518189005.db2.gz AKOCTRXQTLERMT-UHFFFAOYSA-N -1 0 342.424 2.515 10 0 EFAERM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1Cl ZINC000181201865 518386922 /nfs/dbraw/zinc/38/69/22/518386922.db2.gz GMHUYBWFGYPZKG-UHFFFAOYSA-N -1 0 328.777 2.948 10 0 EFAERM C/C=C/C[C@@H](NC(=O)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)[O-] ZINC000263286698 518533310 /nfs/dbraw/zinc/53/33/10/518533310.db2.gz PSRRZQHLZNDROB-SQRWCISFSA-N -1 0 341.411 2.947 10 0 EFAERM C/C=C/C[C@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)[O-] ZINC000263262004 518544078 /nfs/dbraw/zinc/54/40/78/518544078.db2.gz JXNVBSNNGPMIPI-GJBLVYBDSA-N -1 0 331.372 2.540 10 0 EFAERM C/C=C/C[C@H](NC(=O)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)[O-] ZINC000263286696 518545351 /nfs/dbraw/zinc/54/53/51/518545351.db2.gz PSRRZQHLZNDROB-JFDDCEBESA-N -1 0 341.411 2.947 10 0 EFAERM C/C=C/C[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC000263288002 518546189 /nfs/dbraw/zinc/54/61/89/518546189.db2.gz QFDDCHUXTJEZLX-FAAWYNLUSA-N -1 0 339.395 2.510 10 0 EFAERM CC(C)(C)OCC[C@H](NC(=O)c1nccc2ccccc21)C(=O)[O-] ZINC000262989916 518876731 /nfs/dbraw/zinc/87/67/31/518876731.db2.gz SJLCUFNHQJLFLN-AWEZNQCLSA-N -1 0 330.384 2.623 10 0 EFAERM CC(C)(C)OCC[C@H](NC(=O)C(F)(F)c1ccccc1)C(=O)[O-] ZINC000262118291 518877040 /nfs/dbraw/zinc/87/70/40/518877040.db2.gz GDNOJNLGGUPMHX-LBPRGKRZSA-N -1 0 329.343 2.553 10 0 EFAERM CC(C)CN(CCC(=O)[O-])C(=O)COc1ccc(F)cc1Cl ZINC000178029185 519715436 /nfs/dbraw/zinc/71/54/36/519715436.db2.gz SAZDGYXZBKLJKB-UHFFFAOYSA-N -1 0 331.771 2.817 10 0 EFAERM CC(C)Oc1cccc(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000262944658 519782698 /nfs/dbraw/zinc/78/26/98/519782698.db2.gz KYMAVPOCYSKLCP-QILLFSRXSA-N -1 0 331.412 2.728 10 0 EFAERM CC(C)c1noc(-c2ccnc(N3C[C@@H](C)C[C@H](C(=O)[O-])C3)c2)n1 ZINC000263158682 519899865 /nfs/dbraw/zinc/89/98/65/519899865.db2.gz IDDXGLVHGIZARA-AAEUAGOBSA-N -1 0 330.388 2.802 10 0 EFAERM CCOCCOCc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000263182601 520003023 /nfs/dbraw/zinc/00/30/23/520003023.db2.gz HMDHRIGXBFEVBZ-CABCVRRESA-N -1 0 335.400 2.679 10 0 EFAERM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000078991644 520306486 /nfs/dbraw/zinc/30/64/86/520306486.db2.gz QXQZXUUYLLXDRY-UHFFFAOYSA-N -1 0 348.424 2.684 10 0 EFAERM CCCOc1ccc(C(=O)CCC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000263240087 520330203 /nfs/dbraw/zinc/33/02/03/520330203.db2.gz DVLHXTRWAQKSHF-CYBMUJFWSA-N -1 0 335.400 2.617 10 0 EFAERM CCC[C@@H](CNC(=O)COc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000263180095 520706803 /nfs/dbraw/zinc/70/68/03/520706803.db2.gz LOLVWSMUNZCSGG-VIFPVBQESA-N -1 0 334.199 2.989 10 0 EFAERM CCOc1ccc(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000261953517 520935975 /nfs/dbraw/zinc/93/59/75/520935975.db2.gz WRMFUYAUNPFVGV-OIISXLGYSA-N -1 0 331.412 2.872 10 0 EFAERM CCCc1cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])n[nH]1 ZINC000081959170 521379695 /nfs/dbraw/zinc/37/96/95/521379695.db2.gz NMUHBKSQMXWSNA-UHFFFAOYSA-N -1 0 329.335 2.645 10 0 EFAERM CCOC(=O)c1c(C)csc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000263018721 521394373 /nfs/dbraw/zinc/39/43/73/521394373.db2.gz IUOBWACRMVDIJJ-UHFFFAOYSA-N -1 0 342.417 2.998 10 0 EFAERM CCOC(=O)c1cc(C)sc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263092850 521430548 /nfs/dbraw/zinc/43/05/48/521430548.db2.gz STWZTVZSADQMJR-SNVBAGLBSA-N -1 0 340.401 2.562 10 0 EFAERM CCOc1ccccc1C(F)(F)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000262965607 521466043 /nfs/dbraw/zinc/46/60/43/521466043.db2.gz OVWGECUXHKAEHI-GFCCVEGCSA-N -1 0 327.327 2.547 10 0 EFAERM CCC(CC)n1nccc1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000236735740 521648670 /nfs/dbraw/zinc/64/86/70/521648670.db2.gz SXMMIMGDUJYNIZ-HNNXBMFYSA-N -1 0 343.427 2.918 10 0 EFAERM CCC(CC)n1nccc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000236735515 521648990 /nfs/dbraw/zinc/64/89/90/521648990.db2.gz SXMMIMGDUJYNIZ-OAHLLOKOSA-N -1 0 343.427 2.918 10 0 EFAERM CCCn1ncc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1C1CC1 ZINC000263125026 521672154 /nfs/dbraw/zinc/67/21/54/521672154.db2.gz MKILCJHMXUWNSC-SCLBCKFNSA-N -1 0 346.431 2.889 10 0 EFAERM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc(F)c([O-])c(Cl)c1 ZINC000187218697 534605745 /nfs/dbraw/zinc/60/57/45/534605745.db2.gz LMANBYDAYITMHV-LLVKDONJSA-N -1 0 343.782 2.990 10 0 EFAERM Cc1nc([C@H]2CCCN2CC(=O)[N-]OCc2ccccc2)cs1 ZINC000189774951 534608841 /nfs/dbraw/zinc/60/88/41/534608841.db2.gz DSQWYNGMFUYKQG-MRXNPFEDSA-N -1 0 331.441 2.836 10 0 EFAERM CC[C@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1)C(C)C ZINC000263266513 522091504 /nfs/dbraw/zinc/09/15/04/522091504.db2.gz WZZDKPDDHXVUGY-UNEWFSDZSA-N -1 0 325.449 2.787 10 0 EFAERM CC[C@H](CSC)NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263231521 522278727 /nfs/dbraw/zinc/27/87/27/522278727.db2.gz MLNHSHFRKGATON-CABCVRRESA-N -1 0 338.473 2.903 10 0 EFAERM COC1(CNC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CCCC1 ZINC000263344920 522618599 /nfs/dbraw/zinc/61/85/99/522618599.db2.gz GICBMVKPXRELPT-INIZCTEOSA-N -1 0 348.443 2.721 10 0 EFAERM CN(CCCC(=O)[O-])C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000237289163 522724955 /nfs/dbraw/zinc/72/49/55/522724955.db2.gz SRBCSWYGLJPQOR-UHFFFAOYSA-N -1 0 325.364 2.854 10 0 EFAERM CCc1noc(C)c1NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000181260782 522875272 /nfs/dbraw/zinc/87/52/72/522875272.db2.gz KMSJXYKQPSQVAL-UHFFFAOYSA-N -1 0 342.355 2.698 10 0 EFAERM COCc1cc(Nc2cccc(C(=O)[O-])c2)nc(-c2cnccn2)n1 ZINC000070455732 522937852 /nfs/dbraw/zinc/93/78/52/522937852.db2.gz JUZKCGGKYBKUFY-UHFFFAOYSA-N -1 0 337.339 2.522 10 0 EFAERM CCc1oc(C(=O)N2CCC(n3ncc(C(=O)[O-])c3C)CC2)cc1C ZINC000263259205 522974346 /nfs/dbraw/zinc/97/43/46/522974346.db2.gz WEKMILJFERTLTD-UHFFFAOYSA-N -1 0 345.399 2.831 10 0 EFAERM CCc1oc(C(=O)NCCCOc2ccc(F)cc2)cc1C(=O)[O-] ZINC000261662391 522987300 /nfs/dbraw/zinc/98/73/00/522987300.db2.gz OAMUYSFXZAIFCJ-UHFFFAOYSA-N -1 0 335.331 2.878 10 0 EFAERM CCc1oc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1C ZINC000263154154 522996076 /nfs/dbraw/zinc/99/60/76/522996076.db2.gz VABIMSHELUQAKA-HNNXBMFYSA-N -1 0 335.331 2.854 10 0 EFAERM COc1ccc(-n2cc([O-])c(C(=O)N[C@@H](C)c3ccc(C)o3)n2)cc1 ZINC000176998153 523331656 /nfs/dbraw/zinc/33/16/56/523331656.db2.gz GYVFFRDBUIGUTM-LBPRGKRZSA-N -1 0 341.367 2.979 10 0 EFAERM CC(=O)Nc1cc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)ccc1F ZINC000263465384 534704947 /nfs/dbraw/zinc/70/49/47/534704947.db2.gz GBBQJSNNYCMRKK-APPDUMDISA-N -1 0 349.362 2.503 10 0 EFAERM COc1ccc(C(=O)CCC(=O)NC2(C(=O)[O-])CCC(C)CC2)cc1 ZINC000263237059 523576906 /nfs/dbraw/zinc/57/69/06/523576906.db2.gz DCFHGBRYNHNANW-UHFFFAOYSA-N -1 0 347.411 2.808 10 0 EFAERM CO[C@@H]1CCC[C@H]1CNC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263168362 523653416 /nfs/dbraw/zinc/65/34/16/523653416.db2.gz CTYVBDBJJJKSKI-GVDBMIGSSA-N -1 0 348.443 2.577 10 0 EFAERM COc1ccc(C(=O)N[C@H](C)CCC(=O)[O-])cc1OC1CCCC1 ZINC000263027289 523732942 /nfs/dbraw/zinc/73/29/42/523732942.db2.gz YZXBUUCONBLJCT-GFCCVEGCSA-N -1 0 335.400 3.000 10 0 EFAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)C1 ZINC000262120757 523748204 /nfs/dbraw/zinc/74/82/04/523748204.db2.gz IPSCUHRMAOIVRC-UNEWFSDZSA-N -1 0 349.427 2.586 10 0 EFAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC000263069645 523752007 /nfs/dbraw/zinc/75/20/07/523752007.db2.gz PBRJGKIWWPBOJU-TUKIKUTGSA-N -1 0 339.819 2.609 10 0 EFAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC000263194993 523768839 /nfs/dbraw/zinc/76/88/39/523768839.db2.gz YAPIGLLSJGNKIU-IAGOWNOFSA-N -1 0 333.428 2.518 10 0 EFAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000263108797 523769182 /nfs/dbraw/zinc/76/91/82/523769182.db2.gz ROKGUGKGMNPTND-NXEZZACHSA-N -1 0 346.210 2.627 10 0 EFAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2ccccc2SC(C)C)C1 ZINC000262989622 524011816 /nfs/dbraw/zinc/01/18/16/524011816.db2.gz KAKIXWPZQDKEPR-STQMWFEESA-N -1 0 337.441 2.891 10 0 EFAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000263073507 524011829 /nfs/dbraw/zinc/01/18/29/524011829.db2.gz PINGONMKVYFGSV-RYUDHWBXSA-N -1 0 335.331 2.585 10 0 EFAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC000263168420 524012048 /nfs/dbraw/zinc/01/20/48/524012048.db2.gz VYYAOSZWUWRHOJ-KBPBESRZSA-N -1 0 331.368 2.754 10 0 EFAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2ccc(OCCC(C)C)cc2)C1 ZINC000263189350 524012111 /nfs/dbraw/zinc/01/21/11/524012111.db2.gz XPBDAOUNCQLARS-RDJZCZTQSA-N -1 0 349.427 2.816 10 0 EFAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000263073297 524012349 /nfs/dbraw/zinc/01/23/49/524012349.db2.gz PGVZTVSJVHUGHC-STQMWFEESA-N -1 0 346.408 2.514 10 0 EFAERM CCc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)cc1 ZINC000119830961 524015623 /nfs/dbraw/zinc/01/56/23/524015623.db2.gz QSUGRNKOYDRCCR-UHFFFAOYSA-N -1 0 328.397 2.835 10 0 EFAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)C(C)(C)c2cccc(Cl)c2)C1 ZINC000262938890 524018401 /nfs/dbraw/zinc/01/84/01/524018401.db2.gz GNJAISNSPLJZGQ-KGLIPLIRSA-N -1 0 339.819 2.708 10 0 EFAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000263005190 524018697 /nfs/dbraw/zinc/01/86/97/524018697.db2.gz LAUPBYYEBDTNSF-OLZOCXBDSA-N -1 0 346.408 2.514 10 0 EFAERM COc1cccc([C@H](C)C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])c1 ZINC000262173601 524141934 /nfs/dbraw/zinc/14/19/34/524141934.db2.gz LQXYQBBIGCYZCD-WFASDCNBSA-N -1 0 337.416 2.573 10 0 EFAERM C[C@H](CCOc1ccccc1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000262880081 524221729 /nfs/dbraw/zinc/22/17/29/524221729.db2.gz GRUGQPLMRAJHFZ-OHFALNGGSA-N -1 0 331.412 2.803 10 0 EFAERM Cc1cc(C)c(C(=O)N2CCC(n3ncc(C(=O)[O-])c3C)CC2)o1 ZINC000263209249 524222456 /nfs/dbraw/zinc/22/24/56/524222456.db2.gz ORYLXSQIBCVENG-UHFFFAOYSA-N -1 0 331.372 2.577 10 0 EFAERM Cc1cccc(C)c1CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262985234 524254233 /nfs/dbraw/zinc/25/42/33/524254233.db2.gz UTDAVEGGNUCBCX-QGZVFWFLSA-N -1 0 329.371 2.970 10 0 EFAERM C[C@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000263308971 524274346 /nfs/dbraw/zinc/27/43/46/524274346.db2.gz WPXNXEBSDGKCRC-BONVTDFDSA-N -1 0 329.331 2.537 10 0 EFAERM C[C@H](CN(C)C(=O)N[C@H](c1ccccc1)c1ccccn1)C(=O)[O-] ZINC000263062866 524282112 /nfs/dbraw/zinc/28/21/12/524282112.db2.gz SFGOUMPBIHMJCF-CZUORRHYSA-N -1 0 327.384 2.533 10 0 EFAERM C[C@H](CN(C)C(=O)N[C@@H](C)c1ccccc1Br)C(=O)[O-] ZINC000263048823 524282220 /nfs/dbraw/zinc/28/22/20/524282220.db2.gz QVAZESABTVRGRG-ZJUUUORDSA-N -1 0 343.221 2.872 10 0 EFAERM C[C@H](CN(C)C(=O)N[C@H](Cc1ccccn1)c1ccccc1)C(=O)[O-] ZINC000263338769 524283487 /nfs/dbraw/zinc/28/34/87/524283487.db2.gz DWLVIYHIHACWHN-RHSMWYFYSA-N -1 0 341.411 2.728 10 0 EFAERM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000263254183 524339841 /nfs/dbraw/zinc/33/98/41/524339841.db2.gz TXPFZTSOLSPYIW-GXTWGEPZSA-N -1 0 340.379 2.780 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1OCc1cscn1 ZINC000237527861 524443141 /nfs/dbraw/zinc/44/31/41/524443141.db2.gz HFALLRBMWZRUFZ-NSHDSACASA-N -1 0 334.397 2.705 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(OCc2ccncc2)cc1 ZINC000263277324 524443620 /nfs/dbraw/zinc/44/36/20/524443620.db2.gz WVVPZZQIXNUUHR-ZDUSSCGKSA-N -1 0 328.368 2.644 10 0 EFAERM C[C@@H]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)[C@H](C(=O)[O-])C1 ZINC000262998798 524453370 /nfs/dbraw/zinc/45/33/70/524453370.db2.gz MCESCVPXRCVCIM-ABAIWWIYSA-N -1 0 346.358 2.735 10 0 EFAERM C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@H](c2ccc(F)cc2)O1 ZINC000263177945 524518316 /nfs/dbraw/zinc/51/83/16/524518316.db2.gz GWZWPDZFOPHNOQ-ZGMNHVEMSA-N -1 0 335.375 2.615 10 0 EFAERM C[C@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC[C@H]1C(=O)[O-] ZINC000262829630 524545000 /nfs/dbraw/zinc/54/50/00/524545000.db2.gz CCJGCXIVIPRUQQ-SMDDNHRTSA-N -1 0 347.802 2.709 10 0 EFAERM C[C@@H]1CC[C@@H](C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)O1 ZINC000263077477 524557908 /nfs/dbraw/zinc/55/79/08/524557908.db2.gz KMCGRNFXSYQFHF-KAOXEZKKSA-N -1 0 337.803 2.534 10 0 EFAERM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000263241847 524565174 /nfs/dbraw/zinc/56/51/74/524565174.db2.gz RSPHCPPPXAAOFG-DGCLKSJQSA-N -1 0 346.358 2.735 10 0 EFAERM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(C2CC2)n[nH]1)C(=O)[O-] ZINC000237491686 524579021 /nfs/dbraw/zinc/57/90/21/524579021.db2.gz UZUXAKNEWBZZNB-LBPRGKRZSA-N -1 0 327.384 2.650 10 0 EFAERM Cc1cccc(OCCC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1C ZINC000262233923 524726137 /nfs/dbraw/zinc/72/61/37/524726137.db2.gz MUSLKKQHMJBKOX-HNAYVOBHSA-N -1 0 331.412 2.786 10 0 EFAERM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccccc2OC2CCC2)C1 ZINC000263329771 524773275 /nfs/dbraw/zinc/77/32/75/524773275.db2.gz LGJLPCOCNDOFBQ-DZGCQCFKSA-N -1 0 346.427 2.870 10 0 EFAERM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c1 ZINC000074049880 524836622 /nfs/dbraw/zinc/83/66/22/524836622.db2.gz KFBIWVFJVKSCEO-UHFFFAOYSA-N -1 0 332.360 2.720 10 0 EFAERM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000263129480 524840565 /nfs/dbraw/zinc/84/05/65/524840565.db2.gz CUDGGFBIAYPYDN-APYUEPQZSA-N -1 0 344.411 2.606 10 0 EFAERM Cc1cc(Cl)cc([N-]S(=O)(=O)c2c(Cl)cnn2C)c1O ZINC000227969815 524876256 /nfs/dbraw/zinc/87/62/56/524876256.db2.gz PZEKAAKCTMJLHE-UHFFFAOYSA-N -1 0 336.200 2.542 10 0 EFAERM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000119837241 525000567 /nfs/dbraw/zinc/00/05/67/525000567.db2.gz BCRLBNCPYKVJKQ-UHFFFAOYSA-N -1 0 332.360 2.720 10 0 EFAERM C[C@H](NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(F)cc1F ZINC000262924798 525046860 /nfs/dbraw/zinc/04/68/60/525046860.db2.gz FXUACEDUKSDAFP-PSVSLLHZSA-N -1 0 338.354 2.922 10 0 EFAERM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)COc1ccc(Cl)c2cccnc12 ZINC000263253973 525098167 /nfs/dbraw/zinc/09/81/67/525098167.db2.gz VPJJGLKTBMGBHO-WDEREUQCSA-N -1 0 348.786 2.589 10 0 EFAERM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nccc(OCc3ccccc3)n2)C1 ZINC000263113858 525196257 /nfs/dbraw/zinc/19/62/57/525196257.db2.gz DQUWKURLIIBQEH-UKRRQHHQSA-N -1 0 327.384 2.603 10 0 EFAERM COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000263173593 525247670 /nfs/dbraw/zinc/24/76/70/525247670.db2.gz GGRVGQGYAPMERZ-ILXRZTDVSA-N -1 0 347.411 2.868 10 0 EFAERM Cc1ccccc1SCC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262101172 525338036 /nfs/dbraw/zinc/33/80/36/525338036.db2.gz HNGWBOGJOQKMGG-ZDUSSCGKSA-N -1 0 339.457 2.862 10 0 EFAERM C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1nnc2n1CCCC2 ZINC000134052301 525337997 /nfs/dbraw/zinc/33/79/97/525337997.db2.gz SSUPYBBRMMFFOX-SECBINFHSA-N -1 0 343.412 2.535 10 0 EFAERM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CSCc1cccnc1 ZINC000237589246 525363862 /nfs/dbraw/zinc/36/38/62/525363862.db2.gz SNYBJPLCEJVVJH-MRXNPFEDSA-N -1 0 344.436 2.955 10 0 EFAERM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCCCOCc2ccccc2)C1 ZINC000263342547 525366068 /nfs/dbraw/zinc/36/60/68/525366068.db2.gz NUFPTGGYECZQFY-WBVHZDCISA-N -1 0 348.443 2.736 10 0 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COc1ccc(Cn2ccc(NC(=O)CCCCC(=O)[O-])n2)cc1 ZINC000655541833 546478698 /nfs/dbraw/zinc/47/86/98/546478698.db2.gz DWDQPPCIPJEXOO-UHFFFAOYSA-N -1 0 331.372 2.524 10 0 EFAERM Cc1c2ccccc2c(=O)[nH]c1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000655544635 546479282 /nfs/dbraw/zinc/47/92/82/546479282.db2.gz POTVDNFQAWDWJD-CMPLNLGQSA-N -1 0 328.368 2.574 10 0 EFAERM O=C([O-])CCCCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000655554603 546482721 /nfs/dbraw/zinc/48/27/21/546482721.db2.gz VYIFKAKJJJYXSH-ZDUSSCGKSA-N -1 0 338.835 2.928 10 0 EFAERM Cc1ccccc1-n1ncc(C(=O)NC[C@@H](C)C(=O)[O-])c1C(F)F ZINC000655559182 546484316 /nfs/dbraw/zinc/48/43/16/546484316.db2.gz OATNNASRYXNKSN-SNVBAGLBSA-N -1 0 337.326 2.569 10 0 EFAERM Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc2)n1 ZINC000655569087 546487114 /nfs/dbraw/zinc/48/71/14/546487114.db2.gz XNPFKAOHHPVXOF-QGZVFWFLSA-N -1 0 343.427 2.635 10 0 EFAERM C[C@H](NC(=O)[C@H]1OCCc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575740 546489544 /nfs/dbraw/zinc/48/95/44/546489544.db2.gz LPVKZGWRDBIGLP-KSYCFECVSA-N -1 0 331.412 2.552 10 0 EFAERM Cc1c(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cnn1CC(C)C ZINC000655576870 546490163 /nfs/dbraw/zinc/49/01/63/546490163.db2.gz UFQKBHRKFKALTR-BYCMXARLSA-N -1 0 335.448 2.713 10 0 EFAERM CC(C)Oc1cccnc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579666 546491017 /nfs/dbraw/zinc/49/10/17/546491017.db2.gz VWXCDEDVKGLYFN-FRRDWIJNSA-N -1 0 334.416 2.734 10 0 EFAERM CCc1noc(CC)c1CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579491 546491287 /nfs/dbraw/zinc/49/12/87/546491287.db2.gz QYMMNDFOIXWEBS-KGYLQXTDSA-N -1 0 336.432 2.594 10 0 EFAERM COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581824 546491848 /nfs/dbraw/zinc/49/18/48/546491848.db2.gz CKRFDCMIYLFYJU-GVAFMPQTSA-N -1 0 349.427 2.714 10 0 EFAERM C[C@@H](NC(=O)[C@@H](C)COc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581933 546491872 /nfs/dbraw/zinc/49/18/72/546491872.db2.gz PMUNZKPUZIAWIG-LQKXBSAESA-N -1 0 333.428 2.953 10 0 EFAERM C[C@H](NC(=O)[C@H]1Cc2ccccc2S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582092 546492195 /nfs/dbraw/zinc/49/21/95/546492195.db2.gz HKSCEVKRRMSLMK-MUYACECFSA-N -1 0 333.453 2.955 10 0 EFAERM CC(=O)c1cccc(OCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655583656 546492200 /nfs/dbraw/zinc/49/22/00/546492200.db2.gz MLHAUUBAMVYDEQ-KNXALSJPSA-N -1 0 347.411 2.520 10 0 EFAERM C[C@@H](NC(=O)Cc1cccc(F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582629 546492285 /nfs/dbraw/zinc/49/22/85/546492285.db2.gz NOZBCXCUSVAPED-ADEWGFFLSA-N -1 0 325.355 2.759 10 0 EFAERM CCOc1ccccc1OCC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583880 546492894 /nfs/dbraw/zinc/49/28/94/546492894.db2.gz CFNKULCFNHAPKM-HZSPNIEDSA-N -1 0 349.427 2.716 10 0 EFAERM CO[C@H](C)CS(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(F)F ZINC000655586803 546493687 /nfs/dbraw/zinc/49/36/87/546493687.db2.gz ZFYVDNNGOZQKIQ-SNVBAGLBSA-N -1 0 345.371 2.587 10 0 EFAERM O=C([O-])c1cccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000655586994 546494222 /nfs/dbraw/zinc/49/42/22/546494222.db2.gz JCAHNIBKLDYIIA-NWDGAFQWSA-N -1 0 331.290 2.615 10 0 EFAERM C[C@@H](CCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-])c1ccccc1 ZINC000655596155 546497205 /nfs/dbraw/zinc/49/72/05/546497205.db2.gz BMJLRBDWEDRBIB-YOEHRIQHSA-N -1 0 326.396 2.777 10 0 EFAERM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655596567 546497419 /nfs/dbraw/zinc/49/74/19/546497419.db2.gz HJJNPQAKRSXRPK-MLGOLLRUSA-N -1 0 346.814 2.726 10 0 EFAERM CC[C@@H](C)Oc1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1 ZINC000655598480 546498624 /nfs/dbraw/zinc/49/86/24/546498624.db2.gz ISPYDBNBFSVSKD-CXAGYDPISA-N -1 0 342.395 2.685 10 0 EFAERM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655598997 546498825 /nfs/dbraw/zinc/49/88/25/546498825.db2.gz PEAJZKKYCQPPMN-PBHICJAKSA-N -1 0 326.396 2.696 10 0 EFAERM Cc1ccc([C@H]([N-]S(=O)(=O)CC[C@H]2CCCO2)C(F)(F)F)o1 ZINC000655659856 546518833 /nfs/dbraw/zinc/51/88/33/546518833.db2.gz CHDVHPCNISWZSS-PWSUYJOCSA-N -1 0 341.351 2.680 10 0 EFAERM CO[C@@H](CS(=O)(=O)[N-][C@H](c1ccc(C)o1)C(F)(F)F)C1CC1 ZINC000655660019 546519121 /nfs/dbraw/zinc/51/91/21/546519121.db2.gz IGVPWAUQSMXPMK-NWDGAFQWSA-N -1 0 341.351 2.536 10 0 EFAERM Cc1csc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000655661763 546519602 /nfs/dbraw/zinc/51/96/02/546519602.db2.gz HZOQUVBIRWDWPH-NXEZZACHSA-N -1 0 343.392 2.835 10 0 EFAERM O=S(=O)(CCC1CCCC1)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655662875 546519705 /nfs/dbraw/zinc/51/97/05/546519705.db2.gz XQQVCXZFHGHCND-OLZOCXBDSA-N -1 0 343.411 2.986 10 0 EFAERM O=S(=O)(Cc1ccccc1)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655661411 546520027 /nfs/dbraw/zinc/52/00/27/546520027.db2.gz DMWNOGLEUHWSLZ-CHWSQXEVSA-N -1 0 337.363 2.606 10 0 EFAERM Cc1ccccc1CCNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655859222 546613664 /nfs/dbraw/zinc/61/36/64/546613664.db2.gz HHTSEMDPWDFCGD-CWRNSKLLSA-N -1 0 332.444 2.972 10 0 EFAERM CO[C@@H](CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655861288 546614399 /nfs/dbraw/zinc/61/43/99/546614399.db2.gz OODTWLWDRUPFCD-BVUBDWEXSA-N -1 0 348.443 2.809 10 0 EFAERM CO[C@H](CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655861292 546614558 /nfs/dbraw/zinc/61/45/58/546614558.db2.gz OODTWLWDRUPFCD-SLBVQIDZSA-N -1 0 348.443 2.809 10 0 EFAERM C[C@H](Cc1cccc(O)c1)NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655865168 546615963 /nfs/dbraw/zinc/61/59/63/546615963.db2.gz LDADNOWIVNOXPG-AVRGHOLYSA-N -1 0 348.443 2.758 10 0 EFAERM C[C@@H](NC(=O)NCc1cccc(N(C)C)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655867154 546616417 /nfs/dbraw/zinc/61/64/17/546616417.db2.gz VAZKMWDOILXXQC-UHOFOFEASA-N -1 0 347.459 2.687 10 0 EFAERM C[C@H](NC(=O)NCc1ccc2c(c1)CCO2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655865913 546616716 /nfs/dbraw/zinc/61/67/16/546616716.db2.gz LORAPZBYMPITMF-TUKIKUTGSA-N -1 0 346.427 2.556 10 0 EFAERM CO[C@]1(C)C[C@H](NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1(C)C ZINC000655868836 546618603 /nfs/dbraw/zinc/61/86/03/546618603.db2.gz HVYVPSIIIUVCCA-YVHNNKAESA-N -1 0 340.464 2.625 10 0 EFAERM CC(C)[C@@H](CNC(=O)NCc1ccccc1OC1CCC1)C(=O)[O-] ZINC000655869872 546618902 /nfs/dbraw/zinc/61/89/02/546618902.db2.gz MEJHVVQINLIACU-OAHLLOKOSA-N -1 0 334.416 2.774 10 0 EFAERM CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C)C(=O)[O-] ZINC000655871850 546619175 /nfs/dbraw/zinc/61/91/75/546619175.db2.gz IIASYHWCERNYJI-HLSYRSCKSA-N -1 0 334.416 2.596 10 0 EFAERM C[C@@H](NC(=O)NC[C@@]1(C)CCCS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655870994 546619673 /nfs/dbraw/zinc/61/96/73/546619673.db2.gz AMJOLOVMQWCVLS-AZKPJATDSA-N -1 0 328.478 2.707 10 0 EFAERM CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C)C(=O)[O-] ZINC000655871852 546619792 /nfs/dbraw/zinc/61/97/92/546619792.db2.gz IIASYHWCERNYJI-UNIGVISCSA-N -1 0 334.416 2.596 10 0 EFAERM C[C@@H](NC(=O)NC[C@@H]1CCCCS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655874552 546621511 /nfs/dbraw/zinc/62/15/11/546621511.db2.gz PVDGCKJEOLUHGL-MROQNXINSA-N -1 0 328.478 2.707 10 0 EFAERM C[C@H](NC(=O)N[C@H]1c2ccccc2O[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879315 546623337 /nfs/dbraw/zinc/62/33/37/546623337.db2.gz OXUDUCSIPUHQQB-MPRPFWIISA-N -1 0 346.427 2.943 10 0 EFAERM Cc1cc(C)c(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cn1 ZINC000655879234 546623367 /nfs/dbraw/zinc/62/33/67/546623367.db2.gz LJYWTIVYZCIKDJ-VHDGCEQUSA-N -1 0 333.432 2.633 10 0 EFAERM CC(C)CN(C(=O)NC[C@@H](C)C(=O)[O-])[C@H]1CCCc2cccnc21 ZINC000655885741 546626143 /nfs/dbraw/zinc/62/61/43/546626143.db2.gz YNUWBLYYFBAPOA-HIFRSBDPSA-N -1 0 333.432 2.847 10 0 EFAERM CC(C)[C@H](CNC(=O)N(C)Cc1ccc(F)cc1Cl)C(=O)[O-] ZINC000655891903 546627702 /nfs/dbraw/zinc/62/77/02/546627702.db2.gz LIGTWDWDSRIOIP-LBPRGKRZSA-N -1 0 330.787 2.977 10 0 EFAERM CC(C)[C@@H](CNC(=O)N1CC(Cc2ccccc2Cl)C1)C(=O)[O-] ZINC000655893384 546627946 /nfs/dbraw/zinc/62/79/46/546627946.db2.gz MIPRMSRIDUTSOP-CQSZACIVSA-N -1 0 338.835 2.881 10 0 EFAERM C[C@H](NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900701 546630804 /nfs/dbraw/zinc/63/08/04/546630804.db2.gz VQKFLBGIWBMFIG-DKQGBHPVSA-N -1 0 344.402 2.809 10 0 EFAERM COc1ccc2c(c1)CCN2C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906029 546631272 /nfs/dbraw/zinc/63/12/72/546631272.db2.gz IALOTZJQYZEYBU-TUKIKUTGSA-N -1 0 346.427 2.903 10 0 EFAERM C[C@@H](NC(=O)N1CC[C@@H](c2ccco2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906002 546631426 /nfs/dbraw/zinc/63/14/26/546631426.db2.gz HPPLXOXMEPGPFG-YIYPIFLZSA-N -1 0 334.416 2.914 10 0 EFAERM CCCCN(CCOC)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905820 546631580 /nfs/dbraw/zinc/63/15/80/546631580.db2.gz DMBLEEBRERWAMD-HZSPNIEDSA-N -1 0 328.453 2.580 10 0 EFAERM C[C@@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906066 546632256 /nfs/dbraw/zinc/63/22/56/546632256.db2.gz ITXMMWCFFQFQHC-RQJABVFESA-N -1 0 348.447 2.782 10 0 EFAERM C[C@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906065 546632354 /nfs/dbraw/zinc/63/23/54/546632354.db2.gz ITXMMWCFFQFQHC-IGQOVBAYSA-N -1 0 348.447 2.782 10 0 EFAERM C[C@H](Nc1ncc(Br)cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091331 546676159 /nfs/dbraw/zinc/67/61/59/546676159.db2.gz CQEQBLXCUUUZIZ-UJNFCWOMSA-N -1 0 328.210 2.786 10 0 EFAERM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nccc(N3CCCC(C)(C)C3)n2)C1 ZINC000656094305 546676839 /nfs/dbraw/zinc/67/68/39/546676839.db2.gz PIBFNBXNZKFSQE-KGLIPLIRSA-N -1 0 332.448 2.650 10 0 EFAERM C[C@H]1CCN(c2nccc(N3CCCC(C)(C)C3)n2)C[C@H]1C(=O)[O-] ZINC000656093977 546676976 /nfs/dbraw/zinc/67/69/76/546676976.db2.gz MBIDDISIARTOJI-UONOGXRCSA-N -1 0 332.448 2.650 10 0 EFAERM Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])ccc1Cl ZINC000656157514 546703083 /nfs/dbraw/zinc/70/30/83/546703083.db2.gz OABLUASTKINQAJ-OCCSQVGLSA-N -1 0 331.821 2.570 10 0 EFAERM Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])ccc1Cl ZINC000656161076 546704441 /nfs/dbraw/zinc/70/44/41/546704441.db2.gz QTDXDELEGCLKML-WCQYABFASA-N -1 0 331.821 2.570 10 0 EFAERM Cc1sc2c(cccc2C)c1S(=O)(=O)N[C@@H](CCF)C(=O)[O-] ZINC000656163875 546704932 /nfs/dbraw/zinc/70/49/32/546704932.db2.gz COSGYXKKLDKGTL-NSHDSACASA-N -1 0 345.417 2.609 10 0 EFAERM Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2C[C@@H](C)C(=O)[O-])c1 ZINC000656167534 546706045 /nfs/dbraw/zinc/70/60/45/546706045.db2.gz DMXBNDAUYMFEBA-CABCVRRESA-N -1 0 339.457 2.957 10 0 EFAERM C[C@H](C[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000656167482 546706155 /nfs/dbraw/zinc/70/61/55/546706155.db2.gz DJCCYVADFGXIFR-ZYHUDNBSSA-N -1 0 347.383 2.619 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[C@@H](C)C(=O)[O-])cc1C ZINC000656170819 546707602 /nfs/dbraw/zinc/70/76/02/546707602.db2.gz SASYVWCIGMBDIT-CABCVRRESA-N -1 0 339.457 2.957 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[C@@H](C)C(=O)[O-])cc1F ZINC000656171829 546707924 /nfs/dbraw/zinc/70/79/24/546707924.db2.gz ZFQMQCFDRYYGAG-CHWSQXEVSA-N -1 0 343.420 2.788 10 0 EFAERM C[C@@H](C[C@@H]1CCCCN1S(=O)(=O)CCc1ccccc1)C(=O)[O-] ZINC000656171330 546708033 /nfs/dbraw/zinc/70/80/33/546708033.db2.gz WXVHAJMPMAHIMC-HOCLYGCPSA-N -1 0 339.457 2.524 10 0 EFAERM Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1C[C@H](C)C(=O)[O-] ZINC000656173891 546708266 /nfs/dbraw/zinc/70/82/66/546708266.db2.gz NHTYMELABLBMFE-AAEUAGOBSA-N -1 0 343.420 2.788 10 0 EFAERM CCc1ccccc1S(=O)(=O)N1CCCC[C@H]1C[C@@H](C)C(=O)[O-] ZINC000656173313 546708552 /nfs/dbraw/zinc/70/85/52/546708552.db2.gz HVQBPZRVFFLWCZ-HIFRSBDPSA-N -1 0 339.457 2.903 10 0 EFAERM Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C[C@@H](C)C(=O)[O-])ccc1F ZINC000656171977 546708828 /nfs/dbraw/zinc/70/88/28/546708828.db2.gz ZYFSFRAWKSVJDK-CHWSQXEVSA-N -1 0 343.420 2.788 10 0 EFAERM Cc1csc(S(=O)(=O)N2CCCC[C@H]2C[C@H](C)C(=O)[O-])c1 ZINC000656174333 546709032 /nfs/dbraw/zinc/70/90/32/546709032.db2.gz RAJVXOYYNICONE-RYUDHWBXSA-N -1 0 331.459 2.711 10 0 EFAERM Cc1cc(S(=O)(=O)N2CCCC[C@H]2C[C@H](C)C(=O)[O-])c(C)o1 ZINC000656174867 546709136 /nfs/dbraw/zinc/70/91/36/546709136.db2.gz YQRTXCYUNFEILF-GWCFXTLKSA-N -1 0 329.418 2.550 10 0 EFAERM Cc1cc(S(=O)(=O)N2CCCC[C@H]2C[C@@H](C)C(=O)[O-])c(C)o1 ZINC000656174869 546709403 /nfs/dbraw/zinc/70/94/03/546709403.db2.gz YQRTXCYUNFEILF-MFKMUULPSA-N -1 0 329.418 2.550 10 0 EFAERM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cncc(OC(C)C)n1 ZINC000656187049 546714261 /nfs/dbraw/zinc/71/42/61/546714261.db2.gz IKQLCWBSJAXKLK-UHFFFAOYSA-N -1 0 325.365 2.512 10 0 EFAERM Cc1cc(F)c(S(=O)(=O)[N-]c2cncc(OC(C)C)n2)cc1F ZINC000656187058 546714470 /nfs/dbraw/zinc/71/44/70/546714470.db2.gz IUDHWKUBAKARLE-UHFFFAOYSA-N -1 0 343.355 2.651 10 0 EFAERM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)c(F)c1 ZINC000656186621 546714593 /nfs/dbraw/zinc/71/45/93/546714593.db2.gz KIVIHQIPNHXCDJ-UHFFFAOYSA-N -1 0 329.315 2.686 10 0 EFAERM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)C[C@H]1OCc2ccccc21 ZINC000656235259 546734892 /nfs/dbraw/zinc/73/48/92/546734892.db2.gz ZXOBRCVZLPVXFR-RHSMWYFYSA-N -1 0 349.427 2.624 10 0 EFAERM COc1cc(C(=O)[O-])cc(NC(=O)c2ccn(C(C)(C)C)n2)c1OC ZINC000656234181 546735049 /nfs/dbraw/zinc/73/50/49/546735049.db2.gz CFFIOSXEDJEBHP-UHFFFAOYSA-N -1 0 347.371 2.606 10 0 EFAERM O=C([O-])CCN(CC1CC1)C(=O)c1ccc(OCC(F)(F)F)o1 ZINC000656234294 546735171 /nfs/dbraw/zinc/73/51/71/546735171.db2.gz YDUOUCRVYGKASU-UHFFFAOYSA-N -1 0 335.278 2.548 10 0 EFAERM O=C(C[C@H]1OCc2ccccc21)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000656235047 546735293 /nfs/dbraw/zinc/73/52/93/546735293.db2.gz VYPDSUKDSJQDLJ-YLJYHZDGSA-N -1 0 337.375 2.691 10 0 EFAERM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCCc1c(F)cccc1F ZINC000656241424 546739486 /nfs/dbraw/zinc/73/94/86/546739486.db2.gz BCZCPZGDBQYISU-JKDFXYPNSA-N -1 0 337.366 2.999 10 0 EFAERM O=C([O-])[C@@H](CC(F)F)NC(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000656243991 546740253 /nfs/dbraw/zinc/74/02/53/546740253.db2.gz LDUBZDZBSDOLQM-GHMZBOCLSA-N -1 0 333.718 2.526 10 0 EFAERM CC(C)(C)n1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)n1 ZINC000656249949 546743775 /nfs/dbraw/zinc/74/37/75/546743775.db2.gz CDARYTRWGZBAKN-QGZVFWFLSA-N -1 0 333.363 2.507 10 0 EFAERM CC(C)(C)n1ccc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000656249893 546744581 /nfs/dbraw/zinc/74/45/81/546744581.db2.gz AMXCXSJGZWHLDV-AWEZNQCLSA-N -1 0 349.818 2.717 10 0 EFAERM Cc1cc(C)cc([C@H](NC(=O)c2ccn(C(C)(C)C)n2)C(=O)[O-])c1 ZINC000656250591 546745599 /nfs/dbraw/zinc/74/55/99/546745599.db2.gz IDBUNKOGOPXQQW-HNNXBMFYSA-N -1 0 329.400 2.811 10 0 EFAERM C[C@@H](NC(=O)c1ccn(C(C)(C)C)n1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000656253696 546746432 /nfs/dbraw/zinc/74/64/32/546746432.db2.gz ZZIZVPJYTQSSLH-UKRRQHHQSA-N -1 0 343.427 2.700 10 0 EFAERM COc1ncccc1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000656475508 546813089 /nfs/dbraw/zinc/81/30/89/546813089.db2.gz WJJYNDUKHFVZQQ-CQSZACIVSA-N -1 0 340.379 2.638 10 0 EFAERM C[C@@](CCF)(NC(=O)Nc1cccc(Br)c1)C(=O)[O-] ZINC000656475626 546813624 /nfs/dbraw/zinc/81/36/24/546813624.db2.gz XUJQFCCILHERCD-LBPRGKRZSA-N -1 0 333.157 2.774 10 0 EFAERM C[C@@](CCF)(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000656475587 546814035 /nfs/dbraw/zinc/81/40/35/546814035.db2.gz XDERDVJCBUHNMD-LBPRGKRZSA-N -1 0 338.257 2.910 10 0 EFAERM CC(C)(C)c1nc2cc(NC(=O)C[C@@]3(C(=O)[O-])CCOC3)ccc2o1 ZINC000656479804 546814305 /nfs/dbraw/zinc/81/43/05/546814305.db2.gz FRZLHERJOWXOMN-SFHVURJKSA-N -1 0 346.383 2.945 10 0 EFAERM Cc1c2ccccc2oc1[C@H](C)NC(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000656480103 546814494 /nfs/dbraw/zinc/81/44/94/546814494.db2.gz HQMVEFRGWJSDSO-KPZWWZAWSA-N -1 0 331.368 2.800 10 0 EFAERM Cc1ccc(C(F)(F)F)cc1NC(=O)C[C@@]1(C(=O)[O-])CCOC1 ZINC000656478881 546814722 /nfs/dbraw/zinc/81/47/22/546814722.db2.gz FIHSDCILTBFOCQ-AWEZNQCLSA-N -1 0 331.290 2.834 10 0 EFAERM CC(C)Oc1cccc([C@@H](C)NC(=O)C[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000656480424 546815004 /nfs/dbraw/zinc/81/50/04/546815004.db2.gz JNLWBDBRJAAODZ-ACJLOTCBSA-N -1 0 335.400 2.532 10 0 EFAERM CC1(C)CC[C@@H](NC(=O)C[C@@]2(C(=O)[O-])CCOC2)c2ccccc21 ZINC000656480937 546815351 /nfs/dbraw/zinc/81/53/51/546815351.db2.gz MBNQQNSBQKDWHV-BEFAXECRSA-N -1 0 331.412 2.797 10 0 EFAERM O=C([O-])[C@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2F)CCOC1 ZINC000656481195 546815715 /nfs/dbraw/zinc/81/57/15/546815715.db2.gz NINXMWBZDVJOHG-ZDUSSCGKSA-N -1 0 335.253 2.664 10 0 EFAERM CC(C)Oc1cccc([C@H](C)NC(=O)C[C@]2(C(=O)[O-])CCOC2)c1 ZINC000656480426 546815720 /nfs/dbraw/zinc/81/57/20/546815720.db2.gz JNLWBDBRJAAODZ-SCLBCKFNSA-N -1 0 335.400 2.532 10 0 EFAERM CCCCOc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)c(C)c1 ZINC000656482242 546815906 /nfs/dbraw/zinc/81/59/06/546815906.db2.gz XNHXCHBWZKXQLO-SFHVURJKSA-N -1 0 335.400 2.994 10 0 EFAERM COCCCC[C@H](NC(=O)C[C@@]1(C(=O)[O-])CCOC1)c1ccccc1 ZINC000656483389 546815935 /nfs/dbraw/zinc/81/59/35/546815935.db2.gz XJJLFZSFOYNICX-LPHOPBHVSA-N -1 0 349.427 2.542 10 0 EFAERM Cc1ccc(C2(CNC(=O)C[C@@]3(C(=O)[O-])CCOC3)CCC2)cc1C ZINC000656483028 546815972 /nfs/dbraw/zinc/81/59/72/546815972.db2.gz QUFCNDDYYBEPPZ-FQEVSTJZSA-N -1 0 345.439 2.723 10 0 EFAERM Cc1ccc(-c2ccncc2)cc1NC(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000656482220 546816153 /nfs/dbraw/zinc/81/61/53/546816153.db2.gz XCERINQOGSFJCB-LJQANCHMSA-N -1 0 340.379 2.877 10 0 EFAERM Cc1ccc(C(C)(C)CNC(=O)C[C@]2(C(=O)[O-])CCOC2)c(C)c1 ZINC000656482724 546816176 /nfs/dbraw/zinc/81/61/76/546816176.db2.gz MGWQHXZEABGBGB-LJQANCHMSA-N -1 0 333.428 2.579 10 0 EFAERM CC(C)CCOc1cccc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000656482328 546816353 /nfs/dbraw/zinc/81/63/53/546816353.db2.gz YDYCXWMPANNHHH-SFHVURJKSA-N -1 0 335.400 2.931 10 0 EFAERM CCc1nc2ccc(NC(=O)C[C@]3(C(=O)[O-])CCOC3)cc2s1 ZINC000656483837 546816448 /nfs/dbraw/zinc/81/64/48/546816448.db2.gz GQHSIIBMZACTDJ-MRXNPFEDSA-N -1 0 334.397 2.679 10 0 EFAERM O=C([O-])[C@@]1(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)CCOC1 ZINC000656482212 546816464 /nfs/dbraw/zinc/81/64/64/546816464.db2.gz WVVSBSVIBKRNJN-QGZVFWFLSA-N -1 0 330.340 2.525 10 0 EFAERM COc1cc(NC(=O)N2CC3CC2(C(=O)[O-])C3)ccc1OC(C)C ZINC000656505326 546822752 /nfs/dbraw/zinc/82/27/52/546822752.db2.gz BKGBPXQIWPYKOC-UHFFFAOYSA-N -1 0 334.372 2.563 10 0 EFAERM O=C([O-])CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000656505680 546823184 /nfs/dbraw/zinc/82/31/84/546823184.db2.gz CIOOWEXXBDBJHP-UHFFFAOYSA-N -1 0 340.379 2.878 10 0 EFAERM O=C([O-])C12CC(C1)CN2C(=O)Nc1cccc(-c2nccs2)c1 ZINC000656505342 546823201 /nfs/dbraw/zinc/82/32/01/546823201.db2.gz BXFICEXXDQWAED-UHFFFAOYSA-N -1 0 329.381 2.891 10 0 EFAERM C[C@](CCF)(NC(=O)Nc1cccc(COCC2CC2)c1)C(=O)[O-] ZINC000656505579 546823408 /nfs/dbraw/zinc/82/34/08/546823408.db2.gz KXSDRRJIUJNGOV-QGZVFWFLSA-N -1 0 338.379 2.938 10 0 EFAERM O=C([O-])C12CC(C1)CN2C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000656505047 546823617 /nfs/dbraw/zinc/82/36/17/546823617.db2.gz ZMMRNNWJZUYBRZ-UHFFFAOYSA-N -1 0 329.381 2.891 10 0 EFAERM Cc1ccc(NC(=O)N[C@](C)(CCF)C(=O)[O-])cc1OCC(F)F ZINC000656505791 546823649 /nfs/dbraw/zinc/82/36/49/546823649.db2.gz ONUZPTYZYOSULZ-OAHLLOKOSA-N -1 0 348.321 2.963 10 0 EFAERM C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000656510289 546825139 /nfs/dbraw/zinc/82/51/39/546825139.db2.gz CSSWGXMEENXRAT-MXWKQRLJSA-N -1 0 347.399 2.774 10 0 EFAERM CC(C)C[C@H](CNS(=O)(=O)C[C@H](C)CC(F)(F)F)CC(=O)[O-] ZINC000656510542 546825158 /nfs/dbraw/zinc/82/51/58/546825158.db2.gz HAMSNIBRSKUPLK-MNOVXSKESA-N -1 0 347.399 2.631 10 0 EFAERM C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000656510291 546825256 /nfs/dbraw/zinc/82/52/56/546825256.db2.gz CSSWGXMEENXRAT-VWYCJHECSA-N -1 0 347.399 2.774 10 0 EFAERM C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@H](CC(=O)[O-])CC(C)(C)C ZINC000656512150 546826149 /nfs/dbraw/zinc/82/61/49/546826149.db2.gz HASGLHSHBCNOMH-NXEZZACHSA-N -1 0 347.399 2.774 10 0 EFAERM C[C@@H](CC(F)(F)F)CS(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000656512349 546826109 /nfs/dbraw/zinc/82/61/09/546826109.db2.gz JABXFOBMSUNIIR-VHSXEESVSA-N -1 0 347.399 2.774 10 0 EFAERM C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000656514641 546826157 /nfs/dbraw/zinc/82/61/57/546826157.db2.gz DTXYHHOFTHITFJ-GHMZBOCLSA-N -1 0 345.383 2.624 10 0 EFAERM C[C@@H](CC(F)(F)F)CS(=O)(=O)N(C)[C@H](CC(C)(C)C)C(=O)[O-] ZINC000656515174 546826347 /nfs/dbraw/zinc/82/63/47/546826347.db2.gz AKNPDJSJWZKWCO-VHSXEESVSA-N -1 0 347.399 2.726 10 0 EFAERM C[C@H](CC(F)(F)F)CS(=O)(=O)N(CCC(=O)[O-])C1CCCC1 ZINC000656515552 546826748 /nfs/dbraw/zinc/82/67/48/546826748.db2.gz UKKUXKZJGGPAGO-SNVBAGLBSA-N -1 0 345.383 2.624 10 0 EFAERM CCC[C@H](C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)c1ccccc1 ZINC000656519140 546826780 /nfs/dbraw/zinc/82/67/80/546826780.db2.gz FYLIOFNFUVWJKG-GUTXKFCHSA-N -1 0 327.446 2.599 10 0 EFAERM C[C@@H]1CCN(S(=O)(=O)CCC2CCCCC2)C[C@H]1CC(=O)[O-] ZINC000656521371 546827501 /nfs/dbraw/zinc/82/75/01/546827501.db2.gz JUEZGOQYLDLBJS-UKRRQHHQSA-N -1 0 331.478 2.719 10 0 EFAERM C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C[C@@H]1CC(=O)[O-] ZINC000656521529 546827572 /nfs/dbraw/zinc/82/75/72/546827572.db2.gz NAVLSRUVYSEEKK-UWVGGRQHSA-N -1 0 349.811 2.601 10 0 EFAERM C[C@H]1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)C[C@@H]1CC(=O)[O-] ZINC000656521245 546827717 /nfs/dbraw/zinc/82/77/17/546827717.db2.gz HSVQKBUYNVPDOO-WFASDCNBSA-N -1 0 337.441 2.685 10 0 EFAERM Cc1ccc(CS(=O)(=O)N2CC[C@@H](C)[C@H](CC(=O)[O-])C2)cc1C ZINC000656521502 546827761 /nfs/dbraw/zinc/82/77/61/546827761.db2.gz MPPRYLDGJLXCTL-CZUORRHYSA-N -1 0 339.457 2.566 10 0 EFAERM C[C@@H]1CCN(S(=O)(=O)CC2(C)CCCCC2)C[C@H]1CC(=O)[O-] ZINC000656521605 546827768 /nfs/dbraw/zinc/82/77/68/546827768.db2.gz OGWCPNQDVHKFJY-ZIAGYGMSSA-N -1 0 331.478 2.719 10 0 EFAERM CSc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](CC(=O)[O-])C2)cc1 ZINC000656523222 546828320 /nfs/dbraw/zinc/82/83/20/546828320.db2.gz KORMQFMFOLTEHY-RYUDHWBXSA-N -1 0 343.470 2.530 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](CC(=O)[O-])C2)c(Cl)c1 ZINC000656523694 546828535 /nfs/dbraw/zinc/82/85/35/546828535.db2.gz OFLAFROAVMEVBU-RYUDHWBXSA-N -1 0 345.848 2.770 10 0 EFAERM C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C[C@H]1CC(=O)[O-] ZINC000656522691 546828662 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C[C@H](NC(=O)CCc1cccc(OC(C)(C)C)n1)c1nn(C)cc1[O-] ZINC001363669359 1336984847 /nfs/dbraw/zinc/98/48/47/1336984847.db2.gz WBWAKGHCPJIWHI-LBPRGKRZSA-N -1 0 346.431 2.508 10 0 EFAERM Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2nn(C)cc2[O-])c1 ZINC001363669378 1336985091 /nfs/dbraw/zinc/98/50/91/1336985091.db2.gz WHEZHRWSYLDXGZ-ZDUSSCGKSA-N -1 0 331.416 2.814 10 0 EFAERM C[C@@H](NC(=O)c1ccnc(SC(C)(C)C)c1)c1nn(C)cc1[O-] ZINC001363671010 1336985571 /nfs/dbraw/zinc/98/55/71/1336985571.db2.gz ZPPUXIJFNYVCOQ-SNVBAGLBSA-N -1 0 334.445 2.902 10 0 EFAERM CCc1c(C(=O)Nc2cc(C(=O)OC(C)C)n[nH]2)[nH]c(C)c1C(C)=O ZINC001363672950 1336986194 /nfs/dbraw/zinc/98/61/94/1336986194.db2.gz KKGWXPFUUIZARZ-UHFFFAOYSA-N -1 0 346.387 2.629 10 0 EFAERM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@]23CCC[C@H]2OCC3)n1 ZINC001363701531 1337002793 /nfs/dbraw/zinc/00/27/93/1337002793.db2.gz HEVJQLYSERQEOH-APWZRJJASA-N -1 0 341.411 2.582 10 0 EFAERM CCC[C@H](C)[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC001363816217 1337066457 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CC(=Cc1cccnc1)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC001448218373 1392025550 /nfs/dbraw/zinc/02/55/50/1392025550.db2.gz KAKIAHWLXMEUIG-XYOKQWHBSA-N -1 0 335.367 2.923 10 0 EFAERM O=C(c1c([O-])cnc2c(F)cccc21)N1C[C@H](O)Cc2ccccc21 ZINC001448679695 1392165853 /nfs/dbraw/zinc/16/58/53/1392165853.db2.gz OMBLYGXCTLZPEF-GFCCVEGCSA-N -1 0 338.338 2.643 10 0 EFAERM Cc1noc(-c2ccc(NC(=O)c3s[n-]c(=O)c3Cl)cn2)n1 ZINC001449832165 1392401208 /nfs/dbraw/zinc/40/12/08/1392401208.db2.gz IVYUTYDLCNCGPI-UHFFFAOYSA-N -1 0 337.748 2.508 10 0 EFAERM Cc1nc([O-])[nH]c(=S)c1C(=O)Nc1cccc(-c2ncco2)c1C ZINC001450499363 1392630400 /nfs/dbraw/zinc/63/04/00/1392630400.db2.gz RXXLXYNOAVTNNL-UHFFFAOYSA-N -1 0 342.380 2.995 10 0 EFAERM O=C(NC[C@@H]1CC(=O)c2ccccc2O1)c1ccc(Cl)c([O-])c1 ZINC001454830126 1394277332 /nfs/dbraw/zinc/27/73/32/1394277332.db2.gz OCBQLMBHWZFYHW-NSHDSACASA-N -1 0 331.755 2.809 10 0 EFAERM C[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1ccnn1C ZINC001454968697 1394487969 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CCC(CC)n1nccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000155511289 1423461393 /nfs/dbraw/zinc/46/13/93/1423461393.db2.gz SICWDDDDEXWQNQ-UHFFFAOYSA-N -1 0 339.403 2.600 10 0 EFAERM CCN(c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1)C(C)C ZINC000345494136 1423508464 /nfs/dbraw/zinc/50/84/64/1423508464.db2.gz GTFJKJGNKAOULY-UHFFFAOYSA-N -1 0 342.447 2.634 10 0 EFAERM O=C(CCCCCc1cccs1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001123983874 1423625798 /nfs/dbraw/zinc/62/57/98/1423625798.db2.gz PYXLIBRWKVCSBG-UHFFFAOYSA-N -1 0 347.488 2.845 10 0 EFAERM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc(-c2ccccc2)o1 ZINC000680319467 1423639255 /nfs/dbraw/zinc/63/92/55/1423639255.db2.gz YYZSIIABIYEITM-QGZVFWFLSA-N -1 0 345.362 2.979 10 0 EFAERM CC(C)(C)c1csc(C(=O)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000913357955 1423719935 /nfs/dbraw/zinc/71/99/35/1423719935.db2.gz ROOBWYOBBAUJRH-UHFFFAOYSA-N -1 0 328.401 2.873 10 0 EFAERM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000135560774 1423757716 /nfs/dbraw/zinc/75/77/16/1423757716.db2.gz 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/nfs/dbraw/zinc/26/53/40/1103265340.db2.gz MAGRXKMLVAQLGU-CMPLNLGQSA-N -1 0 336.413 2.918 10 0 EFAERM C[C@@H]1CCC[C@H](CCNC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])C1 ZINC000905535480 1103280886 /nfs/dbraw/zinc/28/08/86/1103280886.db2.gz DTOCOTCBVCRUAW-KBUPBQIOSA-N -1 0 326.437 2.524 10 0 EFAERM CC(C)[C@H](CNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-])c1ccccc1 ZINC000905534885 1103281295 /nfs/dbraw/zinc/28/12/95/1103281295.db2.gz RIFCWCLZZCYTKP-YESZJQIVSA-N -1 0 348.443 2.748 10 0 EFAERM CSC[C@H](NC(=O)N[C@H](C)c1ccc(SC)cc1)C(=O)[O-] ZINC000905537400 1103284188 /nfs/dbraw/zinc/28/41/88/1103284188.db2.gz GWAVMTUUDUKMQY-SKDRFNHKSA-N -1 0 328.459 2.585 10 0 EFAERM CC(C)(CNC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-])C1CCCC1 ZINC000905537432 1103285169 /nfs/dbraw/zinc/28/51/69/1103285169.db2.gz HOZIGSRCHLARIY-HNNXBMFYSA-N -1 0 340.464 2.772 10 0 EFAERM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)NCC1CCC(F)CC1 ZINC000905538141 1103287262 /nfs/dbraw/zinc/28/72/62/1103287262.db2.gz NIWLXDLSFHLZOT-ZALBZXLWSA-N -1 0 340.370 2.649 10 0 EFAERM CC(C)CCC[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)[O-] ZINC000905539721 1103288565 /nfs/dbraw/zinc/28/85/65/1103288565.db2.gz YIARARNYVFSSTA-KBXIAJHMSA-N -1 0 326.437 2.523 10 0 EFAERM COCc1csc(CNC(=O)N[C@@H](CCCC(C)C)C(=O)[O-])c1 ZINC000905546347 1103294868 /nfs/dbraw/zinc/29/48/68/1103294868.db2.gz RWDPMLHDAHVTTI-AWEZNQCLSA-N -1 0 342.461 2.973 10 0 EFAERM CCSc1ccc([C@H](C)NC(=O)N[C@@H](CSC)C(=O)[O-])cc1 ZINC000905522946 1103305167 /nfs/dbraw/zinc/30/51/67/1103305167.db2.gz LWCLMIGWZZINLV-GWCFXTLKSA-N -1 0 342.486 2.975 10 0 EFAERM Cc1cccc([C@@H](C)NC(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])c1C ZINC000905526032 1103310152 /nfs/dbraw/zinc/31/01/52/1103310152.db2.gz NMRKYMSWIUJTHG-PBHICJAKSA-N -1 0 348.443 2.934 10 0 EFAERM CC1(C)C[C@H](NC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])c2ccccc21 ZINC000905525312 1103310446 /nfs/dbraw/zinc/31/04/46/1103310446.db2.gz DVABIZZBSAJFFF-MAZHCROVSA-N -1 0 346.427 2.731 10 0 EFAERM CC(C)(CNC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-])Cc1ccccc1 ZINC000905526297 1103310704 /nfs/dbraw/zinc/31/07/04/1103310704.db2.gz OIFRXLUNFAFJBM-HOTGVXAUSA-N -1 0 348.443 2.577 10 0 EFAERM CC[C@@H](C)C[C@@H](NC(=O)NCc1ccn(C2CCCC2)n1)C(=O)[O-] ZINC000905527931 1103314334 /nfs/dbraw/zinc/31/43/34/1103314334.db2.gz GKBAOVSVEIWOKY-IUODEOHRSA-N -1 0 336.436 2.687 10 0 EFAERM CC(C)Cc1ccccc1CNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC000905547373 1103314742 /nfs/dbraw/zinc/31/47/42/1103314742.db2.gz CBUJZPOHQYFJQM-DLBZAZTESA-N -1 0 348.443 2.707 10 0 EFAERM CC[C@H](NC(=O)N[C@@H](CSC)C(=O)[O-])c1ccc(F)cc1F ZINC000905529706 1103315860 /nfs/dbraw/zinc/31/58/60/1103315860.db2.gz MIFREEWLLLIREU-RYUDHWBXSA-N -1 0 332.372 2.531 10 0 EFAERM CC(C)CCC[C@@H](NC(=O)NC[C@@H]1CCC12CCOCC2)C(=O)[O-] ZINC000905555451 1103322294 /nfs/dbraw/zinc/32/22/94/1103322294.db2.gz KFGXJJAGAQWFJV-LSDHHAIUSA-N -1 0 340.464 2.772 10 0 EFAERM CCN(CC(=O)[O-])C(=O)NCc1ccc(Cl)cc1OC(C)C ZINC000905563896 1103328606 /nfs/dbraw/zinc/32/86/06/1103328606.db2.gz DRCWVCAWWCPEBE-UHFFFAOYSA-N -1 0 328.796 2.743 10 0 EFAERM CC(C)(C)OCC[C@H](NC(=O)NCC(C)(C)CC(F)F)C(=O)[O-] ZINC000905563375 1103328866 /nfs/dbraw/zinc/32/88/66/1103328866.db2.gz XRDNAHOODPCJGA-JTQLQIEISA-N -1 0 338.395 2.625 10 0 EFAERM COc1ccc(C2CC2)cc1CNC(=O)N(CC(=O)[O-])C1CCC1 ZINC000905565331 1103330761 /nfs/dbraw/zinc/33/07/61/1103330761.db2.gz QQPCVPBWCZPMPB-UHFFFAOYSA-N -1 0 332.400 2.721 10 0 EFAERM O=C([O-])[C@H](CCF)NC(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000905565561 1103332808 /nfs/dbraw/zinc/33/28/08/1103332808.db2.gz CJJXIUHXLPBRMF-SDDRHHMPSA-N -1 0 348.296 2.673 10 0 EFAERM O=C([O-])[C@@H](CCF)NC(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000905565559 1103332877 /nfs/dbraw/zinc/33/28/77/1103332877.db2.gz CJJXIUHXLPBRMF-QJPTWQEYSA-N -1 0 348.296 2.673 10 0 EFAERM CC(C)Oc1cc(Cl)ccc1CNC(=O)N[C@@H](CCF)C(=O)[O-] ZINC000905566329 1103333052 /nfs/dbraw/zinc/33/30/52/1103333052.db2.gz YIQKRNYMORNFFY-LBPRGKRZSA-N -1 0 346.786 2.739 10 0 EFAERM C/C=C\C[C@H](NC(=O)N[C@H]1CCCOc2c(OC)cccc21)C(=O)[O-] ZINC000905565636 1103333152 /nfs/dbraw/zinc/33/31/52/1103333152.db2.gz CZXODTHCISUJIF-NMEQGOOXSA-N -1 0 348.399 2.628 10 0 EFAERM COc1cccc2c1OCCC[C@H]2NC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000905567219 1103334961 /nfs/dbraw/zinc/33/49/61/1103334961.db2.gz OEPXOXJBVWDGTP-SMDDNHRTSA-N -1 0 348.399 2.556 10 0 EFAERM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCCC1(F)F ZINC000905566830 1103335706 /nfs/dbraw/zinc/33/57/06/1103335706.db2.gz ATERORKZXSLGDM-ZIAGYGMSSA-N -1 0 340.370 2.807 10 0 EFAERM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)NCC[C@@H]1CCCC1(F)F ZINC000905570464 1103338748 /nfs/dbraw/zinc/33/87/48/1103338748.db2.gz ZQSUGIQDAKMROO-XQHKEYJVSA-N -1 0 330.375 2.707 10 0 EFAERM O=C([O-])C12CC(C1)CN2C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000905576404 1103339290 /nfs/dbraw/zinc/33/92/90/1103339290.db2.gz ISMILHSRWNBJCX-UHFFFAOYSA-N -1 0 343.210 2.795 10 0 EFAERM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000905573148 1103340255 /nfs/dbraw/zinc/34/02/55/1103340255.db2.gz JERLXPJSWKSWTD-JYJNAYRXSA-N -1 0 344.411 2.698 10 0 EFAERM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000905579443 1103363535 /nfs/dbraw/zinc/36/35/35/1103363535.db2.gz XAWWMXNZSWWBNV-UVLCOCDESA-N -1 0 330.428 2.616 10 0 EFAERM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000905579442 1103363856 /nfs/dbraw/zinc/36/38/56/1103363856.db2.gz XAWWMXNZSWWBNV-USACIQFYSA-N -1 0 330.428 2.616 10 0 EFAERM CN(C(=O)NCC[C@H]1CC(C)(C)CO1)C1(C(=O)[O-])CCCCC1 ZINC000905581823 1103365788 /nfs/dbraw/zinc/36/57/88/1103365788.db2.gz QQZPLEPWWBHMIS-ZDUSSCGKSA-N -1 0 326.437 2.621 10 0 EFAERM C[C@@H]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3)[C@H](C(=O)[O-])C1 ZINC000905594563 1103376652 /nfs/dbraw/zinc/37/66/52/1103376652.db2.gz BOZKJFKSXQNULO-JWURUJNWSA-N -1 0 326.462 2.555 10 0 EFAERM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000905595076 1103378380 /nfs/dbraw/zinc/37/83/80/1103378380.db2.gz CXLIESHUTOMKQY-GSPSYOTPSA-N -1 0 328.478 2.801 10 0 EFAERM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000905596486 1103379025 /nfs/dbraw/zinc/37/90/25/1103379025.db2.gz MZJKSRJETACEKG-UYTSQGDYSA-N -1 0 348.468 2.656 10 0 EFAERM COc1cccc(C[C@H](NC(=O)NC[C@@]23C[C@@H]2CCCC3)C(=O)[O-])c1 ZINC000905596992 1103379769 /nfs/dbraw/zinc/37/97/69/1103379769.db2.gz RCBAUPXOOSZWFI-URLQWDBASA-N -1 0 346.427 2.570 10 0 EFAERM O=C([O-])C[C@H](NS(=O)(=O)CCCC1CC1)c1cccc(Cl)c1 ZINC000905986567 1103794528 /nfs/dbraw/zinc/79/45/28/1103794528.db2.gz HOYRGFYUHUYUHH-AWEZNQCLSA-N -1 0 345.848 2.965 10 0 EFAERM Cc1cnc(Cl)c(S(=O)(=O)N[C@@H](C)CCC[C@@H](C)C(=O)[O-])c1 ZINC000905986556 1103794914 /nfs/dbraw/zinc/79/49/14/1103794914.db2.gz HHFVMILEYMYXTI-MNOVXSKESA-N -1 0 348.852 2.601 10 0 EFAERM O=C([O-])C[C@@H](NS(=O)(=O)CCCC1CC1)c1cccc(Cl)c1 ZINC000905986568 1103795119 /nfs/dbraw/zinc/79/51/19/1103795119.db2.gz HOYRGFYUHUYUHH-CQSZACIVSA-N -1 0 345.848 2.965 10 0 EFAERM Cc1cc(Cl)cc(C)c1S(=O)(=O)N[C@H](C)CCCC(=O)[O-] ZINC000905988435 1103796599 /nfs/dbraw/zinc/79/65/99/1103796599.db2.gz PUNBUGXDGCMVGY-LLVKDONJSA-N -1 0 333.837 2.879 10 0 EFAERM CC(F)(F)CCCS(=O)(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC000905987805 1103797411 /nfs/dbraw/zinc/79/74/11/1103797411.db2.gz QAHUUWXQWMPQOB-UHFFFAOYSA-N -1 0 343.298 2.840 10 0 EFAERM O=C([O-])c1cc(NS(=O)(=O)CC2(F)CC2)cc(C(F)(F)F)c1 ZINC000905991749 1103798451 /nfs/dbraw/zinc/79/84/51/1103798451.db2.gz SQEWFCWYHOTFIH-UHFFFAOYSA-N -1 0 341.282 2.647 10 0 EFAERM O=C([O-])CC1(CCNS(=O)(=O)CCCC2CC2)CCCCC1 ZINC000905994887 1103799481 /nfs/dbraw/zinc/79/94/81/1103799481.db2.gz ZXLGYGHTPBINEO-UHFFFAOYSA-N -1 0 331.478 2.911 10 0 EFAERM CCCCS(=O)(=O)N1CC[C@H](C2(C(=O)[O-])CC2)c2ccccc21 ZINC000906000382 1103807084 /nfs/dbraw/zinc/80/70/84/1103807084.db2.gz WFIDJGRNQBHNFC-AWEZNQCLSA-N -1 0 337.441 2.975 10 0 EFAERM O=C([O-])[C@@H]1CC=C[C@@H](NS(=O)(=O)/C=C\c2ccccc2Cl)C1 ZINC000906000186 1103807380 /nfs/dbraw/zinc/80/73/80/1103807380.db2.gz FRRAVLZKYGGGLZ-WACGGTQYSA-N -1 0 341.816 2.650 10 0 EFAERM Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000906001085 1103807422 /nfs/dbraw/zinc/80/74/22/1103807422.db2.gz ARFDBTORTYDVFX-SWLSCSKDSA-N -1 0 343.832 2.666 10 0 EFAERM Cc1cc(S(=O)(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)sc1Cl ZINC000906003203 1103809075 /nfs/dbraw/zinc/80/90/75/1103809075.db2.gz GLZORIDLMRAKJQ-TVQRCGJNSA-N -1 0 349.861 2.728 10 0 EFAERM CCN(c1ccc(C)cc1C(=O)[O-])S(=O)(=O)N1CCCC[C@H]1C ZINC000906004353 1103810895 /nfs/dbraw/zinc/81/08/95/1103810895.db2.gz XFKLCYQRGXMUHU-CYBMUJFWSA-N -1 0 340.445 2.639 10 0 EFAERM O=C([O-])C[C@H](NS(=O)(=O)/C=C\c1ccc(F)cc1)C1CCCC1 ZINC000906005283 1103811786 /nfs/dbraw/zinc/81/17/86/1103811786.db2.gz OYFPEXPMJQYSQS-KVPUOBJLSA-N -1 0 341.404 2.749 10 0 EFAERM CCC[C@@H](C)CS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000906009775 1103843226 /nfs/dbraw/zinc/84/32/26/1103843226.db2.gz CZJXUYWADNZFGD-BYCMXARLSA-N -1 0 325.430 2.655 10 0 EFAERM CC(C)C[C@@H](C)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000906011817 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Cc1ccc(S(=O)(=O)NCCCC(C)(F)F)c(C)c1C(=O)[O-] ZINC000414330134 244089833 /nfs/dbraw/zinc/08/98/33/244089833.db2.gz RRBFFJUQYLCALK-UHFFFAOYSA-N -1 0 335.372 2.715 10 0 EFAERM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)CC(C)(C)OC ZINC000414380942 244120722 /nfs/dbraw/zinc/12/07/22/244120722.db2.gz KCKAITJALZWDJE-UHFFFAOYSA-N -1 0 343.445 2.746 10 0 EFAERM COC(C)(C)CS(=O)(=O)[N-]c1cc(Cl)cnc1OC(C)C ZINC000414381595 244121103 /nfs/dbraw/zinc/12/11/03/244121103.db2.gz IVLYKHUDNRJTRJ-UHFFFAOYSA-N -1 0 336.841 2.689 10 0 EFAERM COC(C)(C)CS(=O)(=O)[N-]c1cc(C)n(C2CCCCC2)n1 ZINC000414385482 244124491 /nfs/dbraw/zinc/12/44/91/244124491.db2.gz RSDRCWJRPZPGAN-UHFFFAOYSA-N -1 0 329.466 2.863 10 0 EFAERM O=S(=O)([N-]c1ccc(F)cc1N1CCOCC1)c1cccs1 ZINC000414391564 244128659 /nfs/dbraw/zinc/12/86/59/244128659.db2.gz CVYYLOQUSNHABF-UHFFFAOYSA-N -1 0 342.417 2.525 10 0 EFAERM COc1cc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)ccc1Cl ZINC000414444379 244163721 /nfs/dbraw/zinc/16/37/21/244163721.db2.gz PPEZZAKDKFYCRB-UHFFFAOYSA-N -1 0 331.781 2.656 10 0 EFAERM CCCn1c(C(=O)N2C[C@H](OC)C[C@@H]2CC(=O)[O-])cc2ccccc21 ZINC000262887424 284127599 /nfs/dbraw/zinc/12/75/99/284127599.db2.gz CCHZSGKVXFUZTO-HUUCEWRRSA-N -1 0 344.411 2.756 10 0 EFAERM CCCCC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000020200363 212111248 /nfs/dbraw/zinc/11/12/48/212111248.db2.gz URAXMKBBVSCHJI-AWEZNQCLSA-N -1 0 332.400 2.752 10 0 EFAERM C[C@@H](NC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1)c1ccccc1 ZINC000020117681 212102661 /nfs/dbraw/zinc/10/26/61/212102661.db2.gz WSSMCOCODFLWOP-CYBMUJFWSA-N -1 0 340.379 2.981 10 0 EFAERM CCCOc1cc(C)ccc1CNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000414632011 244263864 /nfs/dbraw/zinc/26/38/64/244263864.db2.gz RLVHWXAMIBZTHS-HNNXBMFYSA-N -1 0 334.416 2.790 10 0 EFAERM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2ccccc2oc1=O ZINC000261694362 304149223 /nfs/dbraw/zinc/14/92/23/304149223.db2.gz OAVJRIBKIWUXKQ-DFBGVHRSSA-N -1 0 341.363 2.651 10 0 EFAERM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1csc(Br)c1 ZINC000261567664 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347.798 2.828 10 0 EFAERM O=C([O-])[C@H]1CN(C(=O)CCCOCc2ccccc2)C[C@@H]1C1CC1 ZINC000262289050 244905718 /nfs/dbraw/zinc/90/57/18/244905718.db2.gz ZZWWDNDPOXTMAT-SJORKVTESA-N -1 0 331.412 2.553 10 0 EFAERM CCOc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)cc1 ZINC000416942270 244924187 /nfs/dbraw/zinc/92/41/87/244924187.db2.gz JMEXSBBWWWGILN-GFCCVEGCSA-N -1 0 335.429 2.980 10 0 EFAERM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1SCCc2sccc21 ZINC000263041426 304156860 /nfs/dbraw/zinc/15/68/60/304156860.db2.gz RMILGDJYUGDTEA-XYHOJCAOSA-N -1 0 337.466 2.790 10 0 EFAERM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCOCc1ccccc1 ZINC000262456587 244985613 /nfs/dbraw/zinc/98/56/13/244985613.db2.gz VJYIEDUXCIRMPZ-BBWFWOEESA-N -1 0 331.412 2.838 10 0 EFAERM Cc1noc(C(C)C)c1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262548258 245027355 /nfs/dbraw/zinc/02/73/55/245027355.db2.gz UFBFUJRDTKKDFZ-CQSZACIVSA-N -1 0 330.384 2.780 10 0 EFAERM O=C([O-])C1CCN(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)CC1 ZINC000417794358 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O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000565697205 479063296 /nfs/dbraw/zinc/06/32/96/479063296.db2.gz DMTSSGSFILFUOY-NRUUGDAUSA-N -1 0 349.337 2.826 10 0 EFAERM Cc1nc([C@H](C)NS(=O)(=O)CCC(C)(C)C)sc1C(=O)[O-] ZINC000573441255 479067571 /nfs/dbraw/zinc/06/75/71/479067571.db2.gz BCQBGIUPLAQIMP-VIFPVBQESA-N -1 0 334.463 2.566 10 0 EFAERM C[C@@H]1CCN(C(=O)c2cc(Br)ccc2F)C[C@@H]1C(=O)[O-] ZINC000573444414 479069627 /nfs/dbraw/zinc/06/96/27/479069627.db2.gz DBMYMGNGBKWBCF-KCJUWKMLSA-N -1 0 344.180 2.771 10 0 EFAERM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)s1 ZINC000565758425 479078123 /nfs/dbraw/zinc/07/81/23/479078123.db2.gz KKLQZEMMDAAKLW-STQMWFEESA-N -1 0 348.476 2.803 10 0 EFAERM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CSc3ccccc3O2)C1 ZINC000584292194 479083450 /nfs/dbraw/zinc/08/34/50/479083450.db2.gz XBGJBKRFBYDOSB-YNEHKIRRSA-N -1 0 335.425 2.547 10 0 EFAERM CCc1ccc(S(=O)(=O)[N-]c2c(-c3ncc(C)o3)cnn2C)cc1 ZINC000584302023 479088512 /nfs/dbraw/zinc/08/85/12/479088512.db2.gz PCXDJGHFHWZJCC-UHFFFAOYSA-N -1 0 346.412 2.747 10 0 EFAERM CCOC(=O)c1ccc(-n2[n-]c(C[C@@H]3CCCO3)cc2=O)cc1C ZINC000601949280 479089282 /nfs/dbraw/zinc/08/92/82/479089282.db2.gz GYEJUXBENLZDGC-HNNXBMFYSA-N -1 0 330.384 2.834 10 0 EFAERM CC(C)OCc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCSC2)c1 ZINC000584329151 479092226 /nfs/dbraw/zinc/09/22/26/479092226.db2.gz FQOWWYDMEOPXHZ-MRXNPFEDSA-N -1 0 338.429 2.693 10 0 EFAERM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)N2CC[C@@H](CC(C)(C)C)C2)s1 ZINC000573560386 479092384 /nfs/dbraw/zinc/09/23/84/479092384.db2.gz RFGYGLUBMJLDEJ-NSHDSACASA-N -1 0 348.476 2.949 10 0 EFAERM CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])[C@@H]1SC ZINC000592892504 479092919 /nfs/dbraw/zinc/09/29/19/479092919.db2.gz NBJHLJJUUMTJNE-WZRBSPASSA-N -1 0 333.812 2.824 10 0 EFAERM Cn1cnc(=NC(=O)N[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)[n-]1 ZINC000573561980 479093956 /nfs/dbraw/zinc/09/39/56/479093956.db2.gz WQTQCSKVHWYOIH-FZMZJTMJSA-N -1 0 325.416 2.659 10 0 EFAERM COc1cccc(S([O-])=CC(=O)N2CCCC[C@@H]2C2CCC2)c1 ZINC000592926056 479100626 /nfs/dbraw/zinc/10/06/26/479100626.db2.gz ZBHKFDOAFZGOLA-UZUQRXQVSA-N -1 0 335.469 2.984 10 0 EFAERM COc1cccc(S([O-])=CC(=O)N2CCCC[C@@H]2C2CCC2)c1 ZINC000592926051 479100646 /nfs/dbraw/zinc/10/06/46/479100646.db2.gz ZBHKFDOAFZGOLA-HXOBKFHXSA-N -1 0 335.469 2.984 10 0 EFAERM CC(C)(C)N1CCc2nc([N-]S(=O)(=O)CCC3CC3)sc2C1 ZINC000584345479 479101376 /nfs/dbraw/zinc/10/13/76/479101376.db2.gz LAJCVASYBABJDI-UHFFFAOYSA-N -1 0 343.518 2.842 10 0 EFAERM CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1OCC ZINC000573608974 479102381 /nfs/dbraw/zinc/10/23/81/479102381.db2.gz NTLJWBQFWZUPIV-OCCSQVGLSA-N -1 0 335.400 2.667 10 0 EFAERM CC(C)Oc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CCOCC2)cc1 ZINC000584352984 479106910 /nfs/dbraw/zinc/10/69/10/479106910.db2.gz JKYDEFYOJDVRBL-CYBMUJFWSA-N -1 0 335.400 2.532 10 0 EFAERM O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1c(O)cccc1O ZINC000584358087 479108770 /nfs/dbraw/zinc/10/87/70/479108770.db2.gz FQNMSTCMAYOYAW-JOCQHMNTSA-N -1 0 327.384 2.646 10 0 EFAERM CCOC(=O)c1cc(C)sc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000596060765 479113532 /nfs/dbraw/zinc/11/35/32/479113532.db2.gz GYZXJENQIDKPJC-UHFFFAOYSA-N -1 0 340.401 2.610 10 0 EFAERM CC(=O)c1ccc(OCCCC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000515059921 479113704 /nfs/dbraw/zinc/11/37/04/479113704.db2.gz GVEWVJGBALTVIL-GUYCJALGSA-N -1 0 347.411 2.617 10 0 EFAERM CC(=O)c1ccc(OCCCC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000515059922 479113902 /nfs/dbraw/zinc/11/39/02/479113902.db2.gz GVEWVJGBALTVIL-SUMWQHHRSA-N -1 0 347.411 2.617 10 0 EFAERM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000601988659 479115907 /nfs/dbraw/zinc/11/59/07/479115907.db2.gz CPVWBHGPFDOUPZ-KVXSJGJKSA-N -1 0 349.452 2.610 10 0 EFAERM Cc1cccc(Cl)c1S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000584397799 479119811 /nfs/dbraw/zinc/11/98/11/479119811.db2.gz FFBHABXDXROYKA-LLVKDONJSA-N -1 0 343.832 2.524 10 0 EFAERM COc1n[n-]c(=NC(=O)N2CCC(c3ccccc3F)CC2)s1 ZINC000515189968 479131271 /nfs/dbraw/zinc/13/12/71/479131271.db2.gz YOMZLQWYBQIIPE-UHFFFAOYSA-N -1 0 336.392 2.519 10 0 EFAERM CCCc1c(C(=O)[O-])nnn1Cc1cccc(-c2cn(C)nc2C)c1 ZINC000584421899 479132134 /nfs/dbraw/zinc/13/21/34/479132134.db2.gz HLDQCZQBBOOTMB-UHFFFAOYSA-N -1 0 339.399 2.686 10 0 EFAERM O=C([O-])[C@]1(NC(=O)N[C@H]2CCc3c2cccc3Cl)CCSC1 ZINC000515281725 479140820 /nfs/dbraw/zinc/14/08/20/479140820.db2.gz JDUXIRARBKDLOU-WFASDCNBSA-N -1 0 340.832 2.587 10 0 EFAERM C/C=C/C[C@@H](NC(=O)NCCc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000515336431 479148686 /nfs/dbraw/zinc/14/86/86/479148686.db2.gz QIKOWZLXFPLGKA-YWVDXFKGSA-N -1 0 342.342 2.549 10 0 EFAERM COCCC1(NC(=O)N=c2nc(-c3ccsc3)[n-]s2)CCC1 ZINC000573901713 479168319 /nfs/dbraw/zinc/16/83/19/479168319.db2.gz JYNRFLUPMPMSKV-UHFFFAOYSA-N -1 0 338.458 2.769 10 0 EFAERM COC(=O)[C@@H](C)[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000610728373 479169800 /nfs/dbraw/zinc/16/98/00/479169800.db2.gz 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O=C(NCCc1ccccn1)c1cc(Br)c(F)cc1[O-] ZINC001411602424 1296326461 /nfs/dbraw/zinc/32/64/61/1296326461.db2.gz QZFCROFQCRURSH-UHFFFAOYSA-N -1 0 339.164 2.661 10 0 EFAERM C[C@@H](c1noc(-c2nc[n-]c2C(=O)c2ccccc2)n1)[C@H]1CCCO1 ZINC000903822685 1313253016 /nfs/dbraw/zinc/25/30/16/1313253016.db2.gz DHKNYTISTSVMOL-DGCLKSJQSA-N -1 0 338.367 2.973 10 0 EFAERM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000867373903 1296429855 /nfs/dbraw/zinc/42/98/55/1296429855.db2.gz UZJDQEXUWYMBDO-GRYCIOLGSA-N -1 0 329.418 2.559 10 0 EFAERM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H](COC)c2nnn[n-]2)CC1 ZINC001413557661 1313255946 /nfs/dbraw/zinc/25/59/46/1313255946.db2.gz UIFGGLFMXYIMRA-NTXUUIFSSA-N -1 0 349.479 2.636 10 0 EFAERM COc1cc(F)c(C(=O)[N-]N2Cc3ccccc3C2=O)c(Cl)c1 ZINC001412003633 1296477085 /nfs/dbraw/zinc/47/70/85/1296477085.db2.gz GHBASNIHJZYYGR-UHFFFAOYSA-N -1 0 334.734 2.789 10 0 EFAERM CCn1nc(C(C)C)cc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000131542259 1296503337 /nfs/dbraw/zinc/50/33/37/1296503337.db2.gz SPUBVXLJDXLHII-CYBMUJFWSA-N -1 0 349.456 2.847 10 0 EFAERM COC[C@H](CC(C)(C)C)NC(=O)c1ncc(Br)cc1[O-] ZINC001412294236 1296528535 /nfs/dbraw/zinc/52/85/35/1296528535.db2.gz ATULVCNUUZDOLE-JTQLQIEISA-N -1 0 345.237 2.731 10 0 EFAERM CC(F)(F)CCCS(=O)(=O)NC[C@H](CC(=O)[O-])c1ccccc1 ZINC000903833334 1313269761 /nfs/dbraw/zinc/26/97/61/1313269761.db2.gz IFGKBFDYIGHLPZ-ZDUSSCGKSA-N -1 0 349.399 2.600 10 0 EFAERM C[C@@H]1CC[C@](CNS(=O)(=O)CCCC(C)(F)F)(CC(=O)[O-])C1 ZINC000903839196 1313279549 /nfs/dbraw/zinc/27/95/49/1313279549.db2.gz YNCLKNHHMKAIMZ-BXUZGUMPSA-N -1 0 341.420 2.622 10 0 EFAERM CC(C)(CCS(=O)(=O)N1CC[C@@H]2CC[C@@H](C(=O)[O-])C[C@H]21)C1CC1 ZINC000903844289 1313286778 /nfs/dbraw/zinc/28/67/78/1313286778.db2.gz HGIJPMOOBPNYGH-GZBFAFLISA-N -1 0 343.489 2.718 10 0 EFAERM C[C@@H](C[C@H]1CCCCN1S(=O)(=O)CCCC(C)(F)F)C(=O)[O-] ZINC000903851251 1313296112 /nfs/dbraw/zinc/29/61/12/1313296112.db2.gz AQYXPIGSZCGQNE-NWDGAFQWSA-N -1 0 341.420 2.717 10 0 EFAERM CCC[C@@H]([N-]S(=O)(=O)c1occc1C(=O)OC)C1CCCC1 ZINC000867389767 1296786020 /nfs/dbraw/zinc/78/60/20/1296786020.db2.gz ZETHYCHNVKHBHK-CYBMUJFWSA-N -1 0 329.418 2.703 10 0 EFAERM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1nn(-c2ccccc2)cc1[O-] ZINC000927394244 1297014865 /nfs/dbraw/zinc/01/48/65/1297014865.db2.gz CITUVBCCBSGHMO-LQDVMPOASA-N -1 0 343.452 2.982 10 0 EFAERM Cn1c(=O)c2ccc(C(=O)NC[C@]34C[C@H]3CCCC4)cc2[n-]c1=S ZINC000927448774 1297021458 /nfs/dbraw/zinc/02/14/58/1297021458.db2.gz IZJIDGJBGVYKSP-XIKOKIGWSA-N -1 0 343.452 2.532 10 0 EFAERM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(C)(C)C ZINC000867408211 1297127268 /nfs/dbraw/zinc/12/72/68/1297127268.db2.gz XAEXSJPHEDHRHL-NEPJUHHUSA-N -1 0 329.418 2.559 10 0 EFAERM Cc1ccc2oc(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])cc2c1 ZINC000929010109 1297152095 /nfs/dbraw/zinc/15/20/95/1297152095.db2.gz ZADUOMOBSIDNCT-ACJLOTCBSA-N -1 0 328.368 2.890 10 0 EFAERM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000929009157 1297152130 /nfs/dbraw/zinc/15/21/30/1297152130.db2.gz IWCFYJGNFNHYDR-WFTWPBCJSA-N -1 0 334.803 2.845 10 0 EFAERM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000929009190 1297152764 /nfs/dbraw/zinc/15/27/64/1297152764.db2.gz LBTMZSZAVHNSNJ-NNFUDEMPSA-N -1 0 344.411 2.555 10 0 EFAERM CSC[C@@H](NC(=O)N[C@@H](C)c1ccc(SC)cc1)C(=O)[O-] ZINC000929044191 1297154583 /nfs/dbraw/zinc/15/45/83/1297154583.db2.gz GWAVMTUUDUKMQY-JOYOIKCWSA-N -1 0 328.459 2.585 10 0 EFAERM COc1ccc(C)cc1[C@@H](C)NC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000929060718 1297156005 /nfs/dbraw/zinc/15/60/05/1297156005.db2.gz GQTBHKSZPMOWTH-FHIRATQRSA-N -1 0 346.427 2.959 10 0 EFAERM C[C@@H](COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)OCc1ccccc1 ZINC000798905203 1297225525 /nfs/dbraw/zinc/22/55/25/1297225525.db2.gz RHGGTWWIOLBMIZ-NSHDSACASA-N -1 0 347.333 2.592 10 0 EFAERM O=C([O-])c1cc(NS(=O)(=O)Cc2ccc(Cl)nc2)ccc1F ZINC000776445250 1299096338 /nfs/dbraw/zinc/09/63/38/1299096338.db2.gz JOAPBVJWMKYUBV-UHFFFAOYSA-N -1 0 344.751 2.514 10 0 EFAERM CCCN(C)C(=O)Nc1ccc(N2CCSCC2)c(C(=O)[O-])c1 ZINC000776502748 1299321335 /nfs/dbraw/zinc/32/13/35/1299321335.db2.gz HUJNBXZIUIQCNL-UHFFFAOYSA-N -1 0 337.445 2.812 10 0 EFAERM Cc1ccc([C@H](NS(=O)(=O)/C=C/c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000776501549 1299322391 /nfs/dbraw/zinc/32/23/91/1299322391.db2.gz VSJAEOIWXLEJKM-OFAQMXQXSA-N -1 0 349.383 2.850 10 0 EFAERM C[C@@H](C1CC1)N(C)S(=O)(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000776515144 1299329037 /nfs/dbraw/zinc/32/90/37/1299329037.db2.gz CYVFCTNRSVAZIT-NSHDSACASA-N -1 0 348.424 2.925 10 0 EFAERM CCC(CC)n1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)cc1C ZINC000776523581 1299346276 /nfs/dbraw/zinc/34/62/76/1299346276.db2.gz CZSVRQYVUOERTK-UHFFFAOYSA-N -1 0 329.466 2.658 10 0 EFAERM Cc1ccc(/C=C/S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000776520755 1299346360 /nfs/dbraw/zinc/34/63/60/1299346360.db2.gz OPCROXYWAOSHCC-RPMHCLSESA-N -1 0 337.441 2.776 10 0 EFAERM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(Br)o2)C1(F)F ZINC000851819842 1299416362 /nfs/dbraw/zinc/41/63/62/1299416362.db2.gz JRNGOMYSAWJDMJ-ZCFIWIBFSA-N -1 0 344.177 2.612 10 0 EFAERM Cc1ccc(/C=C\S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000776571774 1299572132 /nfs/dbraw/zinc/57/21/32/1299572132.db2.gz VYOAWFXRGFIPPT-CMUBDUJZSA-N -1 0 325.430 2.775 10 0 EFAERM C[C@@H]1CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C[C@@H](C)C1=O ZINC000852474874 1299716204 /nfs/dbraw/zinc/71/62/04/1299716204.db2.gz VVAMVVKVGPBVER-NXEZZACHSA-N -1 0 335.787 2.809 10 0 EFAERM O=C([O-])[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1)C1CCC1 ZINC000852912667 1299936107 /nfs/dbraw/zinc/93/61/07/1299936107.db2.gz DECYCAKITMXZCZ-GFCCVEGCSA-N -1 0 333.356 2.596 10 0 EFAERM Cc1ccc(/C=C\S(=O)(=O)N[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC000776632056 1299946255 /nfs/dbraw/zinc/94/62/55/1299946255.db2.gz PRRYSZOBYDMBCJ-SNGWPZLWSA-N -1 0 337.441 2.919 10 0 EFAERM Cc1ccc(/C=C/S(=O)(=O)N[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC000776632054 1299946369 /nfs/dbraw/zinc/94/63/69/1299946369.db2.gz PRRYSZOBYDMBCJ-SIFUEBAJSA-N -1 0 337.441 2.919 10 0 EFAERM COc1cc2ccc(NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])cc2cc1OC ZINC000853009615 1299968710 /nfs/dbraw/zinc/96/87/10/1299968710.db2.gz MGUDPGBFVROEPJ-GHMZBOCLSA-N -1 0 347.367 2.674 10 0 EFAERM COc1cc2ccc(NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])cc2cc1OC ZINC000853009621 1299969309 /nfs/dbraw/zinc/96/93/09/1299969309.db2.gz MGUDPGBFVROEPJ-QWRGUYRKSA-N -1 0 347.367 2.674 10 0 EFAERM CC(C)CCc1ccc(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1 ZINC000853067961 1299996571 /nfs/dbraw/zinc/99/65/71/1299996571.db2.gz KOICYQGPZAVVDO-OAHLLOKOSA-N -1 0 337.441 2.727 10 0 EFAERM O=C([O-])[C@@H]1N(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC12CCC2 ZINC000853070895 1299997135 /nfs/dbraw/zinc/99/71/35/1299997135.db2.gz VKIGZXYYOMSEIC-XURPKSDJSA-N -1 0 341.816 2.580 10 0 EFAERM COc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776657455 1300086886 /nfs/dbraw/zinc/08/68/86/1300086886.db2.gz CYUUWBMBGWKCSN-LLVKDONJSA-N -1 0 341.335 2.981 10 0 EFAERM O=C([O-])C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000776654972 1300095518 /nfs/dbraw/zinc/09/55/18/1300095518.db2.gz SGSUHNVQSJIVTE-SMDDNHRTSA-N -1 0 327.327 2.556 10 0 EFAERM O=C([O-])C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccc(F)cc1F ZINC000776661385 1300100987 /nfs/dbraw/zinc/10/09/87/1300100987.db2.gz QLIWTSMPDRPYAS-HNNXBMFYSA-N -1 0 335.306 2.545 10 0 EFAERM O=C([O-])C[C@@H](NC(=O)/C=C/C1CCOCC1)c1ccc(F)cc1F ZINC000776663331 1300103796 /nfs/dbraw/zinc/10/37/96/1300103796.db2.gz YXJZONKALDKAFG-NTHKTCTLSA-N -1 0 339.338 2.580 10 0 EFAERM O=C([O-])CN(C1CCCC1)S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000776662512 1300104541 /nfs/dbraw/zinc/10/45/41/1300104541.db2.gz ZXFVNRKZRAQTIJ-HJWRWDBZSA-N -1 0 343.832 2.970 10 0 EFAERM CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000776679043 1300148660 /nfs/dbraw/zinc/14/86/60/1300148660.db2.gz KGVBHDUFHZSPOE-WSKFYRRCSA-N -1 0 331.821 2.824 10 0 EFAERM CCCN(C)C(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccc(F)cc1F ZINC000776684557 1300160551 /nfs/dbraw/zinc/16/05/51/1300160551.db2.gz SPPNHRFSWTXFMW-QWHCGFSZSA-N -1 0 344.383 2.927 10 0 EFAERM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000776687261 1300187719 /nfs/dbraw/zinc/18/77/19/1300187719.db2.gz UHXDGOFTSOMNHP-SKVAFPRGSA-N -1 0 331.821 2.826 10 0 EFAERM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)/C=C\c2cccc(Cl)c2)C1 ZINC000776719440 1300450981 /nfs/dbraw/zinc/45/09/81/1300450981.db2.gz VUISVOKWLVJYCL-AJHXJQRKSA-N -1 0 343.832 2.827 10 0 EFAERM CC(C)CCS(=O)(=O)[N-]C(=O)c1csc(Br)c1 ZINC000111984549 1300457496 /nfs/dbraw/zinc/45/74/96/1300457496.db2.gz QZBRPQUBHMINRR-UHFFFAOYSA-N -1 0 340.264 2.616 10 0 EFAERM CC(C)[C@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)[C@@H](O)c1ccccc1 ZINC000854234041 1300481756 /nfs/dbraw/zinc/48/17/56/1300481756.db2.gz ABZRJBIDCBLWLM-IKGGRYGDSA-N -1 0 348.443 2.545 10 0 EFAERM C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000112148680 1300516716 /nfs/dbraw/zinc/51/67/16/1300516716.db2.gz BXVNQQSPRRDDHH-AWEZNQCLSA-N -1 0 343.448 2.859 10 0 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CCc1cc2c(CC(=O)[N-]S(=O)(=O)C(C)C)csc2s1 ZINC000870175997 1305190298 /nfs/dbraw/zinc/19/02/98/1305190298.db2.gz OXBMCZWRZPWFAH-UHFFFAOYSA-N -1 0 331.484 2.922 10 0 EFAERM O=C([N-]S(=O)(=O)CC1CCCCC1)C1([C@@H]2CCCCO2)CCC1 ZINC000870177800 1305190512 /nfs/dbraw/zinc/19/05/12/1305190512.db2.gz SPFPLONCJRPGBF-HNNXBMFYSA-N -1 0 343.489 2.752 10 0 EFAERM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](Cc1cccnc1)C1CCCC1 ZINC000870179782 1305191345 /nfs/dbraw/zinc/19/13/45/1305191345.db2.gz JFANFAIPKBTCKJ-INIZCTEOSA-N -1 0 338.473 2.533 10 0 EFAERM CC(C)(C)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000870193971 1305200153 /nfs/dbraw/zinc/20/01/53/1305200153.db2.gz CARSYTBOMOKLSE-ZIAGYGMSSA-N -1 0 332.425 2.722 10 0 EFAERM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1cc2c(ccnc2Cl)o1 ZINC000870200916 1305203048 /nfs/dbraw/zinc/20/30/48/1305203048.db2.gz BFTLADATZJOUHQ-UHFFFAOYSA-N -1 0 330.793 2.587 10 0 EFAERM CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000870199954 1305203247 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339.482 2.517 10 0 EFAERM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000870231022 1305215878 /nfs/dbraw/zinc/21/58/78/1305215878.db2.gz NUIYYALMWMBTPW-GWNIPJSYSA-N -1 0 327.833 2.578 10 0 EFAERM O=C([N-]S(=O)(=O)C1CCCC1)C1(c2nccc3ccccc32)CC1 ZINC000870233888 1305217191 /nfs/dbraw/zinc/21/71/91/1305217191.db2.gz LYFGNEKGSFAIQH-UHFFFAOYSA-N -1 0 344.436 2.655 10 0 EFAERM C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)[C@@H](C)O1 ZINC000870253038 1305225857 /nfs/dbraw/zinc/22/58/57/1305225857.db2.gz BXBSJQLHZSHAJY-GMTAPVOTSA-N -1 0 345.486 2.664 10 0 EFAERM O=C([N-]S(=O)(=O)CC1CCC1)c1cc2ccnc(Cl)c2s1 ZINC000870255178 1305227620 /nfs/dbraw/zinc/22/76/20/1305227620.db2.gz SUYDHGKEUDFFHK-UHFFFAOYSA-N -1 0 344.845 2.809 10 0 EFAERM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC000870268793 1305233489 /nfs/dbraw/zinc/23/34/89/1305233489.db2.gz AXPKMEHVYWKDBL-CXAGYDPISA-N -1 0 337.441 2.859 10 0 EFAERM O=C([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)[C@]12C[C@H]1CCCC2 ZINC000870292146 1305246111 /nfs/dbraw/zinc/24/61/11/1305246111.db2.gz VQUFCZPAZINADP-RDTXWAMCSA-N -1 0 344.436 2.863 10 0 EFAERM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000870307068 1305252974 /nfs/dbraw/zinc/25/29/74/1305252974.db2.gz WNQSBGPVDWPYLO-MEYUZBJRSA-N -1 0 329.421 2.937 10 0 EFAERM Cc1nc2cccc(Cl)c2cc1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000870321069 1305261450 /nfs/dbraw/zinc/26/14/50/1305261450.db2.gz VGBFWNWMERTBAN-UHFFFAOYSA-N -1 0 338.816 2.809 10 0 EFAERM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)[C@]12C[C@H]1CCCC2 ZINC000870337076 1305268474 /nfs/dbraw/zinc/26/84/74/1305268474.db2.gz NQQLDZHESOLGDD-MEBBXXQBSA-N -1 0 343.832 2.734 10 0 EFAERM CCO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1C)C1CCCC1 ZINC000870342226 1305272091 /nfs/dbraw/zinc/27/20/91/1305272091.db2.gz XLYPDOOGBWWLRA-INIZCTEOSA-N -1 0 339.457 2.536 10 0 EFAERM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)C2(C(F)F)CCC2)c1 ZINC000870348643 1305275149 /nfs/dbraw/zinc/27/51/49/1305275149.db2.gz QGSZAZDNTIMKEG-UHFFFAOYSA-N 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O=C([N-]S(=O)(=O)[C@@H]1CCCc2ccccc21)C1(C(F)F)CCC1 ZINC000870405778 1305307867 /nfs/dbraw/zinc/30/78/67/1305307867.db2.gz LFWQIDZAFBBUEZ-CYBMUJFWSA-N -1 0 343.395 2.945 10 0 EFAERM CC(C)(C(=O)[N-]S(=O)(=O)CCC1CCCC1)[C@@H]1CCCCO1 ZINC000870417402 1305312603 /nfs/dbraw/zinc/31/26/03/1305312603.db2.gz PDVCOXGIGAZTBU-AWEZNQCLSA-N -1 0 331.478 2.608 10 0 EFAERM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)C(C)(C)C ZINC000870425703 1305315639 /nfs/dbraw/zinc/31/56/39/1305315639.db2.gz DFLNKWCWUHZKMS-GFCCVEGCSA-N -1 0 343.493 2.811 10 0 EFAERM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000870428538 1305316882 /nfs/dbraw/zinc/31/68/82/1305316882.db2.gz GHKLIXKPYSNSGH-YTWAJWBKSA-N -1 0 345.823 2.717 10 0 EFAERM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000870437964 1305320116 /nfs/dbraw/zinc/32/01/16/1305320116.db2.gz DSMVXUKBALWNFK-AQNFWKISSA-N -1 0 341.860 2.621 10 0 EFAERM Cc1ccnc2c1cccc2S(=O)(=O)[N-]C(=O)[C@]12C[C@H]1CCCC2 ZINC000870468171 1305340558 /nfs/dbraw/zinc/34/05/58/1305340558.db2.gz PLKPWEBCKWRESK-FZKQIMNGSA-N -1 0 344.436 2.928 10 0 EFAERM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CCc1ccccc1Cl ZINC000870472450 1305343080 /nfs/dbraw/zinc/34/30/80/1305343080.db2.gz QFTLTSYLMITKRU-SAXRGWBVSA-N -1 0 341.860 2.621 10 0 EFAERM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC(F)F ZINC000870475138 1305345026 /nfs/dbraw/zinc/34/50/26/1305345026.db2.gz NGDJJHPJVLBDQX-OAHLLOKOSA-N -1 0 333.400 2.603 10 0 EFAERM CC(C)CCCC(=O)[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000870640037 1305461483 /nfs/dbraw/zinc/46/14/83/1305461483.db2.gz JUAJSRXAVOETBG-UHFFFAOYSA-N -1 0 327.450 2.629 10 0 EFAERM CCC(C)(C)CS(=O)(=O)[N-]C(=O)CCc1nc2ccccc2o1 ZINC000870656521 1305477805 /nfs/dbraw/zinc/47/78/05/1305477805.db2.gz KYSMQGCDKFSVDC-UHFFFAOYSA-N -1 0 338.429 2.643 10 0 EFAERM CCC(C)(C)CS(=O)(=O)[N-]C(=O)c1c(C)nn(C(C)(C)C)c1C ZINC000870659440 1305478312 /nfs/dbraw/zinc/47/83/12/1305478312.db2.gz UKKFKGUFGSRBLG-UHFFFAOYSA-N -1 0 343.493 2.751 10 0 EFAERM CCC(C)(C)CS(=O)(=O)[N-]C(=O)c1sc([C@@H](C)OC)nc1C ZINC000870660191 1305478514 /nfs/dbraw/zinc/47/85/14/1305478514.db2.gz PLKJMWPCICLGSU-SNVBAGLBSA-N -1 0 348.490 2.655 10 0 EFAERM CCCn1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)CC)c1C1CC1 ZINC000870659838 1305478534 /nfs/dbraw/zinc/47/85/34/1305478534.db2.gz GLWUXGGTYYVPJR-UHFFFAOYSA-N -1 0 341.477 2.666 10 0 EFAERM CCC(C)(C)CS(=O)(=O)[N-]C(=O)C1(c2cccnc2)CCCC1 ZINC000870660423 1305478758 /nfs/dbraw/zinc/47/87/58/1305478758.db2.gz AOWGNBGDOHYUMC-UHFFFAOYSA-N -1 0 338.473 2.776 10 0 EFAERM CCC(CC)n1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)CC)n1 ZINC000870660283 1305478891 /nfs/dbraw/zinc/47/88/91/1305478891.db2.gz RUHOTWNEZJICAR-UHFFFAOYSA-N -1 0 329.466 2.740 10 0 EFAERM CCc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)CC)cnn1C(C)(C)C ZINC000870659534 1305479174 /nfs/dbraw/zinc/47/91/74/1305479174.db2.gz XOCCCKBUVFFAGJ-UHFFFAOYSA-N -1 0 343.493 2.696 10 0 EFAERM CC[C@@H](C)n1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)CC)cc1C ZINC000870659664 1305479196 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333.310 2.505 10 0 EFAERM CC(C)CCC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000910576738 727451407 /nfs/dbraw/zinc/45/14/07/727451407.db2.gz WTQLJCSFZFLEHX-MRXNPFEDSA-N -1 0 346.427 2.823 10 0 EFAERM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)Cc1c(Cl)cccc1Cl ZINC000910579546 727451593 /nfs/dbraw/zinc/45/15/93/727451593.db2.gz DICCHUMEDZHYJC-RNCFNFMXSA-N -1 0 346.210 2.674 10 0 EFAERM CC(C)CCC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)C(=O)[O-] ZINC000910579646 727451709 /nfs/dbraw/zinc/45/17/09/727451709.db2.gz YJLIXZJSZISLSR-QGZVFWFLSA-N -1 0 343.427 2.941 10 0 EFAERM COC1(CC(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])CCC1 ZINC000910581880 727451770 /nfs/dbraw/zinc/45/17/70/727451770.db2.gz SKNDHXZFORRURK-AWEZNQCLSA-N -1 0 331.368 2.504 10 0 EFAERM CC(C)CCC[C@H](NC(=O)Cc1nn(C)c2ccccc12)C(=O)[O-] ZINC000910582378 727451875 /nfs/dbraw/zinc/45/18/75/727451875.db2.gz UKWPTYKHIDNTFC-AWEZNQCLSA-N -1 0 331.416 2.512 10 0 EFAERM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)CCCc1ccc(Cl)cc1 ZINC000910584113 727451991 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/nfs/dbraw/zinc/27/95/08/214279508.db2.gz MWWNEHLSRSKERV-KBPBESRZSA-N -1 0 342.395 2.727 10 0 EFAERM CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)s1 ZINC000055580781 214332343 /nfs/dbraw/zinc/33/23/43/214332343.db2.gz KRDHTIRUGOWTTD-UHFFFAOYSA-N -1 0 325.415 2.602 10 0 EFAERM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cc[nH]n1 ZINC000056885954 214393034 /nfs/dbraw/zinc/39/30/34/214393034.db2.gz WRLQIOCOFYNFCR-UHFFFAOYSA-N -1 0 348.409 2.524 10 0 EFAERM CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000098055783 219075361 /nfs/dbraw/zinc/07/53/61/219075361.db2.gz BQBLMOLOESICPS-RUDMXATFSA-N -1 0 332.219 2.610 10 0 EFAERM CC(C)(C)OC(=O)N1C[C@H](Oc2ccccc2F)C[C@@H]1C(=O)[O-] ZINC000098088507 219081929 /nfs/dbraw/zinc/08/19/29/219081929.db2.gz AUSMQEAACFWSDK-ZYHUDNBSSA-N -1 0 325.336 2.667 10 0 EFAERM COc1ccc(O[C@@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000098088644 219081953 /nfs/dbraw/zinc/08/19/53/219081953.db2.gz MTUCDCMXIZTMIN-KGLIPLIRSA-N -1 0 337.372 2.537 10 0 EFAERM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2F)C[C@@H]1C(=O)[O-] ZINC000098088508 219082341 /nfs/dbraw/zinc/08/23/41/219082341.db2.gz AUSMQEAACFWSDK-CMPLNLGQSA-N -1 0 325.336 2.667 10 0 EFAERM CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)[O-] ZINC000098088580 219082426 /nfs/dbraw/zinc/08/24/26/219082426.db2.gz UITCOYFXSDOVAC-QWHCGFSZSA-N -1 0 325.336 2.667 10 0 EFAERM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000098088623 219082445 /nfs/dbraw/zinc/08/24/45/219082445.db2.gz MAFMHYCSEUVBCN-QWHCGFSZSA-N -1 0 325.336 2.667 10 0 EFAERM CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000183577900 529760656 /nfs/dbraw/zinc/76/06/56/529760656.db2.gz FFYITNKLJHRUQW-GFCCVEGCSA-N -1 0 335.354 2.907 10 0 EFAERM COc1ccccc1CSCCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000049478625 214011404 /nfs/dbraw/zinc/01/14/04/214011404.db2.gz BUXPLKUWGYAEJK-CYBMUJFWSA-N -1 0 337.441 2.642 10 0 EFAERM Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)[O-])cc1 ZINC000049466120 214009846 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O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)cnc1N1CCCC1 ZINC000064978636 214819044 /nfs/dbraw/zinc/81/90/44/214819044.db2.gz ZEPIDTFKKDKNFT-UHFFFAOYSA-N -1 0 329.331 2.771 10 0 EFAERM COc1cccc(C(=O)C=C(O)C(=O)Nc2cc(C)ccc2OC)c1 ZINC000101354966 219124250 /nfs/dbraw/zinc/12/42/50/219124250.db2.gz VUNYNVQQBBOZTM-UHFFFAOYSA-N -1 0 341.363 2.793 10 0 EFAERM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(F)c4)c=3c2=O)cc1 ZINC000101417388 219126412 /nfs/dbraw/zinc/12/64/12/219126412.db2.gz LBQHXIJDAPOTPV-JKSUJKDBSA-N -1 0 338.342 2.628 10 0 EFAERM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(C)c(F)c2)s1 ZINC000065183632 214839599 /nfs/dbraw/zinc/83/95/99/214839599.db2.gz XREPROQDQIKOHQ-UHFFFAOYSA-N -1 0 340.405 2.656 10 0 EFAERM COC(=O)Cc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000101505532 219129196 /nfs/dbraw/zinc/12/91/96/219129196.db2.gz PTEXWZUBDHNSPS-UHFFFAOYSA-N -1 0 329.381 2.725 10 0 EFAERM O=C([O-])c1c[nH]c(=O)c(-c2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000065349229 214873430 /nfs/dbraw/zinc/87/34/30/214873430.db2.gz 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ZINC000066045418 215004803 /nfs/dbraw/zinc/00/48/03/215004803.db2.gz YPQKKENABOUHIJ-UHFFFAOYSA-N -1 0 346.293 2.716 10 0 EFAERM C[C@@]12C[C@@H](CC(C)(C)C1)N(S(=O)(=O)c1cccc(C(=O)[O-])c1)C2 ZINC000003884709 210083628 /nfs/dbraw/zinc/08/36/28/210083628.db2.gz ZBSYCERXWWNIEZ-CXAGYDPISA-N -1 0 337.441 2.974 10 0 EFAERM CCC1(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])CCCCC1 ZINC000422628730 282498053 /nfs/dbraw/zinc/49/80/53/282498053.db2.gz BUINJAQPBVPMPV-UHFFFAOYSA-N -1 0 332.400 2.800 10 0 EFAERM CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000408501466 282528486 /nfs/dbraw/zinc/52/84/86/282528486.db2.gz YFEVMKQSGBNOIZ-NXEZZACHSA-N -1 0 327.368 2.744 10 0 EFAERM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c(C)c1 ZINC000102818392 219232681 /nfs/dbraw/zinc/23/26/81/219232681.db2.gz VLNNRKRPMHNALE-HOTGVXAUSA-N -1 0 338.342 2.940 10 0 EFAERM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1F ZINC000102818512 219233292 /nfs/dbraw/zinc/23/32/92/219233292.db2.gz 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219366270 /nfs/dbraw/zinc/36/62/70/219366270.db2.gz PVKHCKOCGPNWBM-VHSXEESVSA-N -1 0 347.234 2.546 10 0 EFAERM C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)c1cc(F)cc(Br)c1 ZINC000104267975 219367930 /nfs/dbraw/zinc/36/79/30/219367930.db2.gz IVFJQHOIMAWDDT-QUBYGPBYSA-N -1 0 348.193 2.576 10 0 EFAERM C[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)c1cc(Br)ccc1F ZINC000104269646 219368035 /nfs/dbraw/zinc/36/80/35/219368035.db2.gz ZFPXHFYGHAJQCZ-WKEGUHRASA-N -1 0 348.193 2.576 10 0 EFAERM Nc1c(Nc2nccs2)ncnc1Nc1ccc(C(=O)[O-])cc1 ZINC000040780984 213386257 /nfs/dbraw/zinc/38/62/57/213386257.db2.gz DPLQVNGLRLYOLQ-UHFFFAOYSA-N -1 0 328.357 2.701 10 0 EFAERM O=C([O-])CCOC1CCN(Cc2csc(Br)c2)CC1 ZINC000104387663 219383736 /nfs/dbraw/zinc/38/37/36/219383736.db2.gz GJGXCJJVMIJZKV-UHFFFAOYSA-N -1 0 348.262 2.966 10 0 EFAERM C[C@@H]1CC(=O)Nc2ccccc2N1Cc1nc(=O)c2sccc2[n-]1 ZINC000069161058 215365378 /nfs/dbraw/zinc/36/53/78/215365378.db2.gz YDKSRZIPOSSACK-SNVBAGLBSA-N -1 0 340.408 2.722 10 0 EFAERM 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ZINC000634940336 480650496 /nfs/dbraw/zinc/65/04/96/480650496.db2.gz AYSICPZFJPGCQF-SZMVWBNQSA-N -1 0 345.439 2.977 10 0 EFAERM CC(C)CO[C@H](C)C(=O)Nc1ccc(-n2ccc(C(=O)[O-])n2)c(F)c1 ZINC000630284164 480651506 /nfs/dbraw/zinc/65/15/06/480651506.db2.gz MXUWTFRUQSLBJG-LLVKDONJSA-N -1 0 349.362 2.709 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3c2OCCCO3)[C@H]2CCC[C@@H]21 ZINC000630284746 480651808 /nfs/dbraw/zinc/65/18/08/480651808.db2.gz OJTWCLQBRSNBSO-NFAWXSAZSA-N -1 0 345.395 2.563 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)c2noc3c2CCCCC3)[C@@H]2CCC[C@@H]21 ZINC000630283947 480651902 /nfs/dbraw/zinc/65/19/02/480651902.db2.gz JHLWGGFZRNVGGE-YRGRVCCFSA-N -1 0 332.400 2.659 10 0 EFAERM CCCCOc1ccc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1 ZINC000630283379 480652019 /nfs/dbraw/zinc/65/20/19/480652019.db2.gz YZZOHKKIHIHUHY-WMLDXEAASA-N -1 0 349.427 2.865 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCCO3)[C@H]2CCC[C@H]21 ZINC000630285417 480652662 /nfs/dbraw/zinc/65/26/62/480652662.db2.gz 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CC1(C)CN(S(=O)(=O)c2cc([O-])cc(F)c2)[C@H]1c1ccco1 ZINC000632615376 480653178 /nfs/dbraw/zinc/65/31/78/480653178.db2.gz FTPCKQRFSUOWMJ-AWEZNQCLSA-N -1 0 325.361 2.896 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)c2occc2Br)[C@H]2CCC[C@@H]21 ZINC000630287217 480653809 /nfs/dbraw/zinc/65/38/09/480653809.db2.gz XATGXVAQHGVBDT-KKZNHRDASA-N -1 0 342.189 2.758 10 0 EFAERM O=C([O-])c1coc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000630287937 480653882 /nfs/dbraw/zinc/65/38/82/480653882.db2.gz FKCBDDKWZUWHFT-GFCCVEGCSA-N -1 0 335.381 2.861 10 0 EFAERM O=C([O-])c1ccn(-c2ccc(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)cc2F)n1 ZINC000630287316 480654200 /nfs/dbraw/zinc/65/42/00/480654200.db2.gz MZWKETHRSLLVKZ-URLYPYJESA-N -1 0 329.331 2.694 10 0 EFAERM CC(C)COCCC(=O)Nc1ccc(-n2ccc(C(=O)[O-])n2)c(F)c1 ZINC000630288054 480654353 /nfs/dbraw/zinc/65/43/53/480654353.db2.gz YIVWAXUUXNHCHM-UHFFFAOYSA-N -1 0 349.362 2.711 10 0 EFAERM COc1ccc(C[C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1 ZINC000630286747 480654409 /nfs/dbraw/zinc/65/44/09/480654409.db2.gz UAOLBCHRAWGTTL-XDKFSHSGSA-N -1 0 345.439 2.976 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)[C@H]2CCC[C@H]21 ZINC000630287176 480654551 /nfs/dbraw/zinc/65/45/51/480654551.db2.gz WUFMFXXBOHEBQP-DQJZQPOSSA-N -1 0 339.435 2.992 10 0 EFAERM O=C([O-])C1(CC(=O)N[C@H](c2ccco2)c2ccccc2)CCOCC1 ZINC000630288345 480655361 /nfs/dbraw/zinc/65/53/61/480655361.db2.gz KRTJUQZKHPGJQI-KRWDZBQOSA-N -1 0 343.379 2.757 10 0 EFAERM O=C([O-])C1CCC(CC(=O)NC[C@@H]2OCCc3ccccc32)CC1 ZINC000630289146 480655453 /nfs/dbraw/zinc/65/54/53/480655453.db2.gz OEMMTWWRNVKAQD-PGEKIEPBSA-N -1 0 331.412 2.698 10 0 EFAERM O=C([O-])C1(CC(=O)NCc2ccc3sccc3c2)CCOCC1 ZINC000630289797 480655894 /nfs/dbraw/zinc/65/58/94/480655894.db2.gz DPBVVPBGTFILGT-UHFFFAOYSA-N -1 0 333.409 2.789 10 0 EFAERM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC000630289723 480655919 /nfs/dbraw/zinc/65/59/19/480655919.db2.gz AJTWQTDGLOCLJB-CABCVRRESA-N -1 0 325.449 2.979 10 0 EFAERM CCCN(Cc1ccc(F)cc1)C(=O)CC1(C(=O)[O-])CCOCC1 ZINC000630291319 480657146 /nfs/dbraw/zinc/65/71/46/480657146.db2.gz SSMFKWHHQGHMEF-UHFFFAOYSA-N -1 0 337.391 2.836 10 0 EFAERM Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc1Br ZINC000634949103 480657458 /nfs/dbraw/zinc/65/74/58/480657458.db2.gz HDYJWMGTLGFPLU-RYUDHWBXSA-N -1 0 340.217 2.875 10 0 EFAERM COc1ccc(N(CCC(C)C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1 ZINC000630294232 480658092 /nfs/dbraw/zinc/65/80/92/480658092.db2.gz HGCSDKZSIOKICB-CVEARBPZSA-N -1 0 335.400 2.707 10 0 EFAERM C[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)O[C@H]1C(=O)[O-] ZINC000630297926 480660258 /nfs/dbraw/zinc/66/02/58/480660258.db2.gz SDCSLUSZUNDAAT-RAEVTNRLSA-N -1 0 335.375 2.758 10 0 EFAERM O=C([O-])[C@@H]1CC[C@@H](C(=O)NC2(Cc3ccccc3)CCCCC2)O1 ZINC000630301119 480661056 /nfs/dbraw/zinc/66/10/56/480661056.db2.gz FCMGVRAORGUKNF-HOTGVXAUSA-N -1 0 331.412 2.680 10 0 EFAERM CC(C)(C(=O)[O-])C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000630299687 480661289 /nfs/dbraw/zinc/66/12/89/480661289.db2.gz NBANKPIRVMCWIT-UHFFFAOYSA-N -1 0 344.180 2.584 10 0 EFAERM CCCOc1ccc(NC(=O)CC2(C(=O)[O-])CCOCC2)cc1F ZINC000630302402 480661822 /nfs/dbraw/zinc/66/18/22/480661822.db2.gz AWKVXQURGVBEDS-UHFFFAOYSA-N -1 0 339.363 2.825 10 0 EFAERM C[C@@H]1CN(C(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)C[C@@]1(C)C(=O)[O-] ZINC000630304077 480662792 /nfs/dbraw/zinc/66/27/92/480662792.db2.gz BKCFOHXEXBFBJG-CKUKBARFSA-N -1 0 339.338 2.656 10 0 EFAERM Cc1cc(Br)c2c(c1)CCN(C(=O)C1(C(=O)[O-])CC1)C2 ZINC000630304380 480662916 /nfs/dbraw/zinc/66/29/16/480662916.db2.gz HMLKGNIVNMSWBV-UHFFFAOYSA-N -1 0 338.201 2.507 10 0 EFAERM C[C@@H]1CN(C(=O)C[C@@H]2OCc3cc(Cl)ccc32)C[C@@]1(C)C(=O)[O-] ZINC000630304507 480663214 /nfs/dbraw/zinc/66/32/14/480663214.db2.gz JIRIIVMKGQPOLK-OVWKYPIYSA-N -1 0 337.803 2.871 10 0 EFAERM CCOc1ccc(N(CC2CC2)C(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)cc1 ZINC000630306374 480664076 /nfs/dbraw/zinc/66/40/76/480664076.db2.gz YVOKWDLOTCYEIX-ZLIFDBKOSA-N -1 0 347.411 2.707 10 0 EFAERM CO[C@H]1CN(C(=O)CCC(C)(C)c2ccccc2)[C@@](C)(C(=O)[O-])C1 ZINC000630308874 480664826 /nfs/dbraw/zinc/66/48/26/480664826.db2.gz DBRCHVLHVRTOCW-DNVCBOLYSA-N -1 0 333.428 2.835 10 0 EFAERM CC[C@H](Cc1ccccc1C)C(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000630309491 480664830 /nfs/dbraw/zinc/66/48/30/480664830.db2.gz FPPBCOPHMFKRMW-OGWOLHLISA-N -1 0 333.428 2.654 10 0 EFAERM CO[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)[C@](C)(C(=O)[O-])C1 ZINC000630309892 480664890 /nfs/dbraw/zinc/66/48/90/480664890.db2.gz IKNHWIJWZGGRRQ-SJCJKPOMSA-N -1 0 346.408 2.514 10 0 EFAERM CO[C@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)[C@](C)(C(=O)[O-])C1 ZINC000630309889 480664903 /nfs/dbraw/zinc/66/49/03/480664903.db2.gz IKNHWIJWZGGRRQ-PXAZEXFGSA-N -1 0 346.408 2.514 10 0 EFAERM CO[C@@H]1CN(C(=O)c2ccc(OC3CCCC3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC000630309907 480665206 /nfs/dbraw/zinc/66/52/06/480665206.db2.gz ILSCGKQJLMGVLH-QFBILLFUSA-N -1 0 347.411 2.712 10 0 EFAERM CO[C@@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)[C@@](C)(C(=O)[O-])C1 ZINC000630311349 480665849 /nfs/dbraw/zinc/66/58/49/480665849.db2.gz LQDUYTBCWYTGNG-MAUKXSAKSA-N -1 0 329.352 2.651 10 0 EFAERM CO[C@@H]1CN(C(=O)[C@H](C)Oc2cccc(C(C)C)c2)[C@@](C)(C(=O)[O-])C1 ZINC000630311135 480665862 /nfs/dbraw/zinc/66/58/62/480665862.db2.gz LHFRSNOGEFWRII-IYJAJMOOSA-N -1 0 349.427 2.668 10 0 EFAERM CO[C@H]1CN(C(=O)Cc2cc(Cl)cc(Cl)c2)[C@@](C)(C(=O)[O-])C1 ZINC000630311387 480666035 /nfs/dbraw/zinc/66/60/35/480666035.db2.gz AKLTVZDHSFSDAK-IUODEOHRSA-N -1 0 346.210 2.627 10 0 EFAERM CO[C@@H]1CN(C(=O)c2cc(SC)ccc2Cl)[C@@](C)(C(=O)[O-])C1 ZINC000630311915 480666244 /nfs/dbraw/zinc/66/62/44/480666244.db2.gz SVSCXPCCYGNLHB-BJOHPYRUSA-N -1 0 343.832 2.766 10 0 EFAERM CO[C@H]1CN(C(=O)CCSc2ccc(C)cc2)[C@](C)(C(=O)[O-])C1 ZINC000630309982 480666326 /nfs/dbraw/zinc/66/63/26/480666326.db2.gz MEXSLJPPRDTBSA-DYVFJYSZSA-N -1 0 337.441 2.568 10 0 EFAERM CO[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(C(C)C)c2)[C@@](C)(C(=O)[O-])C1 ZINC000630311132 480666333 /nfs/dbraw/zinc/66/63/33/480666333.db2.gz LHFRSNOGEFWRII-ACWOFJMJSA-N -1 0 349.427 2.668 10 0 EFAERM CCOc1cc(C(=O)N[C@@]23C[C@@H]2CCCC3)ccc1OCC(=O)[O-] ZINC000630317708 480667538 /nfs/dbraw/zinc/66/75/38/480667538.db2.gz SYWJGQSJSFENBH-UGSOOPFHSA-N -1 0 333.384 2.611 10 0 EFAERM CCc1ccc2occ(C(=O)N3C[C@@H](OC)C[C@@]3(C)C(=O)[O-])c2c1 ZINC000630315431 480667737 /nfs/dbraw/zinc/66/77/37/480667737.db2.gz WBOQLFYVBWZVLL-SGTLLEGYSA-N -1 0 331.368 2.699 10 0 EFAERM CO[C@H]1CN(C(=O)c2cc(C)c(C)cc2Cl)[C@@](C)(C(=O)[O-])C1 ZINC000630315346 480667806 /nfs/dbraw/zinc/66/78/06/480667806.db2.gz VGWWJDXZGGCLKP-BDJLRTHQSA-N -1 0 325.792 2.661 10 0 EFAERM CO[C@@H]1CN(C(=O)CCc2ccc(C(F)F)cc2)[C@](C)(C(=O)[O-])C1 ZINC000630318900 480668528 /nfs/dbraw/zinc/66/85/28/480668528.db2.gz ZMSVPFQKXFHMKC-GUYCJALGSA-N -1 0 341.354 2.647 10 0 EFAERM O=C([O-])C12CCC(CC1)N2C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000630321853 480669996 /nfs/dbraw/zinc/66/99/96/480669996.db2.gz KGYCMJQMXNVDME-TXGJIORVSA-N -1 0 331.799 2.834 10 0 EFAERM Cc1nc(-c2ccco2)ccc1C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000630323730 480670569 /nfs/dbraw/zinc/67/05/69/480670569.db2.gz HRWYDMPCUIBIAS-UHFFFAOYSA-N -1 0 326.352 2.872 10 0 EFAERM Cc1cc(C(=O)CCC(=O)N2C3CCC2(C(=O)[O-])CC3)c(C)s1 ZINC000630323696 480670619 /nfs/dbraw/zinc/67/06/19/480670619.db2.gz HDGXKVKQJYGVBD-UHFFFAOYSA-N -1 0 335.425 2.936 10 0 EFAERM O=C([O-])C12CCC(CC1)N2C(=O)c1cc(Br)cs1 ZINC000630323240 480670871 /nfs/dbraw/zinc/67/08/71/480670871.db2.gz CGXBJOVKRHLZQZ-UHFFFAOYSA-N -1 0 330.203 2.732 10 0 EFAERM O=C([O-])C12CCC(CC1)N2C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000630323470 480670908 /nfs/dbraw/zinc/67/09/08/480670908.db2.gz BWPORBJKUNGGSL-UHFFFAOYSA-N -1 0 343.301 2.736 10 0 EFAERM CC(C)COc1ccc(CC(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC000630325023 480671929 /nfs/dbraw/zinc/67/19/29/480671929.db2.gz PAPFJQUOKCXMME-UHFFFAOYSA-N -1 0 331.412 2.872 10 0 EFAERM O=C([O-])C12CCC(CC1)N2C(=O)CCCOCCc1ccccc1 ZINC000630324194 480671973 /nfs/dbraw/zinc/67/19/73/480671973.db2.gz IIIJAMUDYBSNJL-UHFFFAOYSA-N -1 0 331.412 2.634 10 0 EFAERM O=C([O-])C12CCC(CC1)N2C(=O)CCCOc1ccc(F)cc1F ZINC000630326149 480672628 /nfs/dbraw/zinc/67/26/28/480672628.db2.gz WZQMZJMVGNKFEI-UHFFFAOYSA-N -1 0 339.338 2.732 10 0 EFAERM CC(C)c1noc(CCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC000630327201 480672789 /nfs/dbraw/zinc/67/27/89/480672789.db2.gz ANQKVGAKXWQSLD-UONOGXRCSA-N -1 0 343.383 2.952 10 0 EFAERM O=C([O-])C12CCC(CC1)N2C(=O)c1cc(F)ccc1Br ZINC000630326591 480672872 /nfs/dbraw/zinc/67/28/72/480672872.db2.gz VSUHKYSNISTDOE-UHFFFAOYSA-N -1 0 342.164 2.810 10 0 EFAERM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1cc(F)c(C)cc1F ZINC000630330476 480675151 /nfs/dbraw/zinc/67/51/51/480675151.db2.gz CPTXZBAOIKBQSK-UHFFFAOYSA-N -1 0 337.326 2.814 10 0 EFAERM Cc1cc(CNC(=O)c2cccc([C@H]3CCOC3)c2)oc1C(=O)[O-] ZINC000630330656 480675195 /nfs/dbraw/zinc/67/51/95/480675195.db2.gz HJEGAVMNPZHOIC-AWEZNQCLSA-N -1 0 329.352 2.720 10 0 EFAERM COCC1(CCN=c2[n-]c(-c3cc(F)cc(OC)c3)no2)CCC1 ZINC000624245598 480675311 /nfs/dbraw/zinc/67/53/11/480675311.db2.gz KMEFLQVBPUFGSH-UHFFFAOYSA-N -1 0 335.379 2.925 10 0 EFAERM CCOc1cccc(C(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)c1 ZINC000630332349 480675556 /nfs/dbraw/zinc/67/55/56/480675556.db2.gz GCCPJONDEGKYAD-UHFFFAOYSA-N -1 0 331.372 2.626 10 0 EFAERM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000630333045 480675611 /nfs/dbraw/zinc/67/56/11/480675611.db2.gz QQZWFVBGCMMYGI-CQSZACIVSA-N -1 0 345.424 2.630 10 0 EFAERM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)CCCC1CCOCC1 ZINC000630332108 480675732 /nfs/dbraw/zinc/67/57/32/480675732.db2.gz SOZUHZANDIVYOT-UHFFFAOYSA-N -1 0 337.420 2.510 10 0 EFAERM COc1cc(C(=O)NCc2cc(C)c(C(=O)[O-])o2)cc(OC)c1C ZINC000630333124 480675835 /nfs/dbraw/zinc/67/58/35/480675835.db2.gz NCICWKKKLSDEED-UHFFFAOYSA-N -1 0 333.340 2.542 10 0 EFAERM CCCc1cc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)sc1C ZINC000630334295 480676589 /nfs/dbraw/zinc/67/65/89/480676589.db2.gz CKROPIOVHJUESF-MRXNPFEDSA-N -1 0 325.430 2.620 10 0 EFAERM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000630333635 480676616 /nfs/dbraw/zinc/67/66/16/480676616.db2.gz AQXZCKXJZVCXAW-LBPRGKRZSA-N -1 0 349.362 2.520 10 0 EFAERM O=C([O-])[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)CCCOC1 ZINC000630334825 480676659 /nfs/dbraw/zinc/67/66/59/480676659.db2.gz JWBAFONMFDNLEF-INIZCTEOSA-N -1 0 337.759 2.697 10 0 EFAERM COc1cc(C(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)ccc1C ZINC000630333875 480676917 /nfs/dbraw/zinc/67/69/17/480676917.db2.gz MERAFIOSQFNAEE-UHFFFAOYSA-N -1 0 331.372 2.544 10 0 EFAERM O=C([O-])[C@]1(CNC(=O)C2(c3ccccc3F)CCCC2)CCCOC1 ZINC000630334077 480677115 /nfs/dbraw/zinc/67/71/15/480677115.db2.gz AHJKAWQPHOVGHC-SFHVURJKSA-N -1 0 349.402 2.635 10 0 EFAERM O=C([O-])[C@]1(CNC(=O)CCc2ccc3ccccc3c2)CCCOC1 ZINC000630334632 480677240 /nfs/dbraw/zinc/67/72/40/480677240.db2.gz BABKAMXKQVFFAV-FQEVSTJZSA-N -1 0 341.407 2.770 10 0 EFAERM CC(C)Sc1ccccc1C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000630337087 480677781 /nfs/dbraw/zinc/67/77/81/480677781.db2.gz 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CCCCCC[C@](C)(NC(=O)CC1CCN(OC)CC1)C(=O)[O-] ZINC000909430897 723164169 /nfs/dbraw/zinc/16/41/69/723164169.db2.gz OEOJPTXXLBSORT-KRWDZBQOSA-N -1 0 328.453 2.580 10 0 EFAERM Cc1c(C(=O)NC[C@H](C)CC(=O)[O-])cnn1-c1ccccc1Cl ZINC000262258847 723191487 /nfs/dbraw/zinc/19/14/87/723191487.db2.gz UBLWNJBCQUDLMG-SNVBAGLBSA-N -1 0 335.791 2.675 10 0 EFAERM CC(C)(C)OCC[C@H](NC(=O)CCc1cccc(F)c1F)C(=O)[O-] ZINC000262259838 723201716 /nfs/dbraw/zinc/20/17/16/723201716.db2.gz WMKWGVSZVZMJQW-ZDUSSCGKSA-N -1 0 343.370 2.672 10 0 EFAERM Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000262111552 723235245 /nfs/dbraw/zinc/23/52/45/723235245.db2.gz OISBYOUDXKMDKG-BLLLJJGKSA-N -1 0 343.427 2.781 10 0 EFAERM CC(C)(C)OCC[C@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)[O-] ZINC000262264136 723249653 /nfs/dbraw/zinc/24/96/53/723249653.db2.gz XFDVQURUCGERET-INIZCTEOSA-N -1 0 344.411 2.866 10 0 EFAERM CC(C)(C)OCC[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)[O-] ZINC000262123041 723289954 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Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CN1CCc2ccccc21 ZINC000262138255 723363927 /nfs/dbraw/zinc/36/39/27/723363927.db2.gz RQENYQXAWMKHBD-KRWDZBQOSA-N -1 0 338.407 2.690 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)c1cccc(NCc2ccccn2)c1 ZINC000909450563 723371223 /nfs/dbraw/zinc/37/12/23/723371223.db2.gz QQHYBWZJUCDDAG-ZDUSSCGKSA-N -1 0 327.384 2.677 10 0 EFAERM CC(C)(NC(=O)c1ccc(C(F)(F)F)c(O)c1)C(=O)N1CCCC1 ZINC000923864536 728815768 /nfs/dbraw/zinc/81/57/68/728815768.db2.gz FKHLVOQDTUXDDI-UHFFFAOYSA-N -1 0 344.333 2.542 10 0 EFAERM COC[C@@]1(C(=O)[O-])CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000262280197 723387238 /nfs/dbraw/zinc/38/72/38/723387238.db2.gz UMKBFTIHVUNMKY-RASIUVLRSA-N -1 0 349.471 2.933 10 0 EFAERM COC[C@]1(C(=O)[O-])CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000262280193 723387424 /nfs/dbraw/zinc/38/74/24/723387424.db2.gz UMKBFTIHVUNMKY-AOGGBWSVSA-N -1 0 349.471 2.933 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000909451833 723391248 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CN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000132656678 472747791 /nfs/dbraw/zinc/74/77/91/472747791.db2.gz GWDRMQCBYRUKHA-QWHCGFSZSA-N -1 0 340.217 2.908 10 0 EFAERM COc1ccc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])cc1Br ZINC000133104107 472774584 /nfs/dbraw/zinc/77/45/84/472774584.db2.gz DETIEOAFEDARTD-NXEZZACHSA-N -1 0 342.189 2.897 10 0 EFAERM CCc1ccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1CC ZINC000091579059 472780058 /nfs/dbraw/zinc/78/00/58/472780058.db2.gz PTWRIXFWMOEGSO-MRXNPFEDSA-N -1 0 349.456 2.770 10 0 EFAERM CCCCS(=O)(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000047980138 472792689 /nfs/dbraw/zinc/79/26/89/472792689.db2.gz PIPFRSRFFQJXBG-UHFFFAOYSA-N -1 0 336.207 2.689 10 0 EFAERM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3c(C)nn(C)c3C)c2)o1 ZINC000133366708 472796259 /nfs/dbraw/zinc/79/62/59/472796259.db2.gz FFFSSVDSTLYNAE-UHFFFAOYSA-N -1 0 346.412 2.801 10 0 EFAERM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000613471605 480010630 /nfs/dbraw/zinc/01/06/30/480010630.db2.gz BBGXNFVFAUSMNN-UHFFFAOYSA-N -1 0 326.360 2.644 10 0 EFAERM O=c1nc(CN2CCO[C@@H](c3cccs3)C2)[n-]c2ccsc21 ZINC000157711909 472850698 /nfs/dbraw/zinc/85/06/98/472850698.db2.gz YANHIYOGTUPSKH-LLVKDONJSA-N -1 0 333.438 2.620 10 0 EFAERM CCC(=O)Nc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000064611038 472866222 /nfs/dbraw/zinc/86/62/22/472866222.db2.gz RMLNYKOQPFBRAO-INIZCTEOSA-N -1 0 336.413 2.572 10 0 EFAERM O=C([O-])[C@]1(CC(=O)NCc2ccccc2OC(F)F)CCSC1 ZINC000064610694 472866467 /nfs/dbraw/zinc/86/64/67/472866467.db2.gz ZAUGKYKRAKOORZ-HNNXBMFYSA-N -1 0 345.367 2.502 10 0 EFAERM CCn1c(S[C@H](C)C(=O)[O-])nnc1-c1ccc2c(c1)OCCCO2 ZINC000064987270 472890037 /nfs/dbraw/zinc/89/00/37/472890037.db2.gz HDPYKSBTUYIMLS-SNVBAGLBSA-N -1 0 349.412 2.692 10 0 EFAERM Cc1cn(C)c(CC(=O)N[C@H](C)CCc2ccccc2)c1C(=O)[O-] ZINC000064980566 472890563 /nfs/dbraw/zinc/89/05/63/472890563.db2.gz YWYOIJQCMWTPDD-CQSZACIVSA-N -1 0 328.412 2.712 10 0 EFAERM O=C(Nc1ccc(F)cc1N1CCOCC1)c1c([O-])cccc1F ZINC000622697925 480016683 /nfs/dbraw/zinc/01/66/83/480016683.db2.gz XEHIUCCRAPHTCQ-UHFFFAOYSA-N -1 0 334.322 2.759 10 0 EFAERM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)cc1 ZINC000065119397 472900196 /nfs/dbraw/zinc/90/01/96/472900196.db2.gz HKHHYKUXUXVZQT-UHFFFAOYSA-N -1 0 347.421 2.608 10 0 EFAERM COc1cccc([N-]S(=O)(=O)c2cc(-c3ccnn3C)cs2)c1 ZINC000065112330 472900851 /nfs/dbraw/zinc/90/08/51/472900851.db2.gz RSARGIVSQYBACC-UHFFFAOYSA-N -1 0 349.437 2.958 10 0 EFAERM O=S(=O)([N-]c1cc(-c2ccncc2)no1)c1ccc(F)c(F)c1 ZINC000065153388 472902301 /nfs/dbraw/zinc/90/23/01/472902301.db2.gz PPQJFGOYRPMTTJ-UHFFFAOYSA-N -1 0 337.307 2.816 10 0 EFAERM CCc1nc2sc(C)nn2c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000065183880 472905486 /nfs/dbraw/zinc/90/54/86/472905486.db2.gz GTHTVGPJSYLECO-UHFFFAOYSA-N -1 0 340.405 2.602 10 0 EFAERM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cc(C)ccc2F)s1 ZINC000065183663 472906123 /nfs/dbraw/zinc/90/61/23/472906123.db2.gz SLMGYYTVVVLRNY-UHFFFAOYSA-N -1 0 340.405 2.656 10 0 EFAERM CCc1ccccc1[N-]S(=O)(=O)c1c(C)nc2sc(C)nn21 ZINC000065183588 472906185 /nfs/dbraw/zinc/90/61/85/472906185.db2.gz UAIQACRPVAEHAL-UHFFFAOYSA-N -1 0 336.442 2.771 10 0 EFAERM Cn1c2ccsc2c([O-])c(C(=O)Nc2cc(F)cc(F)c2)c1=O ZINC000065215383 472908684 /nfs/dbraw/zinc/90/86/84/472908684.db2.gz LCWOKLMCFNZPDQ-UHFFFAOYSA-N -1 0 336.319 2.836 10 0 EFAERM CCOc1ccc(NC(=O)c2c([O-])c3sccc3n(C)c2=O)cc1 ZINC000065215364 472908739 /nfs/dbraw/zinc/90/87/39/472908739.db2.gz JWEZLMWJKMLIQC-UHFFFAOYSA-N -1 0 344.392 2.957 10 0 EFAERM C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)NC(C)(C)C ZINC000106911046 472910054 /nfs/dbraw/zinc/91/00/54/472910054.db2.gz MYRFFKDYYABEMF-ZETCQYMHSA-N -1 0 333.215 2.732 10 0 EFAERM Cn1cc(CCCNC(=O)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000106915670 472912853 /nfs/dbraw/zinc/91/28/53/472912853.db2.gz KPWHXTVGYQWSNS-UHFFFAOYSA-N -1 0 328.199 2.795 10 0 EFAERM O=C(NCc1nccc(C(F)(F)F)n1)c1cc(F)c([O-])c(Cl)c1 ZINC000622705492 480017614 /nfs/dbraw/zinc/01/76/14/480017614.db2.gz VPQFZWWXVAOYSL-UHFFFAOYSA-N -1 0 349.671 2.924 10 0 EFAERM Cc1nc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)c[nH]1 ZINC000158293871 472919594 /nfs/dbraw/zinc/91/95/94/472919594.db2.gz BQQYWFKXCPFAAP-UHFFFAOYSA-N -1 0 335.429 2.978 10 0 EFAERM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC4(C3)CCCO4)n2)cc1 ZINC000628787649 480019098 /nfs/dbraw/zinc/01/90/98/480019098.db2.gz ORNPVUUJFNCUPL-UHFFFAOYSA-N -1 0 341.411 2.706 10 0 EFAERM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC(F)(F)F ZINC000134702349 472955344 /nfs/dbraw/zinc/95/53/44/472955344.db2.gz CWNGWVJWRRHCLH-SECBINFHSA-N -1 0 333.372 2.528 10 0 EFAERM C[C@@H](Cn1cncn1)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080003319 472959589 /nfs/dbraw/zinc/95/95/89/472959589.db2.gz DUZASSGPEHULNX-JTQLQIEISA-N -1 0 330.775 2.609 10 0 EFAERM O=S(=O)([N-]c1cccc(-c2ncon2)c1)c1cc(F)cc(F)c1 ZINC000158761436 472965410 /nfs/dbraw/zinc/96/54/10/472965410.db2.gz ZXLSLPDUGZHURE-UHFFFAOYSA-N -1 0 337.307 2.816 10 0 EFAERM O=C(Cc1cccc2cccnc21)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000065523634 472966047 /nfs/dbraw/zinc/96/60/47/472966047.db2.gz HSKZXZGHNAWBKL-UHFFFAOYSA-N -1 0 346.346 2.759 10 0 EFAERM CC(C)Oc1cccc(CNC(=O)N[C@](C)(C(=O)[O-])c2ccco2)c1 ZINC000065554045 472974790 /nfs/dbraw/zinc/97/47/90/472974790.db2.gz MQDAHOWKRACQJK-SFHVURJKSA-N -1 0 346.383 2.866 10 0 EFAERM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000080102686 472976688 /nfs/dbraw/zinc/97/66/88/472976688.db2.gz NDYLWGFVJGNUNC-LJQANCHMSA-N -1 0 341.411 2.611 10 0 EFAERM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000080102681 472976948 /nfs/dbraw/zinc/97/69/48/472976948.db2.gz NDYLWGFVJGNUNC-IBGZPJMESA-N -1 0 341.411 2.611 10 0 EFAERM C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)c1cccc(Br)c1 ZINC000050292247 472987268 /nfs/dbraw/zinc/98/72/68/472987268.db2.gz OASBOIROIPYVAW-SECBINFHSA-N -1 0 326.190 2.881 10 0 EFAERM CC(C)CS(=O)(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000080187973 472991894 /nfs/dbraw/zinc/99/18/94/472991894.db2.gz NXSBWBXPKNOAFB-UHFFFAOYSA-N -1 0 336.207 2.545 10 0 EFAERM Cc1ccc(C)c(S([O-])=CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000107965892 472992594 /nfs/dbraw/zinc/99/25/94/472992594.db2.gz YGKRYQKFMDLOAH-PBPSECFOSA-N -1 0 335.469 2.581 10 0 EFAERM Cc1cc(CS(=O)(=O)C=C([O-])c2cc(C)n(C(C)C)c2C)no1 ZINC000065651668 472997177 /nfs/dbraw/zinc/99/71/77/472997177.db2.gz DAURJZYOTZSDQZ-UHFFFAOYSA-N -1 0 338.429 2.780 10 0 EFAERM O=C([O-])c1cc(NS(=O)(=O)CC2CCC2)ccc1Br ZINC000092865955 472999499 /nfs/dbraw/zinc/99/94/99/472999499.db2.gz TXTHSFZHRCAIPG-UHFFFAOYSA-N -1 0 348.218 2.689 10 0 EFAERM Cc1c(F)cccc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000092864877 473000034 /nfs/dbraw/zinc/00/00/34/473000034.db2.gz UCGUQJZTFIWMTB-UHFFFAOYSA-N -1 0 332.360 2.720 10 0 EFAERM Cc1ccccc1S([O-])=CC(=O)N1CCC(c2ccccc2)=N1 ZINC000108088599 473000429 /nfs/dbraw/zinc/00/04/29/473000429.db2.gz FWPZLLDMEKJYOC-QHCPKHFHSA-N -1 0 326.421 2.739 10 0 EFAERM CCCc1cc([N-]S(=O)(=O)c2cccc3ncccc32)n(C)n1 ZINC000092876771 473000764 /nfs/dbraw/zinc/00/07/64/473000764.db2.gz ZKPBEUFOJKDHTL-UHFFFAOYSA-N -1 0 330.413 2.722 10 0 EFAERM CCc1ccc(S(=O)(=O)N2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000050923033 473013653 /nfs/dbraw/zinc/01/36/53/473013653.db2.gz RSKSWOWLDFTLJC-NSHDSACASA-N -1 0 331.459 2.719 10 0 EFAERM COc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000065833654 473016534 /nfs/dbraw/zinc/01/65/34/473016534.db2.gz MCIUTFNFVBUKEI-UHFFFAOYSA-N -1 0 341.772 2.848 10 0 EFAERM C[C@H](OCC(F)(F)F)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000108358875 473017072 /nfs/dbraw/zinc/01/70/72/473017072.db2.gz SIHHETXZQPPSOG-JBLDHEPKSA-N -1 0 333.306 2.532 10 0 EFAERM COc1ccc(CCNC(=O)c2c([O-])cc(F)cc2F)cc1OC ZINC000066041627 473040261 /nfs/dbraw/zinc/04/02/61/473040261.db2.gz GQIPOJYUKCMTKA-UHFFFAOYSA-N -1 0 337.322 2.660 10 0 EFAERM O=C(NCc1cccc(Cn2cccn2)c1)c1c([O-])cc(F)cc1F ZINC000066048611 473041278 /nfs/dbraw/zinc/04/12/78/473041278.db2.gz RCOHWJXLZNBQOF-UHFFFAOYSA-N -1 0 343.333 2.845 10 0 EFAERM O=C(Nc1ncn(Cc2ccccc2)n1)c1c([O-])cc(F)cc1F ZINC000066048228 473041952 /nfs/dbraw/zinc/04/19/52/473041952.db2.gz RLUPFOQXJPWKGP-UHFFFAOYSA-N -1 0 330.294 2.563 10 0 EFAERM O=C(NCc1ccccc1-n1ccnc1)c1c([O-])cc(F)cc1F ZINC000066051017 473043227 /nfs/dbraw/zinc/04/32/27/473043227.db2.gz AVYHNYBHMBKFBD-UHFFFAOYSA-N -1 0 329.306 2.786 10 0 EFAERM Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@]2(C)C(=O)[O-])c(C)s1 ZINC000135572390 473095442 /nfs/dbraw/zinc/09/54/42/473095442.db2.gz NXOCSNIPGKKZNE-JSGCOSHPSA-N -1 0 331.459 2.677 10 0 EFAERM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(N(C)C)c(C)c1 ZINC000109424887 473099709 /nfs/dbraw/zinc/09/97/09/473099709.db2.gz BQRFFXOUBOZFBU-UHFFFAOYSA-N -1 0 342.852 2.557 10 0 EFAERM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1OC ZINC000074937023 473100706 /nfs/dbraw/zinc/10/07/06/473100706.db2.gz AIYTVJAEUBCZLZ-UHFFFAOYSA-N -1 0 349.408 2.899 10 0 EFAERM CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000066607793 473123323 /nfs/dbraw/zinc/12/33/23/473123323.db2.gz AGVMVQXIRCJHNO-UHFFFAOYSA-N -1 0 338.816 2.891 10 0 EFAERM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1c([O-])cc(F)cc1F ZINC000075095838 473123388 /nfs/dbraw/zinc/12/33/88/473123388.db2.gz KHOBYHYOIPZBIS-ZDUSSCGKSA-N -1 0 335.306 2.933 10 0 EFAERM O=C([O-])c1cc(F)ccc1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000066607873 473124205 /nfs/dbraw/zinc/12/42/05/473124205.db2.gz XTQHDUGSWWJRDM-UHFFFAOYSA-N -1 0 327.308 2.605 10 0 EFAERM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000136128754 473136888 /nfs/dbraw/zinc/13/68/88/473136888.db2.gz MYTPETBQOPLFTO-AWEZNQCLSA-N -1 0 335.375 2.689 10 0 EFAERM COc1ccccc1O[C@@H](C)CNC(=O)c1c([O-])cc(F)cc1F ZINC000075180348 473147165 /nfs/dbraw/zinc/14/71/65/473147165.db2.gz SSVUGASUAPRZMK-JTQLQIEISA-N -1 0 337.322 2.876 10 0 EFAERM O=C(N=c1ccn(C2CCSCC2)[nH]1)c1cc(F)c([O-])c(F)c1 ZINC000633861284 480032400 /nfs/dbraw/zinc/03/24/00/480032400.db2.gz DKNZSERUEQPYAC-UHFFFAOYSA-N -1 0 339.367 2.609 10 0 EFAERM COC(=O)c1ccc(S(=O)(=O)[N-]c2cncc(C)c2)cc1Cl ZINC000137183084 473197657 /nfs/dbraw/zinc/19/76/57/473197657.db2.gz GXOLNOGEPWLQFO-UHFFFAOYSA-N -1 0 340.788 2.631 10 0 EFAERM O=C(c1cc(F)cc(Cl)c1[O-])N1CCO[C@H](c2nccs2)C1 ZINC000151112670 473409943 /nfs/dbraw/zinc/40/99/43/473409943.db2.gz PFZIGKJSIIOYGT-NSHDSACASA-N -1 0 342.779 2.855 10 0 EFAERM Cn1cnnc1-c1ccc(NC(=O)c2cnc3ccccc3c2O)cc1 ZINC000113739748 473415844 /nfs/dbraw/zinc/41/58/44/473415844.db2.gz YPSIKVPSPJTJDC-UHFFFAOYSA-N -1 0 345.362 2.576 10 0 EFAERM CC(C)(C)c1nc(=NC(=O)[C@@H]2COC[C@H]2c2ccccc2)s[n-]1 ZINC000622795481 480037309 /nfs/dbraw/zinc/03/73/09/480037309.db2.gz PTWQPHPWQBJYDJ-QWHCGFSZSA-N -1 0 331.441 2.626 10 0 EFAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@H](n2cncn2)C1 ZINC000171619165 473422295 /nfs/dbraw/zinc/42/22/95/473422295.db2.gz FTKIEFLLILSRBU-VIFPVBQESA-N -1 0 341.198 2.768 10 0 EFAERM CCOC[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000113988618 473430667 /nfs/dbraw/zinc/43/06/67/473430667.db2.gz GFIMRXUIKXEJAE-CYBMUJFWSA-N -1 0 347.390 2.606 10 0 EFAERM O=C([O-])[C@@H](CNC(=O)c1nccc2ccccc21)Cc1ccccc1 ZINC000190959079 473440260 /nfs/dbraw/zinc/44/02/60/473440260.db2.gz PWKIDKPUSYATAC-MRXNPFEDSA-N -1 0 334.375 2.908 10 0 EFAERM O=C([O-])[C@H](CNC(=O)C1CCC(F)(F)CC1)Cc1ccccc1 ZINC000190959100 473440868 /nfs/dbraw/zinc/44/08/68/473440868.db2.gz LWFOOICHBYOGGT-AWEZNQCLSA-N -1 0 325.355 2.872 10 0 EFAERM COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000171751082 473452026 /nfs/dbraw/zinc/45/20/26/473452026.db2.gz SQZNZRJYGNLGLG-UHFFFAOYSA-N -1 0 341.335 2.861 10 0 EFAERM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000096500392 473452497 /nfs/dbraw/zinc/45/24/97/473452497.db2.gz DYOLULXZLSJBJK-SJORKVTESA-N -1 0 332.363 2.673 10 0 EFAERM CCc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)OC)cc1F ZINC000151431943 473455981 /nfs/dbraw/zinc/45/59/81/473455981.db2.gz VLYYIRFMNMBSTO-UHFFFAOYSA-N -1 0 337.372 2.976 10 0 EFAERM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000171772759 473457362 /nfs/dbraw/zinc/45/73/62/473457362.db2.gz ZBXLAXFQTSCFPG-UHFFFAOYSA-N -1 0 332.303 2.931 10 0 EFAERM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000178320737 473490588 /nfs/dbraw/zinc/49/05/88/473490588.db2.gz HBOLHVOIJQECOP-KBPBESRZSA-N -1 0 336.457 2.629 10 0 EFAERM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000171955667 473490882 /nfs/dbraw/zinc/49/08/82/473490882.db2.gz GBEMELQHRJZZMR-UHFFFAOYSA-N -1 0 348.380 2.965 10 0 EFAERM CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185708153 473492997 /nfs/dbraw/zinc/49/29/97/473492997.db2.gz QWBFJPILSJOQTQ-SNVBAGLBSA-N -1 0 332.183 2.867 10 0 EFAERM C[C@H](CCC(=O)[O-])NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000191157422 473493596 /nfs/dbraw/zinc/49/35/96/473493596.db2.gz GVYLAHWSSJUSJM-GFCCVEGCSA-N -1 0 340.379 2.667 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000191157405 473493666 /nfs/dbraw/zinc/49/36/66/473493666.db2.gz GVYLAHWSSJUSJM-LBPRGKRZSA-N -1 0 340.379 2.667 10 0 EFAERM CCc1noc(C)c1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000164856854 473499603 /nfs/dbraw/zinc/49/96/03/473499603.db2.gz CKMUDGOPLFPZEU-UHFFFAOYSA-N -1 0 346.412 2.591 10 0 EFAERM COCCC1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](c3ccccc3)C2)CC1 ZINC000191197771 473504518 /nfs/dbraw/zinc/50/45/18/473504518.db2.gz NHINAULWPZMKJE-JKSUJKDBSA-N -1 0 331.412 2.520 10 0 EFAERM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1 ZINC000126805098 473547468 /nfs/dbraw/zinc/54/74/68/473547468.db2.gz JKFRMBMKWWPWPT-UHFFFAOYSA-N -1 0 349.412 2.655 10 0 EFAERM O=C([O-])C[C@@H](NC(=O)Cc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000170047844 473550584 /nfs/dbraw/zinc/55/05/84/473550584.db2.gz QFOLWZFBRHPFFR-GOSISDBHSA-N -1 0 349.390 2.747 10 0 EFAERM CCc1cnccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000170077785 473552369 /nfs/dbraw/zinc/55/23/69/473552369.db2.gz NNTHGCQQFKFLAH-UHFFFAOYSA-N -1 0 338.816 2.557 10 0 EFAERM O=C([O-])c1coc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c1 ZINC000191570551 473556119 /nfs/dbraw/zinc/55/61/19/473556119.db2.gz UQHOSNYSYFAOKV-UHFFFAOYSA-N -1 0 328.324 2.747 10 0 EFAERM O=C([O-])CCC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccsc1 ZINC000170620233 473568017 /nfs/dbraw/zinc/56/80/17/473568017.db2.gz MOOPDGRGLNXQGU-CQSZACIVSA-N -1 0 344.392 2.996 10 0 EFAERM CCC[C@H]1C[C@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000170645233 473573020 /nfs/dbraw/zinc/57/30/20/473573020.db2.gz IVWYDWVKNAZWGK-GXFFZTMASA-N -1 0 331.441 2.624 10 0 EFAERM O=C(C[C@@H]1CCOc2ccccc21)[N-]S(=O)(=O)Cc1ccccc1 ZINC000172313742 473577579 /nfs/dbraw/zinc/57/75/79/473577579.db2.gz HPHJPXVBJNQVPT-HNNXBMFYSA-N -1 0 345.420 2.589 10 0 EFAERM CCOC(=O)[C@@H](Cc1ccccc1)C(=O)[N-]OCc1ccccc1 ZINC000115680288 473593867 /nfs/dbraw/zinc/59/38/67/473593867.db2.gz POMOBMHRXDWJNO-KRWDZBQOSA-N -1 0 327.380 2.656 10 0 EFAERM C[NH+](C)[C@@H](CNC(=O)c1c([O-])cc(F)cc1F)Cc1ccccc1 ZINC000127332564 473600930 /nfs/dbraw/zinc/60/09/30/473600930.db2.gz QTBSYVHLEBTLMA-CQSZACIVSA-N -1 0 334.366 2.573 10 0 EFAERM C[C@H]1C[C@H]1NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000170807756 473618663 /nfs/dbraw/zinc/61/86/63/473618663.db2.gz HYRUGVMQGMIHNW-WCBMZHEXSA-N -1 0 325.290 2.735 10 0 EFAERM O=C(NC[C@]1(O)CCOC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000179088148 473626886 /nfs/dbraw/zinc/62/68/86/473626886.db2.gz MAIQQUJYTWMIFO-GOSISDBHSA-N -1 0 347.798 2.594 10 0 EFAERM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](C)C(C)C ZINC000172580003 473648251 /nfs/dbraw/zinc/64/82/51/473648251.db2.gz NRINWJMEPQQZNY-ZDUSSCGKSA-N -1 0 326.462 2.860 10 0 EFAERM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1c(F)cccc1F ZINC000127815069 473652859 /nfs/dbraw/zinc/65/28/59/473652859.db2.gz CBHYSUDCEAAOER-SMDDNHRTSA-N -1 0 333.400 2.574 10 0 EFAERM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1c(F)cccc1F ZINC000127815302 473653472 /nfs/dbraw/zinc/65/34/72/473653472.db2.gz CBHYSUDCEAAOER-BXUZGUMPSA-N -1 0 333.400 2.574 10 0 EFAERM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(Cl)c2)C12CCOCC2 ZINC000186467955 473678164 /nfs/dbraw/zinc/67/81/64/473678164.db2.gz HVQXGFFASNFTBE-HUUCEWRRSA-N -1 0 339.819 2.750 10 0 EFAERM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1nccs1 ZINC000179466953 473689142 /nfs/dbraw/zinc/68/91/42/473689142.db2.gz ASQLXACILWDFET-CYBMUJFWSA-N -1 0 328.397 2.737 10 0 EFAERM Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1nccs1 ZINC000179463654 473689348 /nfs/dbraw/zinc/68/93/48/473689348.db2.gz GMWHTGNXKWVOFM-LLVKDONJSA-N -1 0 334.788 2.774 10 0 EFAERM Cc1cc(NC(=O)c2c(=O)n(-c3ccccc3)[n-]c2C(C)C)no1 ZINC000179468028 473689457 /nfs/dbraw/zinc/68/94/57/473689457.db2.gz UQRNLJFWTQEPHH-CQSZACIVSA-N -1 0 326.356 2.597 10 0 EFAERM O=S(=O)(Cc1ccccc1F)[N-]c1cc(-c2ccncc2)[nH]n1 ZINC000186615719 473699637 /nfs/dbraw/zinc/69/96/37/473699637.db2.gz MYKWWOOJFMFKIT-UHFFFAOYSA-N -1 0 332.360 2.553 10 0 EFAERM Cc1cc(C)n(Cc2ccc(C(=O)N([C@H](C)C(=O)[O-])C3CC3)cc2)n1 ZINC000262663640 473707926 /nfs/dbraw/zinc/70/79/26/473707926.db2.gz VDQFMTKMQMHKJK-CQSZACIVSA-N -1 0 341.411 2.626 10 0 EFAERM CCCOc1ccc(C(=O)CCC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000262686127 473711591 /nfs/dbraw/zinc/71/15/91/473711591.db2.gz DNSFSJAMUFCBBQ-KRWDZBQOSA-N -1 0 335.400 2.664 10 0 EFAERM COc1ccc2c(c1)ncc(C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c2O ZINC000245512943 473713533 /nfs/dbraw/zinc/71/35/33/473713533.db2.gz BLHQPOFCIHADBN-ZSBIGDGJSA-N -1 0 330.384 2.635 10 0 EFAERM C[C@@H](C(=O)[O-])N(C)C(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000262721594 473716079 /nfs/dbraw/zinc/71/60/79/473716079.db2.gz AOHONNBEKMMNQH-INIZCTEOSA-N -1 0 340.423 2.620 10 0 EFAERM Cc1nc([C@H](C)NC(=O)Cc2cccc(F)c2F)sc1C(=O)[O-] ZINC000262756273 473720040 /nfs/dbraw/zinc/72/00/40/473720040.db2.gz JXCYNDWOIMTUDO-QMMMGPOBSA-N -1 0 340.351 2.848 10 0 EFAERM C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000262864130 473730550 /nfs/dbraw/zinc/73/05/50/473730550.db2.gz CCTZFAVVWYFIRM-DFBGVHRSSA-N -1 0 344.411 2.713 10 0 EFAERM COC[C@]1(C(=O)[O-])CCN(C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC000262859793 473731443 /nfs/dbraw/zinc/73/14/43/473731443.db2.gz FBTZMERPHJNPHL-SFHVURJKSA-N -1 0 349.402 2.587 10 0 EFAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000262900109 473735901 /nfs/dbraw/zinc/73/59/01/473735901.db2.gz CVNHLYWNFIOGKK-NXEZZACHSA-N -1 0 336.775 2.526 10 0 EFAERM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000262898038 473735908 /nfs/dbraw/zinc/73/59/08/473735908.db2.gz HTBWLADRWRGPEJ-VVLHAWIVSA-N -1 0 331.412 2.832 10 0 EFAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000262897432 473735917 /nfs/dbraw/zinc/73/59/17/473735917.db2.gz CSCFVJKPVIHXCU-BNICSPFPSA-N -1 0 331.412 2.661 10 0 EFAERM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1 ZINC000262895130 473736079 /nfs/dbraw/zinc/73/60/79/473736079.db2.gz CIFBNKYVAYZABV-QGZVFWFLSA-N -1 0 326.396 2.962 10 0 EFAERM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000262898037 473736225 /nfs/dbraw/zinc/73/62/25/473736225.db2.gz HTBWLADRWRGPEJ-HZMVEIRTSA-N -1 0 331.412 2.832 10 0 EFAERM O=C([O-])[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000262905918 473737006 /nfs/dbraw/zinc/73/70/06/473737006.db2.gz JCYRQODIFWRNJE-ZDUSSCGKSA-N -1 0 345.317 2.563 10 0 EFAERM CCOCCOc1ccccc1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000262905098 473737469 /nfs/dbraw/zinc/73/74/69/473737469.db2.gz BXXHJVYNVHKJGF-UHFFFAOYSA-N -1 0 347.367 2.632 10 0 EFAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000262916966 473738807 /nfs/dbraw/zinc/73/88/07/473738807.db2.gz DZUHAWQBEZSXCC-OCCSQVGLSA-N -1 0 345.351 2.776 10 0 EFAERM CCc1ccc(C(=O)CCC(=O)NCc2nc(C(=O)[O-])cs2)cc1 ZINC000192886545 473741802 /nfs/dbraw/zinc/74/18/02/473741802.db2.gz HRMFWGBHNBQDMP-UHFFFAOYSA-N -1 0 346.408 2.683 10 0 EFAERM C[C@H](CN(C)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)C(=O)[O-] ZINC000263219712 473744784 /nfs/dbraw/zinc/74/47/84/473744784.db2.gz KHEYMAXYEYLCHE-DOMZBBRYSA-N -1 0 348.447 2.738 10 0 EFAERM CN(C)c1cccc(CCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000263432915 473754471 /nfs/dbraw/zinc/75/44/71/473754471.db2.gz NXDJXLPGBXHLMY-NXHRZFHOSA-N -1 0 344.455 2.930 10 0 EFAERM O=C(c1cc(F)c([O-])c(F)c1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000186784141 473755458 /nfs/dbraw/zinc/75/54/58/473755458.db2.gz WVACWQSWNXLEAV-VXGBXAGGSA-N -1 0 343.395 2.797 10 0 EFAERM C[C@]1(C(=O)[O-])CCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000263465524 473756900 /nfs/dbraw/zinc/75/69/00/473756900.db2.gz QVZMSXFRXFGXKT-GOSISDBHSA-N -1 0 346.358 2.879 10 0 EFAERM Cc1ccc(-c2nc(CC(=O)N3CCC[C@@]3(C)C(=O)[O-])cs2)o1 ZINC000263464871 473757369 /nfs/dbraw/zinc/75/73/69/473757369.db2.gz QTHIJGKYCHFQIM-INIZCTEOSA-N -1 0 334.397 2.720 10 0 EFAERM C[C@@H](NC(=O)c1c[nH]c2cccc(Br)c21)[C@H](C)C(=O)[O-] ZINC000263453859 473757541 /nfs/dbraw/zinc/75/75/41/473757541.db2.gz ORMKIYXEHQNEPX-JGVFFNPUSA-N -1 0 339.189 2.769 10 0 EFAERM COc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)coc2CC(=O)[O-])c1 ZINC000263473363 473758030 /nfs/dbraw/zinc/75/80/30/473758030.db2.gz YNUMELFKVMCUPJ-LLVKDONJSA-N -1 0 347.367 2.723 10 0 EFAERM CCOc1ccccc1C(F)(F)C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263468486 473758332 /nfs/dbraw/zinc/75/83/32/473758332.db2.gz RKQDQKKOLYLVNY-OAHLLOKOSA-N -1 0 327.327 2.643 10 0 EFAERM CCO[C@H]1C[C@](NC(=O)/C=C/c2ccc(F)cc2)(C(=O)[O-])C1(C)C ZINC000193030172 473763160 /nfs/dbraw/zinc/76/31/60/473763160.db2.gz NQMHKRIANNXPQK-PMLUTSACSA-N -1 0 335.375 2.614 10 0 EFAERM CCCC[C@H](NS(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000263513559 473763645 /nfs/dbraw/zinc/76/36/45/473763645.db2.gz YTTWXDADJDRMPD-ILDUYXDCSA-N -1 0 345.383 2.670 10 0 EFAERM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@H](C)C(C)(C)C2)c1 ZINC000274218615 473764422 /nfs/dbraw/zinc/76/44/22/473764422.db2.gz OJJXSTSESDZFGC-ZDUSSCGKSA-N -1 0 338.473 2.875 10 0 EFAERM C[C@H](CCC(=O)[O-])NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000263514578 473764902 /nfs/dbraw/zinc/76/49/02/473764902.db2.gz DIYXRLPFLDIIJU-SNVBAGLBSA-N -1 0 333.306 2.540 10 0 EFAERM C[C@H](Oc1cccc2ccccc21)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000263528315 473767800 /nfs/dbraw/zinc/76/78/00/473767800.db2.gz LEDPTZRRODOYCB-KPZWWZAWSA-N -1 0 345.420 2.684 10 0 EFAERM COc1ccc(F)cc1CC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000263529525 473768660 /nfs/dbraw/zinc/76/86/60/473768660.db2.gz LUGFFQHZODIEBB-LSDHHAIUSA-N -1 0 337.391 2.917 10 0 EFAERM Cn1cc([C@@H](NC(=O)c2cccc(O)c2)c2ccc(F)cc2)cn1 ZINC000186855303 473769225 /nfs/dbraw/zinc/76/92/25/473769225.db2.gz SGOXLBFWADWIQP-KRWDZBQOSA-N -1 0 325.343 2.784 10 0 EFAERM Cn1cc([C@H](NC(=O)c2cccc(O)c2)c2ccc(F)cc2)cn1 ZINC000186855281 473769478 /nfs/dbraw/zinc/76/94/78/473769478.db2.gz SGOXLBFWADWIQP-QGZVFWFLSA-N -1 0 325.343 2.784 10 0 EFAERM CCO[C@@H]1C[C@@](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)(C(=O)[O-])C1(C)C ZINC000263543121 473772261 /nfs/dbraw/zinc/77/22/61/473772261.db2.gz RVPBROKXNHGOMP-ZFCANOHDSA-N -1 0 345.439 2.955 10 0 EFAERM CC(C)(C)OCC[C@@H](NC(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000263551774 473774160 /nfs/dbraw/zinc/77/41/60/473774160.db2.gz WTJKPQHEQZNNAX-GFCCVEGCSA-N -1 0 331.771 2.867 10 0 EFAERM C[C@H](C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])c1c(F)cccc1F ZINC000263551372 473774179 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EFAERM CC(C)Oc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cn1 ZINC000263054235 519778876 /nfs/dbraw/zinc/77/88/76/519778876.db2.gz ASQPNHKYZZKKSV-GOSISDBHSA-N -1 0 346.358 2.738 10 0 EFAERM CC(C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C(=O)[O-] ZINC000155940214 519819582 /nfs/dbraw/zinc/81/95/82/519819582.db2.gz XDXWOJIKDOVYKK-UPJWGTAASA-N -1 0 340.217 2.778 10 0 EFAERM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CCc2nc3ccccc3o2)C1 ZINC000263007841 519829792 /nfs/dbraw/zinc/82/97/92/519829792.db2.gz WWLZEHUBJUJALQ-SFHVURJKSA-N -1 0 330.384 2.720 10 0 EFAERM CC(C)c1csc(CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)n1 ZINC000263208230 519854069 /nfs/dbraw/zinc/85/40/69/519854069.db2.gz IKUCUTRPPVOIQM-MEDUHNTESA-N -1 0 337.445 2.663 10 0 EFAERM CCOCCS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000035359101 520058713 /nfs/dbraw/zinc/05/87/13/520058713.db2.gz WUKWZPSPJRYGKE-UHFFFAOYSA-N -1 0 327.185 2.502 10 0 EFAERM CCCNc1ccc(CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000263323998 520159126 /nfs/dbraw/zinc/15/91/26/520159126.db2.gz AXNSGJKUASGOQH-HNAYVOBHSA-N -1 0 345.443 2.905 10 0 EFAERM CCCOc1ccc(C(=O)CCC(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000263286760 520331888 /nfs/dbraw/zinc/33/18/88/520331888.db2.gz PUQOHGVIYGWJRS-CYBMUJFWSA-N -1 0 347.411 2.902 10 0 EFAERM CCCOc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])cc1OC ZINC000262131325 520426919 /nfs/dbraw/zinc/42/69/19/520426919.db2.gz OAWACKNSNDWHLQ-UBHSHLNASA-N -1 0 335.400 2.772 10 0 EFAERM CCO[C@H](C)c1nc(CN(C)C(=O)CCCCC(=O)[O-])cs1 ZINC000263346732 520472641 /nfs/dbraw/zinc/47/26/41/520472641.db2.gz ZFWQIBZPTDCZOQ-LLVKDONJSA-N -1 0 328.434 2.844 10 0 EFAERM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCCO1)c1ccc(Cl)c(F)c1 ZINC000181879920 534502854 /nfs/dbraw/zinc/50/28/54/534502854.db2.gz NQVUIZRDXYJRMU-OLZOCXBDSA-N -1 0 329.755 2.680 10 0 EFAERM CCOc1cc(C)ccc1CNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263182962 520674884 /nfs/dbraw/zinc/67/48/84/520674884.db2.gz FMVJLCUYRWRUQO-HNAYVOBHSA-N -1 0 346.427 2.790 10 0 EFAERM CC1CCN(c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)cn2)CC1 ZINC000263102474 521039144 /nfs/dbraw/zinc/03/91/44/521039144.db2.gz BBERKFUPBKVPPD-HOCLYGCPSA-N -1 0 345.443 2.643 10 0 EFAERM CCCc1ncc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)s1 ZINC000263060418 521550853 /nfs/dbraw/zinc/55/08/53/521550853.db2.gz BEJJSVYLVUCPQW-MRXNPFEDSA-N -1 0 336.388 2.965 10 0 EFAERM CCOc1ccccc1[C@@H](CC)NC(=O)CN([C@@H](C)C(=O)[O-])C1CC1 ZINC000263209656 521574871 /nfs/dbraw/zinc/57/48/71/521574871.db2.gz YURWUQCVCRJOSP-XJKSGUPXSA-N -1 0 348.443 2.590 10 0 EFAERM CCCc1sc(C(=O)N2C[C@H](OC)C[C@H]2CC(=O)[O-])cc1CC ZINC000263090854 521612348 /nfs/dbraw/zinc/61/23/48/521612348.db2.gz QKSWGCKWBLBAJW-QWHCGFSZSA-N -1 0 339.457 2.967 10 0 EFAERM CCCN(Cc1c([O-])nnn1-c1ccccc1)C[C@H]1CCCCO1 ZINC000106856204 521680031 /nfs/dbraw/zinc/68/00/31/521680031.db2.gz RXZNNNURBLYJHW-MRXNPFEDSA-N -1 0 330.432 2.754 10 0 EFAERM CC(C)(C)CC[C@@H](NC(=O)C(=O)Nc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC000422684889 534597890 /nfs/dbraw/zinc/59/78/90/534597890.db2.gz QFEUGPGPJSMFDZ-CYBMUJFWSA-N -1 0 345.399 2.502 10 0 EFAERM CCc1ccsc1C(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000263218884 521988566 /nfs/dbraw/zinc/98/85/66/521988566.db2.gz QFMADGCETIARLS-UHFFFAOYSA-N -1 0 347.440 2.991 10 0 EFAERM CCc1cnc(CCNC(=O)c2nn(-c3ccccc3)cc2[O-])s1 ZINC000075181727 522010521 /nfs/dbraw/zinc/01/05/21/522010521.db2.gz OGDPBWPFUDBCNF-UHFFFAOYSA-N -1 0 342.424 2.569 10 0 EFAERM COc1cc(C(=O)NC2(CC(=O)[O-])CCCC2)ccc1OC(C)C ZINC000263022190 522100935 /nfs/dbraw/zinc/10/09/35/522100935.db2.gz YECWWNUCQJWZAM-UHFFFAOYSA-N -1 0 335.400 3.000 10 0 EFAERM CC[C@H](CNC(=O)N(C)CCC(=O)[O-])Oc1ccccc1Cl ZINC000263238736 522177697 /nfs/dbraw/zinc/17/76/97/522177697.db2.gz NLHFCAMCESYRDG-LLVKDONJSA-N -1 0 328.796 2.614 10 0 EFAERM COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000263168154 522230029 /nfs/dbraw/zinc/23/00/29/522230029.db2.gz FPPGRUPRWBOIAM-XQQFMLRXSA-N -1 0 335.400 2.690 10 0 EFAERM 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0 EFAERM O=C([O-])[C@]1(F)CN(C(=O)c2ccc3c(c2)CCCC3)CC12CCC2 ZINC000851610055 1251132539 /nfs/dbraw/zinc/13/25/39/1251132539.db2.gz RKFQEXGPKSECDX-LJQANCHMSA-N -1 0 331.387 2.984 10 0 EFAERM C[C@@H](Cc1cccc(F)c1)C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000851611028 1251133304 /nfs/dbraw/zinc/13/33/04/1251133304.db2.gz GUVHTBGRPUNBFQ-KPZWWZAWSA-N -1 0 337.366 2.810 10 0 EFAERM O=C([O-])[C@@]1(F)CN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC12CCC2 ZINC000851611952 1251134058 /nfs/dbraw/zinc/13/40/58/1251134058.db2.gz VDGLWCJQHYNOAS-SFHVURJKSA-N -1 0 348.349 2.655 10 0 EFAERM C[C@H](Cc1ccc(F)cc1)C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000851611040 1251134197 /nfs/dbraw/zinc/13/41/97/1251134197.db2.gz HEFNEUDZDGHKIB-XIKOKIGWSA-N -1 0 337.366 2.810 10 0 EFAERM COc1ccccc1/C(C)=C\C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000851610959 1251134208 /nfs/dbraw/zinc/13/42/08/1251134208.db2.gz GCIYPTZNAPYCII-QTJNJRLBSA-N -1 0 347.386 2.904 10 0 EFAERM C[C@@H](Cc1ccccc1F)C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000851612721 1251134892 /nfs/dbraw/zinc/13/48/92/1251134892.db2.gz WGIMQLZAQXHFHV-KPZWWZAWSA-N -1 0 337.366 2.810 10 0 EFAERM O=C([O-])[C@@]1(F)CN(C(=O)c2cc(-c3cccs3)n[nH]2)CC12CCC2 ZINC000851612635 1251135039 /nfs/dbraw/zinc/13/50/39/1251135039.db2.gz CTUXLALTQUDOKR-INIZCTEOSA-N -1 0 349.387 2.557 10 0 EFAERM COc1ccc2cc(C(=O)N3CC4(CCC4)[C@@](F)(C(=O)[O-])C3)[nH]c2c1 ZINC000851612158 1251135263 /nfs/dbraw/zinc/13/52/63/1251135263.db2.gz WWYKHSLKZMCDLM-SFHVURJKSA-N -1 0 346.358 2.596 10 0 EFAERM CCOc1c(F)cccc1C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000851612705 1251135307 /nfs/dbraw/zinc/13/53/07/1251135307.db2.gz WAUXTXDUCYBZCA-KRWDZBQOSA-N -1 0 339.338 2.643 10 0 EFAERM C[C@]1(C(=O)N2CC3(CCC3)[C@](F)(C(=O)[O-])C2)CCc2ccccc21 ZINC000851613541 1251136247 /nfs/dbraw/zinc/13/62/47/1251136247.db2.gz DOZOWXLNFVPZRF-PKOBYXMFSA-N -1 0 331.387 2.696 10 0 EFAERM O=C([O-])[C@@]1(F)CN(C(=O)c2sccc2-n2cccc2)CC12CCC2 ZINC000851613353 1251136337 /nfs/dbraw/zinc/13/63/37/1251136337.db2.gz MDSAYHFPHTXSMR-KRWDZBQOSA-N -1 0 348.399 2.958 10 0 EFAERM O=C([O-])[C@]1(F)CN(C(=O)c2cccnc2C(F)(F)F)CC12CCC2 ZINC000851613164 1251136605 /nfs/dbraw/zinc/13/66/05/1251136605.db2.gz JNLDXWGTTPSDAE-CQSZACIVSA-N -1 0 346.280 2.519 10 0 EFAERM CC1(C)Cc2cccc(C(=O)N3CC4(CCC4)[C@@](F)(C(=O)[O-])C3)c2O1 ZINC000851613769 1251137014 /nfs/dbraw/zinc/13/70/14/1251137014.db2.gz HCYIFUKYEIFEKR-IBGZPJMESA-N -1 0 347.386 2.819 10 0 EFAERM C[C@H](C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1)c1c(F)cccc1F ZINC000851614002 1251137487 /nfs/dbraw/zinc/13/74/87/1251137487.db2.gz JUPIGNMPLKQWQO-DYZYQPBXSA-N -1 0 341.329 2.874 10 0 EFAERM Cc1[nH]c2ccccc2c1C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000851613628 1251137736 /nfs/dbraw/zinc/13/77/36/1251137736.db2.gz PMZZFIWZARFPJZ-SFHVURJKSA-N -1 0 330.359 2.895 10 0 EFAERM C[C@@H](C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1)c1c(F)cccc1F ZINC000851613999 1251137763 /nfs/dbraw/zinc/13/77/63/1251137763.db2.gz JUPIGNMPLKQWQO-BMLIUANNSA-N -1 0 341.329 2.874 10 0 EFAERM O=C([O-])[C@@]1(F)CN(C(=O)c2cnc3ccsc3c2)CC12CCC2 ZINC000851613621 1251137771 /nfs/dbraw/zinc/13/77/71/1251137771.db2.gz PIUYPROKJKOTDK-INIZCTEOSA-N -1 0 334.372 2.715 10 0 EFAERM O=C([O-])[C@@]1(F)CN(C(=O)c2cnccc2C(F)(F)F)CC12CCC2 ZINC000851614920 1251138387 /nfs/dbraw/zinc/13/83/87/1251138387.db2.gz WHKGPKXWCXILCE-AWEZNQCLSA-N -1 0 346.280 2.519 10 0 EFAERM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000851615148 1251138480 /nfs/dbraw/zinc/13/84/80/1251138480.db2.gz BKGUJMMXDDVLOI-DXHMRMSISA-N -1 0 329.396 2.953 10 0 EFAERM O=C([O-])[C@]1(F)CN(C(=O)c2cnccc2C(F)(F)F)CC12CCC2 ZINC000851614921 1251138669 /nfs/dbraw/zinc/13/86/69/1251138669.db2.gz WHKGPKXWCXILCE-CQSZACIVSA-N -1 0 346.280 2.519 10 0 EFAERM O=C([O-])[C@]1(F)CN(C(=O)Cc2ccc(F)cc2Cl)CC12CCC2 ZINC000851614958 1251138941 /nfs/dbraw/zinc/13/89/41/1251138941.db2.gz WSPMZJVOOMDMHS-MRXNPFEDSA-N -1 0 343.757 2.827 10 0 EFAERM Cc1noc(C)c1[C@@H](C)CC(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000851614829 1251139371 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2.873 10 0 EFAERM COC[C@]1(C(=O)[O-])CCCN1C(=O)/C(C)=C/c1ccccc1Cl ZINC000851616853 1251140609 /nfs/dbraw/zinc/14/06/09/1251140609.db2.gz XAMWYSALPGKRPD-JICACKBISA-N -1 0 337.803 2.836 10 0 EFAERM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC000851616639 1251140758 /nfs/dbraw/zinc/14/07/58/1251140758.db2.gz QTQOMMUHJCRHDY-IBGZPJMESA-N -1 0 344.411 2.997 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)/C(C)=C/c2ccccn2)n1 ZINC000851616586 1251140766 /nfs/dbraw/zinc/14/07/66/1251140766.db2.gz HUBAARHSCHIKGV-GCZGRYASSA-N -1 0 328.372 2.746 10 0 EFAERM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cnn(C(C)C)c2C)n1 ZINC000851617462 1251140893 /nfs/dbraw/zinc/14/08/93/1251140893.db2.gz ZXGOOBQFADTNMU-CYBMUJFWSA-N -1 0 333.392 2.647 10 0 EFAERM Cc1oc(-c2cccs2)nc1C(=O)N[C@](C)(CCF)C(=O)[O-] ZINC000851620573 1251141817 /nfs/dbraw/zinc/14/18/17/1251141817.db2.gz HEPFFZKNFMNCMI-CQSZACIVSA-N -1 0 326.349 2.644 10 0 EFAERM CN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000851625400 1251145892 /nfs/dbraw/zinc/14/58/92/1251145892.db2.gz XGNUDTRJAIFRII-XBXGTLAGSA-N -1 0 330.359 2.766 10 0 EFAERM COc1cc2cc(C(=O)N[C@H]3CCC[C@]3(C)C(=O)[O-])[nH]c2cc1OC ZINC000851625646 1251146251 /nfs/dbraw/zinc/14/62/51/1251146251.db2.gz SENJJJIHONHCMR-YJBOKZPZSA-N -1 0 346.383 2.558 10 0 EFAERM CC(C)c1noc2ncc(C(=O)N[C@H]3CCC[C@@]3(C)C(=O)[O-])cc21 ZINC000851625151 1251148273 /nfs/dbraw/zinc/14/82/73/1251148273.db2.gz LPUQWYHJKFKNDL-YVEFUNNKSA-N -1 0 331.372 2.719 10 0 EFAERM C[C@H](NC(=O)N[C@@H]1C[C@@H](O)c2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000851651113 1251173817 /nfs/dbraw/zinc/17/38/17/1251173817.db2.gz JIPLQADRXGZDPM-BVEJOUGXSA-N -1 0 346.427 2.599 10 0 EFAERM C[C@@]1(CCNC(=O)N2CCC(CCC(=O)[O-])CC2)C[C@@]1(F)Cl ZINC000851651074 1251174144 /nfs/dbraw/zinc/17/41/44/1251174144.db2.gz ISCUIVGXDGQHMS-CABCVRRESA-N -1 0 334.819 2.978 10 0 EFAERM Cc1ccc(N2CCCN(C(=O)C3CCC(C(=O)[O-])CC3)CC2)cc1 ZINC000851692714 1251209782 /nfs/dbraw/zinc/20/97/82/1251209782.db2.gz 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ZINC000910887984 727470340 /nfs/dbraw/zinc/47/03/40/727470340.db2.gz JATOEAYXEPCPCI-CYBMUJFWSA-N -1 0 325.405 2.570 10 0 EFAERM CSC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000910889760 727470363 /nfs/dbraw/zinc/47/03/63/727470363.db2.gz XXABSSYCRDYXHK-LDYMZIIASA-N -1 0 333.862 2.753 10 0 EFAERM CSC[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000910889951 727470369 /nfs/dbraw/zinc/47/03/69/727470369.db2.gz UPLDZOIWOVYEEP-LLVKDONJSA-N -1 0 349.433 2.854 10 0 EFAERM C[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000910902606 727470510 /nfs/dbraw/zinc/47/05/10/727470510.db2.gz GLRFPZQDWGGAMJ-CXAGYDPISA-N -1 0 329.371 2.816 10 0 EFAERM CC[C@@H](C)C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(C)o1)C(=O)[O-] ZINC000910909036 727471305 /nfs/dbraw/zinc/47/13/05/727471305.db2.gz NVJNEXDMFGHVKR-ZWNOBZJWSA-N -1 0 333.388 2.608 10 0 EFAERM CC[C@@H](C)C[C@H](NC(=O)c1cn(C)nc1-c1ccc(C)o1)C(=O)[O-] ZINC000910909034 727471310 /nfs/dbraw/zinc/47/13/10/727471310.db2.gz NVJNEXDMFGHVKR-MFKMUULPSA-N -1 0 333.388 2.608 10 0 EFAERM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)C[C@@H]1OCc2ccccc21 ZINC000910924609 727472406 /nfs/dbraw/zinc/47/24/06/727472406.db2.gz CZAZXFUVXKIQIN-IRXDYDNUSA-N -1 0 343.354 2.599 10 0 EFAERM CCN(C(=O)c1cn2c(n1)C[C@H](C)CC2)c1cccc(C(=O)[O-])c1 ZINC000910967520 727474329 /nfs/dbraw/zinc/47/43/29/727474329.db2.gz NVMKFZXRUKNOKK-GFCCVEGCSA-N -1 0 327.384 2.830 10 0 EFAERM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000910967365 727474957 /nfs/dbraw/zinc/47/49/57/727474957.db2.gz ZUCKCOICFLPJLV-LLVKDONJSA-N -1 0 327.384 2.978 10 0 EFAERM CSc1ccc(NC(=O)[C@@H]2CCc3nccn3C2)cc1C(=O)[O-] ZINC000910945526 727475176 /nfs/dbraw/zinc/47/51/76/727475176.db2.gz CASQLYARARCMLA-SNVBAGLBSA-N -1 0 331.397 2.504 10 0 EFAERM CSc1ccc(NC(=O)CCn2nc(C)cc2C)cc1C(=O)[O-] ZINC000910947579 727475458 /nfs/dbraw/zinc/47/54/58/727475458.db2.gz HTNKJNIHJNKMED-UHFFFAOYSA-N -1 0 333.413 2.949 10 0 EFAERM CSc1ccc(NC(=O)[C@H]2CCc3c[nH]nc3C2)cc1C(=O)[O-] ZINC000910947859 727475462 /nfs/dbraw/zinc/47/54/62/727475462.db2.gz POSNISPUHFSQJS-VIFPVBQESA-N -1 0 331.397 2.573 10 0 EFAERM COCCCn1cc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cn1 ZINC000910946199 727475614 /nfs/dbraw/zinc/47/56/14/727475614.db2.gz KOCPOGWWENSKDW-UHFFFAOYSA-N -1 0 349.412 2.592 10 0 EFAERM C[C@H](Sc1ccccc1C(=O)NC[C@@]1(C)CCCCO1)C(=O)[O-] ZINC000910997553 727475782 /nfs/dbraw/zinc/47/57/82/727475782.db2.gz KUJCERUISAGPHK-YVEFUNNKSA-N -1 0 337.441 2.941 10 0 EFAERM CC1(C)Cc2ccc(C(=O)NCCc3ncc(C(=O)[O-])s3)cc2O1 ZINC000910996048 727475903 /nfs/dbraw/zinc/47/59/03/727475903.db2.gz GMUMLLWDZBLDCU-UHFFFAOYSA-N -1 0 346.408 2.527 10 0 EFAERM CCN(C(=O)[C@@H]1C[C@@]1(C)Br)c1cccc(C(=O)[O-])c1 ZINC000910968017 727476119 /nfs/dbraw/zinc/47/61/19/727476119.db2.gz MDADPHUMYNAKLF-SMDDNHRTSA-N -1 0 326.190 2.911 10 0 EFAERM CCN(C(=O)[C@@H](C)Oc1cccc(CO)c1)c1cccc(C(=O)[O-])c1 ZINC000910968411 727476490 /nfs/dbraw/zinc/47/64/90/727476490.db2.gz OUWWQLCRCPTJJN-CYBMUJFWSA-N -1 0 343.379 2.698 10 0 EFAERM CC(C)(CC(=O)NCc1ccc(C(=O)[O-])nc1)c1ccc(F)cc1 ZINC000910978812 727477902 /nfs/dbraw/zinc/47/79/02/727477902.db2.gz FNKCOYGBTDVXGY-UHFFFAOYSA-N -1 0 330.359 2.903 10 0 EFAERM C[C@@H](CCOc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC000910980800 727478192 /nfs/dbraw/zinc/47/81/92/727478192.db2.gz DWMLZLCQLCKABU-ZDUSSCGKSA-N -1 0 328.368 2.501 10 0 EFAERM Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(C(=O)[O-])nc2)c1 ZINC000910980441 727478253 /nfs/dbraw/zinc/47/82/53/727478253.db2.gz DLWVEFADEYBBEX-UHFFFAOYSA-N -1 0 339.395 2.618 10 0 EFAERM Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC000910984716 727479378 /nfs/dbraw/zinc/47/93/78/727479378.db2.gz SUFYAVIADLEYQB-UHFFFAOYSA-N -1 0 333.413 2.772 10 0 EFAERM O=C([O-])c1ccc(CC(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000910988349 727480404 /nfs/dbraw/zinc/48/04/04/727480404.db2.gz ZZPIUGHYDKTJLS-STQMWFEESA-N -1 0 345.317 2.544 10 0 EFAERM O=C([O-])[C@H](NC(=O)Cc1ccc(SC2CC2)cc1)c1cccnc1 ZINC000910988355 727480445 /nfs/dbraw/zinc/48/04/45/727480445.db2.gz DJYNLJUJWJQDMU-QGZVFWFLSA-N -1 0 342.420 2.821 10 0 EFAERM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)c(F)c1 ZINC000910990634 727480779 /nfs/dbraw/zinc/48/07/79/727480779.db2.gz FHYDGFPWPIARDU-JOYOIKCWSA-N -1 0 349.280 2.754 10 0 EFAERM O=C([O-])c1coc(/C=C\C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000910992893 727481200 /nfs/dbraw/zinc/48/12/00/727481200.db2.gz MKYAKZWRAAXZOZ-KBIXYVOKSA-N -1 0 347.289 2.607 10 0 EFAERM O=C([O-])/C=C\c1ccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)o1 ZINC000910995117 727481759 /nfs/dbraw/zinc/48/17/59/727481759.db2.gz YSBHAWZVCQEMHY-KWZYSKORSA-N -1 0 347.289 2.607 10 0 EFAERM COc1cc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)ccc1F ZINC000911017980 727481961 /nfs/dbraw/zinc/48/19/61/727481961.db2.gz NINUIXCXOMYEQT-UHFFFAOYSA-N -1 0 349.280 2.704 10 0 EFAERM CC(C)(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)c1ccccn1 ZINC000911019867 727482174 /nfs/dbraw/zinc/48/21/74/727482174.db2.gz NGIDUPRIBMSIDE-UHFFFAOYSA-N -1 0 344.333 2.615 10 0 EFAERM CC(=O)c1csc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)c1 ZINC000911020535 727482241 /nfs/dbraw/zinc/48/22/41/727482241.db2.gz YHUJGLQFKFWITL-UHFFFAOYSA-N -1 0 349.330 2.820 10 0 EFAERM Cc1nc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)sc1C ZINC000911021074 727482245 /nfs/dbraw/zinc/48/22/45/727482245.db2.gz YYNBOMUNIPLARA-UHFFFAOYSA-N -1 0 336.335 2.629 10 0 EFAERM Cc1ccc(/C=C\C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)cn1 ZINC000911019779 727482257 /nfs/dbraw/zinc/48/22/57/727482257.db2.gz KBDPYQDCBVGMRX-PLNGDYQASA-N -1 0 342.317 2.659 10 0 EFAERM Cc1ncc(/C=C/C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)s1 ZINC000911020248 727482280 /nfs/dbraw/zinc/48/22/80/727482280.db2.gz WIFKDNVTQKZRBP-NSCUHMNNSA-N -1 0 348.346 2.720 10 0 EFAERM CSCC1(CC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CC1 ZINC000911021624 727482446 /nfs/dbraw/zinc/48/24/46/727482446.db2.gz XVXASBXVTAXEIT-UHFFFAOYSA-N -1 0 339.379 2.775 10 0 EFAERM CC(C)(C)n1ccc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)n1 ZINC000911021227 727482521 /nfs/dbraw/zinc/48/25/21/727482521.db2.gz JJAMNTLSPXTBJY-UHFFFAOYSA-N -1 0 347.337 2.507 10 0 EFAERM CCCc1nc(C)c(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)o1 ZINC000911022492 727482535 /nfs/dbraw/zinc/48/25/35/727482535.db2.gz QCAGZCIUNBKTGI-UHFFFAOYSA-N -1 0 348.321 2.805 10 0 EFAERM C/C(=C\c1ccco1)C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911021584 727482538 /nfs/dbraw/zinc/48/25/38/727482538.db2.gz WKPAGQWBKASEGU-MDZDMXLPSA-N -1 0 331.290 2.939 10 0 EFAERM C/C(=C/C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)c1ccco1 ZINC000911021526 727482546 /nfs/dbraw/zinc/48/25/46/727482546.db2.gz UBZUYZFKXXNSQP-KTKRTIGZSA-N -1 0 331.290 2.939 10 0 EFAERM O=C([O-])C1(C(F)(F)F)CCN(C(=O)C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000911024627 727482751 /nfs/dbraw/zinc/48/27/51/727482751.db2.gz YKYZFWYFXISZRI-NSHDSACASA-N -1 0 349.349 2.734 10 0 EFAERM Cc1ncsc1/C=C/C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911023773 727482804 /nfs/dbraw/zinc/48/28/04/727482804.db2.gz SFLIVPVYWLXPBW-NSCUHMNNSA-N -1 0 348.346 2.720 10 0 EFAERM Cc1cncc(CCC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)c1 ZINC000911023120 727482815 /nfs/dbraw/zinc/48/28/15/727482815.db2.gz WITHINROAFIQPI-UHFFFAOYSA-N -1 0 344.333 2.578 10 0 EFAERM C[C@H](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)C(F)(F)F ZINC000911025830 727483131 /nfs/dbraw/zinc/48/31/31/727483131.db2.gz SKHOSABLQRXEHA-SSDOTTSWSA-N -1 0 335.244 2.831 10 0 EFAERM CCOCCC1(C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)CCC1 ZINC000911025185 727483145 /nfs/dbraw/zinc/48/31/45/727483145.db2.gz QSZHNKDPTVDHFD-UHFFFAOYSA-N -1 0 347.411 2.703 10 0 EFAERM O=C([O-])c1cnc(CCNC(=O)c2ccc(OC3CCC3)cc2)s1 ZINC000910999854 727483378 /nfs/dbraw/zinc/48/33/78/727483378.db2.gz IPHLOVGWGZILNM-UHFFFAOYSA-N -1 0 346.408 2.745 10 0 EFAERM CCCN(C)c1ccc(C(=O)NCCc2ncc(C(=O)[O-])s2)cc1 ZINC000911001138 727483673 /nfs/dbraw/zinc/48/36/73/727483673.db2.gz SSBZDVKUIYOQKK-UHFFFAOYSA-N -1 0 347.440 2.660 10 0 EFAERM COc1cccc([C@H](C)CC(=O)NCCc2ncc(C(=O)[O-])s2)c1 ZINC000911005547 727484386 /nfs/dbraw/zinc/48/43/86/727484386.db2.gz MFEGWHNQQDISDV-LLVKDONJSA-N -1 0 348.424 2.702 10 0 EFAERM CC[C@H](OC1CCCCC1)C(=O)NCCc1ncc(C(=O)[O-])s1 ZINC000911005510 727484492 /nfs/dbraw/zinc/48/44/92/727484492.db2.gz KQZUGLDIIGBHDB-LBPRGKRZSA-N -1 0 340.445 2.628 10 0 EFAERM O=C([O-])c1cnc(CCNC(=O)[C@@H]2SCCc3ccccc32)s1 ZINC000911006545 727484680 /nfs/dbraw/zinc/48/46/80/727484680.db2.gz XCYXPMLPUUXJCJ-CQSZACIVSA-N -1 0 348.449 2.531 10 0 EFAERM O=C([O-])CCCCC(=O)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000911009570 727485179 /nfs/dbraw/zinc/48/51/79/727485179.db2.gz ZLANEYPNAHSOLO-UHFFFAOYSA-N -1 0 336.457 2.983 10 0 EFAERM CCS[C@@H](C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(C)C ZINC000911033073 727487573 /nfs/dbraw/zinc/48/75/73/727487573.db2.gz FTCFIDMRMKRASF-ZYHUDNBSSA-N -1 0 342.486 2.935 10 0 EFAERM O=C([O-])c1cnc([C@H]2CCN(C(=O)c3csc(C4CC4)n3)C2)s1 ZINC000911034570 727487852 /nfs/dbraw/zinc/48/78/52/727487852.db2.gz PSUBPTJFLIJYJT-VIFPVBQESA-N -1 0 349.437 2.805 10 0 EFAERM CSc1ccc(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)o1 ZINC000911033753 727487853 /nfs/dbraw/zinc/48/78/53/727487853.db2.gz LDPIHKQVVSVYSM-QMMMGPOBSA-N -1 0 338.410 2.786 10 0 EFAERM Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911034967 727487857 /nfs/dbraw/zinc/48/78/57/727487857.db2.gz RTJYZMPWKQQGAG-KWQFWETISA-N -1 0 349.412 2.566 10 0 EFAERM COc1csc(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC000911034662 727487916 /nfs/dbraw/zinc/48/79/16/727487916.db2.gz OWZJSSLEGHJFGZ-QMMMGPOBSA-N -1 0 338.410 2.541 10 0 EFAERM CCOc1ccc(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC000911036531 727488243 /nfs/dbraw/zinc/48/82/43/727488243.db2.gz GCEZUQBEQCLRAF-GFCCVEGCSA-N -1 0 346.408 2.870 10 0 EFAERM O=C([O-])c1cnc([C@H]2CCN(C(=O)C3(C(F)(F)F)CCC3)C2)s1 ZINC000911038296 727488715 /nfs/dbraw/zinc/48/87/15/727488715.db2.gz YTOOUUGIUULZPD-QMMMGPOBSA-N -1 0 348.346 2.890 10 0 EFAERM Cc1nc(C)c(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)s1 ZINC000911038451 727488767 /nfs/dbraw/zinc/48/87/67/727488767.db2.gz MCRXSOQQVNMOOF-SECBINFHSA-N -1 0 337.426 2.544 10 0 EFAERM CCc1ccccc1CC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911045398 727489785 /nfs/dbraw/zinc/48/97/85/727489785.db2.gz DAELJZAVBFDBQK-AWEZNQCLSA-N -1 0 344.436 2.962 10 0 EFAERM Cc1nn(C(C)C)cc1C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911044947 727489810 /nfs/dbraw/zinc/48/98/10/727489810.db2.gz BITFQWTUFRITNM-NSHDSACASA-N -1 0 348.428 2.557 10 0 EFAERM COc1ccc([C@@H](NC(=O)CCSCC(=O)[O-])C2CCC2)cc1 ZINC000911063002 727493019 /nfs/dbraw/zinc/49/30/19/727493019.db2.gz RDTHYCRQHKKIKY-KRWDZBQOSA-N -1 0 337.441 2.861 10 0 EFAERM CC1(C)CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)O1 ZINC000911064607 727493610 /nfs/dbraw/zinc/49/36/10/727493610.db2.gz ZTIJCTPJVUNBBL-NEPJUHHUSA-N -1 0 345.317 2.905 10 0 EFAERM CCS[C@H](C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)C(C)C ZINC000911074009 727494891 /nfs/dbraw/zinc/49/48/91/727494891.db2.gz AJCVJSYMHFJELR-HNNXBMFYSA-N -1 0 335.429 2.837 10 0 EFAERM CC[C@H]1C[C@H](CC(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)CCO1 ZINC000911074631 727495079 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/nfs/dbraw/zinc/21/81/71/251218171.db2.gz IJEQKHVKWFLYPC-PELKAZGASA-N -1 0 346.196 2.575 10 0 EFAERM C[C@]1(CNC(=O)c2cc(Br)c(F)cc2[O-])CCCO1 ZINC000450080075 251255145 /nfs/dbraw/zinc/25/51/45/251255145.db2.gz AAIIZGDZXKTMHU-CYBMUJFWSA-N -1 0 332.169 2.593 10 0 EFAERM CCCCN(Cc1ccccc1Cl)C(=O)c1cnc([O-])n(C)c1=O ZINC000267698288 251265518 /nfs/dbraw/zinc/26/55/18/251265518.db2.gz ZJQADTAAJVLMAB-UHFFFAOYSA-N -1 0 349.818 2.582 10 0 EFAERM COc1ccc(CN=c2[n-]c(C3CCC3)no2)cc1OC(F)F ZINC000450250358 251315862 /nfs/dbraw/zinc/31/58/62/251315862.db2.gz JGMFURQNKNAFSH-UHFFFAOYSA-N -1 0 325.315 2.981 10 0 EFAERM COc1cc(OC)cc(OCCCN=c2[n-]c(C3CCC3)no2)c1 ZINC000450383557 251369603 /nfs/dbraw/zinc/36/96/03/251369603.db2.gz ZOSAYDMRWWPTRD-UHFFFAOYSA-N -1 0 333.388 2.657 10 0 EFAERM CC(=O)c1[n-]c(=N[C@H]2CCCN(c3ccccc3)C2=O)sc1C ZINC000450330877 251349390 /nfs/dbraw/zinc/34/93/90/251349390.db2.gz KCRYXYOZMOQLIO-AWEZNQCLSA-N -1 0 329.425 2.684 10 0 EFAERM COc1ccc(-c2noc(=N[C@@H](C)Cc3c(C)nn(C)c3C)[n-]2)cc1 ZINC000450354086 251356208 /nfs/dbraw/zinc/35/62/08/251356208.db2.gz JGHGIYDOCXPVEX-NSHDSACASA-N -1 0 341.415 2.561 10 0 EFAERM FC(F)Oc1cc2c(cc1CN=c1[n-]c(C3CCC3)no1)OCO2 ZINC000450378148 251365451 /nfs/dbraw/zinc/36/54/51/251365451.db2.gz KRSNSRXVHAGZDG-UHFFFAOYSA-N -1 0 339.298 2.701 10 0 EFAERM CCO[C@@H]1C[C@H](N=c2[n-]c(C3CCC3)no2)[C@@H]1Oc1ccccc1 ZINC000450450639 251392430 /nfs/dbraw/zinc/39/24/30/251392430.db2.gz CXWCHGPLZMKRCJ-XHSDSOJGSA-N -1 0 329.400 2.796 10 0 EFAERM CCO[C@@H]1C[C@@H](N=c2[n-]c(C3CCC3)no2)[C@@H]1Oc1ccccc1 ZINC000450450637 251393091 /nfs/dbraw/zinc/39/30/91/251393091.db2.gz CXWCHGPLZMKRCJ-OAGGEKHMSA-N -1 0 329.400 2.796 10 0 EFAERM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC000450534594 251410061 /nfs/dbraw/zinc/41/00/61/251410061.db2.gz GHACAQBZORDDSC-IBGZPJMESA-N -1 0 344.411 2.738 10 0 EFAERM CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000013253843 207367958 /nfs/dbraw/zinc/36/79/58/207367958.db2.gz IUMDQJRQRIXNDD-JKSUJKDBSA-N -1 0 344.411 2.774 10 0 EFAERM Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000013308572 207371481 /nfs/dbraw/zinc/37/14/81/207371481.db2.gz PBMPDULXLDQQKR-LLVKDONJSA-N -1 0 339.438 2.723 10 0 EFAERM O=C(N=c1[n-]ncs1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000454135555 252151725 /nfs/dbraw/zinc/15/17/25/252151725.db2.gz MFIFPPPEBFUKSO-UHFFFAOYSA-N -1 0 338.383 2.725 10 0 EFAERM COC[C@H]1CCCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000454356783 252231880 /nfs/dbraw/zinc/23/18/80/252231880.db2.gz GZEUKFMLAJPCHO-ZDUSSCGKSA-N -1 0 346.456 2.907 10 0 EFAERM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263471121 299567869 /nfs/dbraw/zinc/56/78/69/299567869.db2.gz RWICMYJKYUEYBO-NVBFEUDRSA-N -1 0 341.354 2.882 10 0 EFAERM C[C@@H]1CCCN(C(=O)c2cc(F)ccc2Br)[C@H]1C(=O)[O-] ZINC000235387112 296379873 /nfs/dbraw/zinc/37/98/73/296379873.db2.gz MBHRCYHROGJTIW-PRHODGIISA-N -1 0 344.180 2.914 10 0 EFAERM C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2F)[C@@H]1C(=O)[O-] ZINC000235393933 296380355 /nfs/dbraw/zinc/38/03/55/296380355.db2.gz KLZGAGMUJQOVLH-PELKAZGASA-N -1 0 344.180 2.914 10 0 EFAERM C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2F)[C@H]1C(=O)[O-] ZINC000235393964 296380411 /nfs/dbraw/zinc/38/04/11/296380411.db2.gz KLZGAGMUJQOVLH-PRHODGIISA-N -1 0 344.180 2.914 10 0 EFAERM C[C@@H]1CCCN(C(=O)c2csc(Br)c2)[C@H]1C(=O)[O-] ZINC000235293603 296383630 /nfs/dbraw/zinc/38/36/30/296383630.db2.gz FSHSPOXMOATLBF-GMSGAONNSA-N -1 0 332.219 2.836 10 0 EFAERM C[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)[C@H]1C(=O)[O-] ZINC000424273814 296386938 /nfs/dbraw/zinc/38/69/38/296386938.db2.gz XOSCBDOJAAXYFF-CRAIPNDOSA-N -1 0 346.471 2.999 10 0 EFAERM O=c1c2cc(Br)ccc2[n-]c(=S)n1Cc1cccnc1 ZINC000000425207 285208480 /nfs/dbraw/zinc/20/84/80/285208480.db2.gz KOLYDJNDAGZUKM-UHFFFAOYSA-N -1 0 348.225 2.891 10 0 EFAERM C[C@H](F)CCNC(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000454742822 255580652 /nfs/dbraw/zinc/58/06/52/255580652.db2.gz 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577152514 /nfs/dbraw/zinc/15/25/14/577152514.db2.gz OBHYZZXZYDCBDI-FLIBITNWSA-N -1 0 337.422 2.665 10 0 EFAERM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1c(F)cccc1Cl ZINC000766468121 577154486 /nfs/dbraw/zinc/15/44/86/577154486.db2.gz OJGMIKBYJFUSDZ-LURJTMIESA-N -1 0 332.611 2.951 10 0 EFAERM Cc1cc(Br)cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)c1 ZINC000766874147 577185888 /nfs/dbraw/zinc/18/58/88/577185888.db2.gz NNGPSIYZSUIMBC-UHFFFAOYSA-N -1 0 348.262 2.863 10 0 EFAERM C/C(=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC000767182298 577199015 /nfs/dbraw/zinc/19/90/15/577199015.db2.gz DLWFLILNGMKQMV-IRGFKAPSSA-N -1 0 347.455 2.851 10 0 EFAERM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C1(C(F)(F)F)CC1 ZINC000767571649 577215603 /nfs/dbraw/zinc/21/56/03/577215603.db2.gz OVVKYSUGGXUWMC-UHFFFAOYSA-N -1 0 341.738 2.796 10 0 EFAERM CCn1cc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)nc1C ZINC000768012668 577249186 /nfs/dbraw/zinc/24/91/86/577249186.db2.gz XXEFOEQYAVETAU-UHFFFAOYSA-N -1 0 337.449 2.714 10 0 EFAERM COc1ccc(O[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000393009954 577250377 /nfs/dbraw/zinc/25/03/77/577250377.db2.gz ZOWMIVATERUYQI-BFUOFWGJSA-N -1 0 343.379 2.579 10 0 EFAERM CCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)oc1CC ZINC000768165653 577259079 /nfs/dbraw/zinc/25/90/79/577259079.db2.gz JRKSHNVDLCNERI-UHFFFAOYSA-N -1 0 337.397 2.532 10 0 EFAERM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CC4CCC3CC4)cc2[n-]c1=S ZINC000768382063 577270497 /nfs/dbraw/zinc/27/04/97/577270497.db2.gz RNIPFIJQCVLMDM-QIMFLAQGSA-N -1 0 343.452 2.531 10 0 EFAERM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cnn(-c3ccccc3)n2)cc1 ZINC000768984647 577322471 /nfs/dbraw/zinc/32/24/71/577322471.db2.gz UTAHZNSGMPGSFH-VAWYXSNFSA-N -1 0 340.408 2.988 10 0 EFAERM Cc1cccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1Br ZINC000235789059 577331924 /nfs/dbraw/zinc/33/19/24/577331924.db2.gz WARMPTVUJYBIPZ-NSHDSACASA-N -1 0 328.206 2.987 10 0 EFAERM CCOc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@@H]1C ZINC000769309221 577350984 /nfs/dbraw/zinc/35/09/84/577350984.db2.gz 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/nfs/dbraw/zinc/39/00/71/577390071.db2.gz NKDOPXTZIXRBHG-UHFFFAOYSA-N -1 0 329.784 2.891 10 0 EFAERM Cc1ccsc1[C@H](CO)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000771231511 581190464 /nfs/dbraw/zinc/19/04/64/581190464.db2.gz AZSOGHZHLWXTLV-NSHDSACASA-N -1 0 334.422 2.950 10 0 EFAERM CN(C)c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cn1 ZINC000771532236 581220963 /nfs/dbraw/zinc/22/09/63/581220963.db2.gz OVSFJCKHTHCXBB-UHFFFAOYSA-N -1 0 334.376 2.569 10 0 EFAERM O=C(Nn1cc(Br)cn1)c1cc(F)c([O-])c(Cl)c1 ZINC000772430858 581321948 /nfs/dbraw/zinc/32/19/48/581321948.db2.gz LJKQEDYJNGPROS-UHFFFAOYSA-N -1 0 334.532 2.528 10 0 EFAERM CCOCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl ZINC000772788782 581368715 /nfs/dbraw/zinc/36/87/15/581368715.db2.gz YAFWDYKTWAVVDZ-MRVPVSSYSA-N -1 0 340.228 2.537 10 0 EFAERM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)c1cocn1 ZINC000772786643 581368731 /nfs/dbraw/zinc/36/87/31/581368731.db2.gz RGYHUOYYQCTOPR-SSDOTTSWSA-N -1 0 349.195 2.802 10 0 EFAERM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)o2)c(F)cc1F ZINC000773231043 581408120 /nfs/dbraw/zinc/40/81/20/581408120.db2.gz GNSVNQBRDLJTER-UHFFFAOYSA-N -1 0 330.312 2.625 10 0 EFAERM CC(=Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000773648705 581453863 /nfs/dbraw/zinc/45/38/63/581453863.db2.gz GKBXWNUXXSQWMJ-YGNAEDSMSA-N -1 0 346.818 2.973 10 0 EFAERM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C)cc1OC ZINC000773939285 581474551 /nfs/dbraw/zinc/47/45/51/581474551.db2.gz ACADESQFAKAXOS-LLVKDONJSA-N -1 0 343.445 2.581 10 0 EFAERM O=S(=O)(Cc1cnc(Cl)s1)c1nnc(-c2ccccc2)[n-]1 ZINC000774010372 581478440 /nfs/dbraw/zinc/47/84/40/581478440.db2.gz USRWPDZUQMKPBZ-UHFFFAOYSA-N -1 0 340.817 2.556 10 0 EFAERM O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1s[n-]c(=O)c1Cl ZINC000774090191 581482714 /nfs/dbraw/zinc/48/27/14/581482714.db2.gz BJNZMMZXZLWWII-UHFFFAOYSA-N -1 0 326.790 2.919 10 0 EFAERM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1coc(C2CCC2)n1 ZINC000774111745 581483915 /nfs/dbraw/zinc/48/39/15/581483915.db2.gz NMDFEMOMWKSJGN-LLVKDONJSA-N -1 0 334.397 2.763 10 0 EFAERM C[C@H](CC(C)(C)C)C(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000774114395 581484088 /nfs/dbraw/zinc/48/40/88/581484088.db2.gz KPFKYKVDGAPJKQ-CYBMUJFWSA-N -1 0 327.446 2.584 10 0 EFAERM Cc1nc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2Cl)sc1C ZINC000774179793 581486615 /nfs/dbraw/zinc/48/66/15/581486615.db2.gz LPBFTPGOMJVYIA-UHFFFAOYSA-N -1 0 344.845 2.840 10 0 EFAERM Cc1ccc(-c2nc(C(=O)[N-]S(=O)(=O)C3CCC3)cs2)cc1 ZINC000774299824 581489122 /nfs/dbraw/zinc/48/91/22/581489122.db2.gz VOLZXMXZYRPWPL-UHFFFAOYSA-N -1 0 336.438 2.731 10 0 EFAERM COCc1ccccc1S(=O)(=O)[N-]C(=O)/C(C)=C/C(C)(C)C ZINC000774305687 581489290 /nfs/dbraw/zinc/48/92/90/581489290.db2.gz TUTRHHVQZAJLSI-ZRDIBKRKSA-N -1 0 325.430 2.630 10 0 EFAERM COc1cccc(CS(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C)c1 ZINC000774386838 581490659 /nfs/dbraw/zinc/49/06/59/581490659.db2.gz ILZGOXGMDMMAMU-GFCCVEGCSA-N -1 0 327.446 2.714 10 0 EFAERM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CCCC12OCCO2 ZINC000774441575 581491643 /nfs/dbraw/zinc/49/16/43/581491643.db2.gz MXCYBJFAQHHEQD-CYBMUJFWSA-N -1 0 345.317 2.796 10 0 EFAERM O=S(=O)([N-]c1ccc(Cl)nn1)c1ccc(C(F)(F)F)cc1 ZINC000224250415 1248775513 /nfs/dbraw/zinc/77/55/13/1248775513.db2.gz PBSGUXQROAGQCQ-UHFFFAOYSA-N -1 0 337.710 2.950 10 0 EFAERM CSCCCCC(=O)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000851246925 1250882816 /nfs/dbraw/zinc/88/28/16/1250882816.db2.gz IKZCXFGTBFNMHL-UHFFFAOYSA-N -1 0 327.427 2.771 10 0 EFAERM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCc3nnn[n-]3)cc2)C[C@H]1C ZINC000449868625 1247949475 /nfs/dbraw/zinc/94/94/75/1247949475.db2.gz FIWNZTGINRLPBJ-JHJVBQTASA-N -1 0 329.404 2.790 10 0 EFAERM Cc1ccnc(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccccc2F)c1 ZINC000733866794 1265449872 /nfs/dbraw/zinc/44/98/72/1265449872.db2.gz WISOYPNRFNQXST-GFCCVEGCSA-N -1 0 336.388 2.528 10 0 EFAERM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)[N-]S(=O)(=O)c1ccccc1 ZINC000850729288 1250581322 /nfs/dbraw/zinc/58/13/22/1250581322.db2.gz GVZIOPSBLBCYTF-JSGCOSHPSA-N -1 0 329.368 2.707 10 0 EFAERM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)C1CC2(CC2(F)F)C1 ZINC000850731340 1250583578 /nfs/dbraw/zinc/58/35/78/1250583578.db2.gz QODMDBJABZHHRY-UHFFFAOYSA-N -1 0 335.759 2.580 10 0 EFAERM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)C1CC2(CC2(F)F)C1 ZINC000850733761 1250584442 /nfs/dbraw/zinc/58/44/42/1250584442.db2.gz UJDRXINMCRQYGR-UHFFFAOYSA-N -1 0 335.759 2.580 10 0 EFAERM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1)C1CCCCC1 ZINC000850732400 1250584707 /nfs/dbraw/zinc/58/47/07/1250584707.db2.gz FIGRTEKEXDHTAS-MRXNPFEDSA-N -1 0 339.457 2.704 10 0 EFAERM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC000850733556 1250585737 /nfs/dbraw/zinc/58/57/37/1250585737.db2.gz VUOHLHUEBAVRBW-CQSZACIVSA-N -1 0 335.425 2.665 10 0 EFAERM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)C2CC3(CC3)C2)c1 ZINC000850735915 1250585817 /nfs/dbraw/zinc/58/58/17/1250585817.db2.gz FAMRXTBKQJQOHB-UHFFFAOYSA-N -1 0 330.409 2.538 10 0 EFAERM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2ccco2)cc1 ZINC000850736741 1250586794 /nfs/dbraw/zinc/58/67/94/1250586794.db2.gz MPOSAJRWVNOWHF-CYBMUJFWSA-N -1 0 335.425 2.916 10 0 EFAERM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2ccco2)cc1 ZINC000850736742 1250586815 /nfs/dbraw/zinc/58/68/15/1250586815.db2.gz MPOSAJRWVNOWHF-ZDUSSCGKSA-N -1 0 335.425 2.916 10 0 EFAERM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CC=C(C)CC2)c1 ZINC000850735693 1250587394 /nfs/dbraw/zinc/58/73/94/1250587394.db2.gz GTIUDLYLABZYNP-KRWDZBQOSA-N -1 0 335.425 2.831 10 0 EFAERM CC1(C)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000850739794 1250589431 /nfs/dbraw/zinc/58/94/31/1250589431.db2.gz MXXQACJADDEELC-VIFPVBQESA-N -1 0 346.246 2.690 10 0 EFAERM CC(C)(CC(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000850739907 1250589724 /nfs/dbraw/zinc/58/97/24/1250589724.db2.gz NKBMSRKSGDDIFK-UHFFFAOYSA-N -1 0 349.374 2.959 10 0 EFAERM C[C@@H](Cc1ccco1)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000850797768 1250621369 /nfs/dbraw/zinc/62/13/69/1250621369.db2.gz RXCHHHRKUIYFCJ-ZDUSSCGKSA-N -1 0 345.420 2.892 10 0 EFAERM 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CCCn1cc(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])nn1 ZINC001471672997 1397196848 /nfs/dbraw/zinc/19/68/48/1397196848.db2.gz QWJYUXINCGHRGE-UHFFFAOYSA-N -1 0 329.187 2.631 10 0 EFAERM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2ccc(Cl)c([O-])c2)C1 ZINC001471690191 1397198743 /nfs/dbraw/zinc/19/87/43/1397198743.db2.gz UOXNAXHJUBGAQU-XYPYZODXSA-N -1 0 325.792 2.896 10 0 EFAERM C/C(=C/C1CCC(C)CC1)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001471852781 1397216334 /nfs/dbraw/zinc/21/63/34/1397216334.db2.gz CVUIFCOYQUUEBU-VDDAWLKTSA-N -1 0 331.464 2.753 10 0 EFAERM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@](C)(O)Cc2ccccc2)c1 ZINC001471979750 1397229949 /nfs/dbraw/zinc/22/99/49/1397229949.db2.gz LVRPGQURXFIXNC-GOSISDBHSA-N -1 0 331.343 2.666 10 0 EFAERM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cc(C)cn3ccnc23)c1 ZINC001471979937 1397229994 /nfs/dbraw/zinc/22/99/94/1397229994.db2.gz UPSYIGYJPXBBHC-UHFFFAOYSA-N -1 0 327.315 2.942 10 0 EFAERM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@@H](c2ncccn2)C1 ZINC001472054884 1397240599 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Brc1ccc(CN=c2[n-]c(C3CCOCC3)no2)cc1 ZINC000577266897 320094024 /nfs/dbraw/zinc/09/40/24/320094024.db2.gz LXCLLJXNDIWTSD-UHFFFAOYSA-N -1 0 338.205 2.760 10 0 EFAERM CCO[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000577391070 320107048 /nfs/dbraw/zinc/10/70/48/320107048.db2.gz IKRAGVRCIJYTFY-FVQBIDKESA-N -1 0 334.416 2.516 10 0 EFAERM CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000577395105 320107253 /nfs/dbraw/zinc/10/72/53/320107253.db2.gz IUGPRMLAMRKIKU-WMLDXEAASA-N -1 0 332.444 2.615 10 0 EFAERM CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000577395100 320107426 /nfs/dbraw/zinc/10/74/26/320107426.db2.gz IUGPRMLAMRKIKU-PBHICJAKSA-N -1 0 332.444 2.615 10 0 EFAERM O=S(=O)([N-]c1cc([C@H]2CCCO2)[nH]n1)c1cccc2cccnc21 ZINC000577919371 320155784 /nfs/dbraw/zinc/15/57/84/320155784.db2.gz KHWDPRSWFJCEIB-CYBMUJFWSA-N -1 0 344.396 2.610 10 0 EFAERM O=C1C[C@@H](Oc2cccc(N=c3nc(C4CCCC4)[n-]s3)c2)N1 ZINC000577945959 320158537 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CC[C@@](COC)(NC(=O)NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000578221357 320185201 /nfs/dbraw/zinc/18/52/01/320185201.db2.gz RJEIZEHQOXRQAY-AWEZNQCLSA-N -1 0 349.214 2.672 10 0 EFAERM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCCC3=O)C[C@@H]1C(=O)[O-] ZINC000578237569 320187587 /nfs/dbraw/zinc/18/75/87/320187587.db2.gz TUKMKOCBTIJJNY-NHYWBVRUSA-N -1 0 330.384 2.780 10 0 EFAERM CN(C)C(=O)Cc1ccc(NC(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000578239524 320188096 /nfs/dbraw/zinc/18/80/96/320188096.db2.gz IAORHBXTOZXAQD-UHFFFAOYSA-N -1 0 346.427 2.537 10 0 EFAERM C[C@H](N=c1nc(C(C)(C)C)o[n-]1)c1ncc(Br)cn1 ZINC000578299816 320192253 /nfs/dbraw/zinc/19/22/53/320192253.db2.gz HQNBIDXZJOYAMR-ZETCQYMHSA-N -1 0 326.198 2.515 10 0 EFAERM Cc1c2ccccc2nc(CN2CCOC[C@H]2C2CC2)c1C(=O)[O-] ZINC000578329858 320196320 /nfs/dbraw/zinc/19/63/20/320196320.db2.gz QFVCIYHTWLYLSX-KRWDZBQOSA-N -1 0 326.396 2.852 10 0 EFAERM CNS(=O)(=O)c1cc(N[C@@H](C)Cc2ccsc2)ccc1F ZINC000578367068 320200012 /nfs/dbraw/zinc/20/00/12/320200012.db2.gz 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O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)NCC1CCC(F)(F)CC1 ZINC000519097187 478209782 /nfs/dbraw/zinc/20/97/82/478209782.db2.gz RPCFFEJODHGVQB-AGIUHOORSA-N -1 0 330.375 2.707 10 0 EFAERM Cc1sc(N2CCN(C/C=C/c3ccccc3)CC2)nc1C(=O)[O-] ZINC000519545483 478232969 /nfs/dbraw/zinc/23/29/69/478232969.db2.gz PSEIFCMUCJRGFC-VMPITWQZSA-N -1 0 343.452 2.985 10 0 EFAERM COc1ccc(CCCC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000519551765 478233028 /nfs/dbraw/zinc/23/30/28/478233028.db2.gz VEXOJKNTAWHDAX-BBRMVZONSA-N -1 0 349.427 2.596 10 0 EFAERM CCc1ccc(CS(=O)(=O)N[C@H](C[C@H](C)CC)C(=O)[O-])cc1 ZINC000519575084 478234144 /nfs/dbraw/zinc/23/41/44/478234144.db2.gz DVWSHWFAAKZCOD-IUODEOHRSA-N -1 0 327.446 2.558 10 0 EFAERM CC(C)Oc1ccc(CCNC(=O)N[C@H](CC2CC2)C(=O)[O-])cc1 ZINC000562398120 478243729 /nfs/dbraw/zinc/24/37/29/478243729.db2.gz QUFLQYOUKSMPHX-MRXNPFEDSA-N -1 0 334.416 2.569 10 0 EFAERM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)Nc1ccncc1 ZINC000562412210 478245609 /nfs/dbraw/zinc/24/56/09/478245609.db2.gz DLMLUADITFIPAK-YOEHRIQHSA-N -1 0 339.395 2.588 10 0 EFAERM COc1ccc([C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)[O-])c(OC)c1 ZINC000562412229 478245908 /nfs/dbraw/zinc/24/59/08/478245908.db2.gz GKUHXGJNJQOBKU-OAHLLOKOSA-N -1 0 348.330 2.790 10 0 EFAERM O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc(F)c2ccccc12 ZINC000562434305 478248788 /nfs/dbraw/zinc/24/87/88/478248788.db2.gz LMNHUOBIZMKLJB-UHFFFAOYSA-N -1 0 325.347 2.691 10 0 EFAERM Cc1nc2cc(NC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])ccc2o1 ZINC000562432890 478248805 /nfs/dbraw/zinc/24/88/05/478248805.db2.gz TXIOJJYWTKNDSU-ITDIGPHOSA-N -1 0 329.356 2.853 10 0 EFAERM C/C=C\C[C@H](NC(=O)NC[C@@H]1SCCc2ccccc21)C(=O)[O-] ZINC000562460026 478252982 /nfs/dbraw/zinc/25/29/82/478252982.db2.gz LZXXXPSVXBOHCC-PZGMIKLFSA-N -1 0 334.441 2.736 10 0 EFAERM Cc1ncc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC000562461379 478253024 /nfs/dbraw/zinc/25/30/24/478253024.db2.gz IBMJEDMTVVRXJY-CYBMUJFWSA-N -1 0 337.376 2.524 10 0 EFAERM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000562460015 478253122 /nfs/dbraw/zinc/25/31/22/478253122.db2.gz LYMODBWTMRLETB-QGHHPUGFSA-N -1 0 336.436 2.560 10 0 EFAERM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000562460013 478253158 /nfs/dbraw/zinc/25/31/58/478253158.db2.gz LYMODBWTMRLETB-BTDLBPIBSA-N -1 0 336.436 2.560 10 0 EFAERM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2OC)cc1 ZINC000562464846 478253456 /nfs/dbraw/zinc/25/34/56/478253456.db2.gz ZGOUBGHREYHRDG-UHFFFAOYSA-N -1 0 349.408 2.520 10 0 EFAERM COc1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2O)ccc1F ZINC000562477258 478255210 /nfs/dbraw/zinc/25/52/10/478255210.db2.gz FJXKKFBDECXGDQ-UHFFFAOYSA-N -1 0 339.344 2.543 10 0 EFAERM Cc1cccc2[nH]c(CNC(=O)CC3(C(=O)[O-])CCCCC3)nc21 ZINC000536556780 478257879 /nfs/dbraw/zinc/25/78/79/478257879.db2.gz GBAPMENBSBGHTF-UHFFFAOYSA-N -1 0 329.400 2.913 10 0 EFAERM Nc1nc2c(c(-c3ccccc3)n1)CN(c1cccc(C(=O)[O-])c1)C2 ZINC000536559848 478258502 /nfs/dbraw/zinc/25/85/02/478258502.db2.gz KUHIHEQLANDXNG-UHFFFAOYSA-N -1 0 332.363 2.944 10 0 EFAERM CCN(C(=O)N=c1nc(-c2sccc2C)[n-]s1)[C@@H]1CCOC1 ZINC000519796868 478260356 /nfs/dbraw/zinc/26/03/56/478260356.db2.gz NNCRKRLVXBBXST-SNVBAGLBSA-N -1 0 338.458 2.640 10 0 EFAERM Cc1ccsc1-c1nc(=NC(=O)c2cc3n(n2)CCCC3)s[n-]1 ZINC000562536936 478264419 /nfs/dbraw/zinc/26/44/19/478264419.db2.gz BIVSECKXAHYNHD-UHFFFAOYSA-N -1 0 345.453 2.782 10 0 EFAERM Cc1ccc(SCCN2CCC[C@@H]2c2nc(=N)n(C)[nH]2)cc1C ZINC000562542240 478265274 /nfs/dbraw/zinc/26/52/74/478265274.db2.gz FJGZOVKRPAXBIH-OAHLLOKOSA-N -1 0 331.489 2.774 10 0 EFAERM CCO[C@@H]1CCC[C@H]1NC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000562605432 478279684 /nfs/dbraw/zinc/27/96/84/478279684.db2.gz YGZDFQBDOKLWQT-GHMZBOCLSA-N -1 0 338.458 2.768 10 0 EFAERM CCOC[C@@H](C)CS(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000579360626 478280061 /nfs/dbraw/zinc/28/00/61/478280061.db2.gz LPRZQQBDGPARAR-OLZOCXBDSA-N -1 0 343.445 2.679 10 0 EFAERM O=C([O-])c1c(C2CC2)nc2n1CCN(C(=O)OCc1ccccc1)C2 ZINC000536954349 478280667 /nfs/dbraw/zinc/28/06/67/478280667.db2.gz LVMRMFPYMRHBGX-UHFFFAOYSA-N -1 0 341.367 2.611 10 0 EFAERM COC(=O)[C@@](O)(C=C([O-])c1ccccc1C(F)(F)F)C(F)(F)F ZINC000536961226 478281358 /nfs/dbraw/zinc/28/13/58/478281358.db2.gz YJQDGYVTLGZNNI-NSHDSACASA-N -1 0 344.207 2.745 10 0 EFAERM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000570094814 478282042 /nfs/dbraw/zinc/28/20/42/478282042.db2.gz NMRDLBIPVQQJQN-UHFFFAOYSA-N -1 0 335.429 2.724 10 0 EFAERM COC[C@](CC(C)(C)C)(ONC(=O)OCc1ccccc1)C(=O)[O-] ZINC000536958799 478282427 /nfs/dbraw/zinc/28/24/27/478282427.db2.gz HKVSTFSXOHPRTR-KRWDZBQOSA-N -1 0 339.388 2.750 10 0 EFAERM CO[C@@H](CS(=O)(=O)[N-]c1cc(C2C(C)(C)C2(C)C)[nH]n1)C1CC1 ZINC000570094090 478282646 /nfs/dbraw/zinc/28/26/46/478282646.db2.gz ZWYHLGARSOMALU-LBPRGKRZSA-N -1 0 341.477 2.726 10 0 EFAERM CC[C@@H](NC(=O)NCc1cc(Cl)ccc1Br)C(=O)[O-] ZINC000520230333 478286864 /nfs/dbraw/zinc/28/68/64/478286864.db2.gz LJLRILAKEVBOPG-SNVBAGLBSA-N -1 0 349.612 2.765 10 0 EFAERM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000537124241 478287395 /nfs/dbraw/zinc/28/73/95/478287395.db2.gz HMHYYQDBSLINJP-SNVBAGLBSA-N -1 0 344.806 2.663 10 0 EFAERM O=C(N=c1nc2ccccn2[n-]1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000537319188 478297036 /nfs/dbraw/zinc/29/70/36/478297036.db2.gz VFNKDAPKYZXEGN-UHFFFAOYSA-N -1 0 326.359 2.975 10 0 EFAERM CC(C)C[C@@H](CNC(=O)c1cccc2n[nH]nc21)C(=O)OC(C)(C)C ZINC000579465687 478303636 /nfs/dbraw/zinc/30/36/36/478303636.db2.gz BURVJRFPXBAGJF-LBPRGKRZSA-N -1 0 346.431 2.692 10 0 EFAERM COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000520403146 478305410 /nfs/dbraw/zinc/30/54/10/478305410.db2.gz JVOJVKPAEVKUDZ-WOPDTQHZSA-N -1 0 338.379 2.648 10 0 EFAERM CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)c1ccc(O)c(C)c1 ZINC000600246506 478307556 /nfs/dbraw/zinc/30/75/56/478307556.db2.gz WTADYJBPPUWCQY-INIZCTEOSA-N -1 0 329.352 2.596 10 0 EFAERM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cnc2n1CCC2 ZINC000570260259 478318596 /nfs/dbraw/zinc/31/85/96/478318596.db2.gz WUXUAEWXELMAPV-UHFFFAOYSA-N -1 0 331.319 2.649 10 0 EFAERM O=S(=O)([N-]c1cc([C@H]2CCCO2)[nH]n1)c1cccc(Cl)c1 ZINC000579543691 478318545 /nfs/dbraw/zinc/31/85/45/478318545.db2.gz XDEHXLUFPCFQOR-GFCCVEGCSA-N -1 0 327.793 2.715 10 0 EFAERM CN1CC[C@@H](N=c2[n-]c(C3CCC3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000562695391 478319725 /nfs/dbraw/zinc/31/97/25/478319725.db2.gz WEZCQDHBMLTGCR-HUUCEWRRSA-N -1 0 334.370 2.895 10 0 EFAERM COC(=O)[C@@]1(NC(=O)c2s[n-]c(=O)c2Cl)CCCC(C)(C)C1 ZINC000600287306 478326352 /nfs/dbraw/zinc/32/63/52/478326352.db2.gz TTWUQGJKRKHSDJ-CQSZACIVSA-N -1 0 346.836 2.744 10 0 EFAERM Cc1c(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cnn1-c1cccc(C)c1 ZINC000570279809 478326852 /nfs/dbraw/zinc/32/68/52/478326852.db2.gz NMRXKRZDVMBUAM-GUYCJALGSA-N -1 0 341.411 2.672 10 0 EFAERM CC1(C)CCC(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000579587383 478332867 /nfs/dbraw/zinc/33/28/67/478332867.db2.gz GHHHHYVJJCWUQO-UHFFFAOYSA-N -1 0 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349.427 2.527 10 0 EFAERM CCC[C@@](C)(NC(=O)Cc1ccc(OC)c(OC(F)F)c1)C(=O)[O-] ZINC000630125591 480559036 /nfs/dbraw/zinc/55/90/36/480559036.db2.gz YSZRQYNAXOQTGE-MRXNPFEDSA-N -1 0 345.342 2.599 10 0 EFAERM CC[C@@](C)(NC(=O)Cc1csc(CCC(F)(F)F)n1)C(=O)[O-] ZINC000630126092 480559183 /nfs/dbraw/zinc/55/91/83/480559183.db2.gz COJKTQGVTFOGHA-GFCCVEGCSA-N -1 0 338.351 2.550 10 0 EFAERM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2ocnc2C(F)F)c1 ZINC000630125987 480559204 /nfs/dbraw/zinc/55/92/04/480559204.db2.gz ZHARIATUINPGEY-JTQLQIEISA-N -1 0 340.282 2.567 10 0 EFAERM CC1(C)C[C@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C(C)(C)O1 ZINC000630127358 480560839 /nfs/dbraw/zinc/56/08/39/480560839.db2.gz RMXCRQODIVKDPC-CABCVRRESA-N -1 0 331.412 2.618 10 0 EFAERM O=S(=O)(c1cccc(Cl)c1[O-])N1CCSC[C@H]1C1CC1 ZINC000632413228 480562444 /nfs/dbraw/zinc/56/24/44/480562444.db2.gz XIRMRDCRVMMYMR-NSHDSACASA-N -1 0 333.862 2.562 10 0 EFAERM O=S(=O)(c1cccc(Cl)c1[O-])N1CCSC[C@@H]1C1CC1 ZINC000632413227 480562454 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CO[C@@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)[C@@H]1CCOC1 ZINC000630287652 480653937 /nfs/dbraw/zinc/65/39/37/480653937.db2.gz RFXXYYGZSVQJQT-BDJLRTHQSA-N -1 0 329.352 2.528 10 0 EFAERM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc(-n2ccc(C(=O)[O-])n2)c(F)c1 ZINC000630288078 480654194 /nfs/dbraw/zinc/65/41/94/480654194.db2.gz ZJNFBBDIDGFQEL-BMIGLBTASA-N -1 0 349.362 2.709 10 0 EFAERM C[C@@H]1C[C@H](C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)O[C@H]1C(=O)[O-] ZINC000630288187 480654231 /nfs/dbraw/zinc/65/42/31/480654231.db2.gz AHXBXUCHLCQAPM-PZTHBURQSA-N -1 0 337.803 2.534 10 0 EFAERM O=C([O-])c1ccc(NC(=O)COC[C@@H]2CCCO2)c2ccccc12 ZINC000630287793 480654401 /nfs/dbraw/zinc/65/44/01/480654401.db2.gz VHWPBNQDRMSZJF-LBPRGKRZSA-N -1 0 329.352 2.672 10 0 EFAERM CCO[C@@H](C(=O)Nc1ccc(-n2ccc(C(=O)[O-])n2)c(F)c1)C(C)C ZINC000630287713 480654425 /nfs/dbraw/zinc/65/44/25/480654425.db2.gz SQFXMVPCMJPHAI-OAHLLOKOSA-N -1 0 349.362 2.709 10 0 EFAERM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000634944624 480654661 /nfs/dbraw/zinc/65/46/61/480654661.db2.gz AOMMQHVEPCTCOS-SOUVJXGZSA-N -1 0 339.819 2.987 10 0 EFAERM O=C([O-])C1(CC(=O)N2CCCSc3ccccc32)CCOCC1 ZINC000630290692 480657123 /nfs/dbraw/zinc/65/71/23/480657123.db2.gz YIJOIPBJIWIHDD-UHFFFAOYSA-N -1 0 335.425 2.787 10 0 EFAERM CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc(C(=O)[O-])co1 ZINC000630291278 480657320 /nfs/dbraw/zinc/65/73/20/480657320.db2.gz RZLXJWBOPKBCHZ-UHFFFAOYSA-N -1 0 333.340 2.657 10 0 EFAERM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CC1(C(=O)[O-])CCOCC1 ZINC000630294358 480658023 /nfs/dbraw/zinc/65/80/23/480658023.db2.gz IJSCIZYUAFQSKY-NVXWUHKLSA-N -1 0 345.439 2.738 10 0 EFAERM O=C([O-])C1(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)CCCC1 ZINC000630294288 480658250 /nfs/dbraw/zinc/65/82/50/480658250.db2.gz KKHDVOLYWICNFK-IBGZPJMESA-N -1 0 329.396 2.680 10 0 EFAERM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC000630297991 480660041 /nfs/dbraw/zinc/66/00/41/480660041.db2.gz UKAMEDRHKDFHDZ-OASPWFOLSA-N -1 0 345.317 2.508 10 0 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O=C([O-])C1(C(=O)N2CCC(Oc3ccccc3F)CC2)CCCC1 ZINC000630313312 480667079 /nfs/dbraw/zinc/66/70/79/480667079.db2.gz GXFFRQUJDCVHDD-UHFFFAOYSA-N -1 0 335.375 2.841 10 0 EFAERM CO[C@@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)[C@](C)(C(=O)[O-])C1 ZINC000630315261 480667591 /nfs/dbraw/zinc/66/75/91/480667591.db2.gz WQKBGQQRGFRMCY-VOJFVSQTSA-N -1 0 347.342 2.790 10 0 EFAERM COc1ccc(N(CC2CC2)C(=O)CC2(C(=O)[O-])CCOCC2)cc1 ZINC000630317081 480668018 /nfs/dbraw/zinc/66/80/18/480668018.db2.gz PUSVXXJSZVYJFG-UHFFFAOYSA-N -1 0 347.411 2.710 10 0 EFAERM COc1ccc(CCCC(=O)N2C3CCC2(C(=O)[O-])CC3)c(OC)c1 ZINC000630321317 480669668 /nfs/dbraw/zinc/66/96/68/480669668.db2.gz DWLJODRSYUOAOH-UHFFFAOYSA-N -1 0 347.411 2.635 10 0 EFAERM O=C([O-])C12CCC(CC1)N2C(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000630325309 480671546 /nfs/dbraw/zinc/67/15/46/480671546.db2.gz PNOUQDHENDZHTA-UHFFFAOYSA-N -1 0 335.310 2.722 10 0 EFAERM Cc1ccc(-c2nc(CC(=O)N3C4CCC3(C(=O)[O-])CC4)cs2)o1 ZINC000630324399 480671754 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SLTDDHSJLITOSL-VFVRVIDISA-N -1 0 338.448 2.524 10 0 EFAERM O=C([O-])[C@@H](NC(=O)NC[C@@H]1CCCC12CC2)c1ccc2c(c1)CCO2 ZINC000630491387 480746602 /nfs/dbraw/zinc/74/66/02/480746602.db2.gz DYNKTPHMFWONJD-HOCLYGCPSA-N -1 0 344.411 2.627 10 0 EFAERM O=C([O-])[C@H](CC1CC1)NC(=O)NCc1ccccc1CC(F)(F)F ZINC000630492748 480747047 /nfs/dbraw/zinc/74/70/47/480747047.db2.gz VWWYXFOGWSJBCL-ZDUSSCGKSA-N -1 0 344.333 2.844 10 0 EFAERM C/C=C\C[C@H](NC(=O)NCc1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000630493129 480747168 /nfs/dbraw/zinc/74/71/68/480747168.db2.gz IAWKXPLTSISNAV-XADBCAIWSA-N -1 0 336.335 2.986 10 0 EFAERM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000630493408 480747266 /nfs/dbraw/zinc/74/72/66/480747266.db2.gz JHHGBEKVJMDHAS-ZIAGYGMSSA-N -1 0 328.453 2.722 10 0 EFAERM CC(C)(C)OCC[C@@H](NC(=O)NC[C@H]1CCCC12CC2)C(=O)[O-] ZINC000630494098 480747699 /nfs/dbraw/zinc/74/76/99/480747699.db2.gz MZUSNFLDQNNPCX-CHWSQXEVSA-N -1 0 326.437 2.524 10 0 EFAERM CCC(C)(C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000630494392 480747722 /nfs/dbraw/zinc/74/77/22/480747722.db2.gz HHBABKJFGQDVFN-MCIONIFRSA-N -1 0 328.453 2.770 10 0 EFAERM C[C@@](NC(=O)NCc1ccsc1C(F)(F)F)(C(=O)[O-])C1CC1 ZINC000630494642 480747834 /nfs/dbraw/zinc/74/78/34/480747834.db2.gz QSYLNUZQNODJBI-LBPRGKRZSA-N -1 0 336.335 2.819 10 0 EFAERM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000630494851 480748023 /nfs/dbraw/zinc/74/80/23/480748023.db2.gz RXCQMZPCTJUUOK-ZACQAIPSSA-N -1 0 346.427 2.801 10 0 EFAERM O=C([O-])[C@H](CC(F)F)NC(=O)NCc1csc(C(F)(F)F)c1 ZINC000630493674 480748262 /nfs/dbraw/zinc/74/82/62/480748262.db2.gz MKSCCVLKKOEEII-LURJTMIESA-N -1 0 346.277 2.675 10 0 EFAERM C[C@](NC(=O)NCCc1c[nH]c2c1cccc2Cl)(C(=O)[O-])C1CC1 ZINC000630495480 480749411 /nfs/dbraw/zinc/74/94/11/480749411.db2.gz XHNCLKIWWAMOGQ-QGZVFWFLSA-N -1 0 349.818 2.916 10 0 EFAERM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000630498455 480750754 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CO[C@@H]1CN(C(=O)Nc2cc(F)cc(Cl)c2)[C@](C)(C(=O)[O-])C1 ZINC000630545536 480773044 /nfs/dbraw/zinc/77/30/44/480773044.db2.gz KWRRJIHQGMOCQR-FZMZJTMJSA-N -1 0 330.743 2.575 10 0 EFAERM CSc1cccc(NC(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])c1 ZINC000630546142 480773654 /nfs/dbraw/zinc/77/36/54/480773654.db2.gz TZQDQMRAHWPOKR-BXUZGUMPSA-N -1 0 338.429 2.800 10 0 EFAERM CO[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@](C)(C(=O)[O-])C1 ZINC000630546130 480774207 /nfs/dbraw/zinc/77/42/07/480774207.db2.gz SQCFAIRBUXMYIB-RISCZKNCSA-N -1 0 346.305 2.801 10 0 EFAERM CO[C@H]1CN(C(=O)Nc2ccc3occ(C)c3c2)[C@@](C)(C(=O)[O-])C1 ZINC000630547831 480774499 /nfs/dbraw/zinc/77/44/99/480774499.db2.gz LLBLSRIKZFZGFD-SJKOYZFVSA-N -1 0 332.356 2.837 10 0 EFAERM CCc1ccc(NC(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1F ZINC000630548053 480774764 /nfs/dbraw/zinc/77/47/64/480774764.db2.gz UARNBPIHPREDCM-NHYWBVRUSA-N -1 0 338.379 2.780 10 0 EFAERM C[C@](NC(=O)Nc1cc(F)cc(OC(F)F)c1)(C(=O)[O-])C1CC1 ZINC000630550375 480775850 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COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cc(C)c(C)cc2Cl)C1 ZINC000630567693 480783846 /nfs/dbraw/zinc/78/38/46/480783846.db2.gz ARWJLXMRUISPLL-MRXNPFEDSA-N -1 0 340.807 2.912 10 0 EFAERM CCc1ccc(NC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)cc1CC ZINC000630566369 480783852 /nfs/dbraw/zinc/78/38/52/480783852.db2.gz ZJXNAFSLNZHJIG-GOSISDBHSA-N -1 0 334.416 2.766 10 0 EFAERM Cc1nc(C(F)(F)F)ccc1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000630568606 480784591 /nfs/dbraw/zinc/78/45/91/480784591.db2.gz RAXPWIHGDVHTCB-WPRPVWTQSA-N -1 0 345.321 2.983 10 0 EFAERM CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C)C(=O)[O-] ZINC000630571581 480787013 /nfs/dbraw/zinc/78/70/13/480787013.db2.gz YYUNQFFASKHLPO-SMDDNHRTSA-N -1 0 347.415 2.635 10 0 EFAERM CN(CC(=O)[O-])C(=O)c1ccc(-c2ccc3c(c2)CCOC3)s1 ZINC000630574179 480788427 /nfs/dbraw/zinc/78/84/27/480788427.db2.gz BYTBKZPSNUFLCB-UHFFFAOYSA-N -1 0 331.393 2.644 10 0 EFAERM O=C([O-])[C@H]1CCOc2ccc(-c3cc4c(cc3CO)OCCO4)cc21 ZINC000630577206 480788644 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CCCC1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)CC1 ZINC000630650079 480820479 /nfs/dbraw/zinc/82/04/79/480820479.db2.gz WTGCALFQUTYUHZ-DLBZAZTESA-N -1 0 344.455 2.801 10 0 EFAERM C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)C1 ZINC000630650004 480821240 /nfs/dbraw/zinc/82/12/40/480821240.db2.gz NHWBYJMMRFPDKZ-CYGHRXIMSA-N -1 0 344.455 2.609 10 0 EFAERM CCC(CC)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630653326 480821900 /nfs/dbraw/zinc/82/19/00/480821900.db2.gz JYPYRXNLHADFFX-SJORKVTESA-N -1 0 332.444 2.657 10 0 EFAERM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCC2CCCC2)N1Cc1ccccc1 ZINC000630655473 480822092 /nfs/dbraw/zinc/82/20/92/480822092.db2.gz GABGNYDBVFYUEQ-MSOLQXFVSA-N -1 0 344.455 2.801 10 0 EFAERM CC(C)CCN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630653554 480822851 /nfs/dbraw/zinc/82/28/51/480822851.db2.gz ANILBEMUKSNXLK-IAGOWNOFSA-N -1 0 332.444 2.609 10 0 EFAERM CN(CC1CCCC1)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630656156 480823867 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337.366 2.999 10 0 EFAERM Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000656243919 546740225 /nfs/dbraw/zinc/74/02/25/546740225.db2.gz HTNOTCHDYJXKCE-HZMBPMFUSA-N -1 0 328.368 2.574 10 0 EFAERM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(OCC(F)(F)F)o1 ZINC000656242074 546740492 /nfs/dbraw/zinc/74/04/92/546740492.db2.gz LSJQHNGWJTUOAP-CYBMUJFWSA-N -1 0 337.294 2.840 10 0 EFAERM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)C[C@@H]1OCc2ccccc21 ZINC000656244566 546741170 /nfs/dbraw/zinc/74/11/70/546741170.db2.gz ZLNJPWSIZJRDRX-KRWDZBQOSA-N -1 0 343.354 2.901 10 0 EFAERM O=C([O-])[C@@H](CNC(=O)C[C@H]1OCc2cc(Cl)ccc21)CC1CC1 ZINC000656244291 546741336 /nfs/dbraw/zinc/74/13/36/546741336.db2.gz HEUWZBJRUYIBCF-IAQYHMDHSA-N -1 0 337.803 2.919 10 0 EFAERM CCc1csc(CC2CCN(C(=O)C3CC(C(=O)[O-])C3)CC2)n1 ZINC000656247276 546743190 /nfs/dbraw/zinc/74/31/90/546743190.db2.gz GEDUOMQTVQIROO-UHFFFAOYSA-N -1 0 336.457 2.597 10 0 EFAERM C[C@@](NC(=O)C[C@H]1OCc2ccccc21)(C(=O)[O-])c1ccc(F)cc1 ZINC000656250876 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Cc1ccc(CNC(=O)C[C@]2(C(=O)[O-])CCOC2)c2ccccc12 ZINC000656484739 546816469 /nfs/dbraw/zinc/81/64/69/546816469.db2.gz VKMPSZKBNKYBIB-LJQANCHMSA-N -1 0 327.380 2.646 10 0 EFAERM O=C([O-])[C@@]1(CC(=O)NCc2ccc(-c3ccco3)cc2F)CCOC1 ZINC000656482813 546816492 /nfs/dbraw/zinc/81/64/92/546816492.db2.gz NRUOUMIPOBBEAS-GOSISDBHSA-N -1 0 347.342 2.583 10 0 EFAERM Cc1ccc(C2(CNC(=O)C[C@]3(C(=O)[O-])CCOC3)CCC2)cc1C ZINC000656483029 546816514 /nfs/dbraw/zinc/81/65/14/546816514.db2.gz QUFCNDDYYBEPPZ-HXUWFJFHSA-N -1 0 345.439 2.723 10 0 EFAERM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCC(F)(F)c1cccc(F)c1 ZINC000656486149 546817203 /nfs/dbraw/zinc/81/72/03/546817203.db2.gz ILDRVATVEDTNPV-CHWSQXEVSA-N -1 0 327.302 2.701 10 0 EFAERM Cn1ncc(C2CCC2)c1CNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000656486157 546817331 /nfs/dbraw/zinc/81/73/31/546817331.db2.gz ULVYCCKKUCSXLD-UHFFFAOYSA-N -1 0 333.432 2.729 10 0 EFAERM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCC(F)(F)c1cccc(F)c1 ZINC000656486152 546817397 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Cc1ccnc(-c2cccc(NC(=O)N3CC4CC3(C(=O)[O-])C4)c2)n1 ZINC000656506684 546824557 /nfs/dbraw/zinc/82/45/57/546824557.db2.gz XMEABTOOVFRCCE-UHFFFAOYSA-N -1 0 338.367 2.533 10 0 EFAERM C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656511444 546824996 /nfs/dbraw/zinc/82/49/96/546824996.db2.gz AOAYVHPOCJZWRB-OCCSQVGLSA-N -1 0 349.811 2.542 10 0 EFAERM C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000656512347 546825862 /nfs/dbraw/zinc/82/58/62/546825862.db2.gz JABXFOBMSUNIIR-NXEZZACHSA-N -1 0 347.399 2.774 10 0 EFAERM C[C@@H](CC(F)(F)F)CS(=O)(=O)N[C@H](CC(=O)[O-])CC(C)(C)C ZINC000656512152 546826132 /nfs/dbraw/zinc/82/61/32/546826132.db2.gz HASGLHSHBCNOMH-VHSXEESVSA-N -1 0 347.399 2.774 10 0 EFAERM CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656519006 546827003 /nfs/dbraw/zinc/82/70/03/546827003.db2.gz YHMWNNIKKIKFFP-DGCLKSJQSA-N -1 0 349.811 2.637 10 0 EFAERM C[C@H]1CCN(S(=O)(=O)CC2(C)CCCCC2)C[C@H]1CC(=O)[O-] ZINC000656521604 546827523 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CCOc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845507310 1279690171 /nfs/dbraw/zinc/69/01/71/1279690171.db2.gz ZVWPBXMYUBKIBO-UONOGXRCSA-N -1 0 337.441 2.717 10 0 EFAERM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CCCC2)sc1C ZINC000845506255 1279690654 /nfs/dbraw/zinc/69/06/54/1279690654.db2.gz RGXOJGPRUKBTOE-QWHCGFSZSA-N -1 0 327.471 2.996 10 0 EFAERM CCn1c(=O)c2ccccc2nc1-n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871941653 1287371655 /nfs/dbraw/zinc/37/16/55/1287371655.db2.gz CSELYBYFVGGTQR-ZDUSSCGKSA-N -1 0 338.411 2.945 10 0 EFAERM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CCCC2)c(F)c1 ZINC000845529873 1279704568 /nfs/dbraw/zinc/70/45/68/1279704568.db2.gz BFHYFCUIQVOQQT-HUUCEWRRSA-N -1 0 339.432 2.906 10 0 EFAERM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CCCC2)c(C)c1 ZINC000845559084 1279712062 /nfs/dbraw/zinc/71/20/62/1279712062.db2.gz SJFKPKIVWWJVPJ-GJZGRUSLSA-N -1 0 337.441 2.635 10 0 EFAERM O=C(/C=C/C1CCCCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000845550414 1279718910 /nfs/dbraw/zinc/71/89/10/1279718910.db2.gz HDTRCROEVZRUAP-JXMROGBWSA-N -1 0 349.452 2.953 10 0 EFAERM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccco2)cc1Cl ZINC000747128686 1279719428 /nfs/dbraw/zinc/71/94/28/1279719428.db2.gz NUQCNHQZJKLTLK-SNVBAGLBSA-N -1 0 327.789 2.850 10 0 EFAERM COc1csc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000747129730 1279720978 /nfs/dbraw/zinc/72/09/78/1279720978.db2.gz XYRYWTQWGPHKSW-UHFFFAOYSA-N -1 0 345.829 2.837 10 0 EFAERM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CCCC2)c(F)c1 ZINC000845612559 1279757791 /nfs/dbraw/zinc/75/77/91/1279757791.db2.gz XRRWLFOWVRXURI-NEPJUHHUSA-N -1 0 343.395 2.904 10 0 EFAERM O=C([N-]S(=O)(=O)Cc1cccc(F)c1F)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845612514 1279758015 /nfs/dbraw/zinc/75/80/15/1279758015.db2.gz XPVWHMCTJRFLSU-CHWSQXEVSA-N -1 0 343.395 2.737 10 0 EFAERM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(F)(F)F)CC2)cc1Cl ZINC000747132200 1279769267 /nfs/dbraw/zinc/76/92/67/1279769267.db2.gz YDDUXZSSRNVZHO-UHFFFAOYSA-N -1 0 341.738 2.796 10 0 EFAERM C[C@H]1CCc2[n-]n(-c3ccc(S(=O)(=O)C(F)F)cc3)c(=O)c2C1 ZINC000871949519 1287374087 /nfs/dbraw/zinc/37/40/87/1287374087.db2.gz CXOAIBUHSDBGQT-CABZTGNLSA-N -1 0 342.367 2.822 10 0 EFAERM O=C(CC1CCCC1)[N-]S(=O)(=O)Cc1cccc2ncccc12 ZINC000845714141 1279792206 /nfs/dbraw/zinc/79/22/06/1279792206.db2.gz DCOUFDDZVSDGKS-UHFFFAOYSA-N -1 0 332.425 2.761 10 0 EFAERM CC1(C)CC(C(=O)[N-]S(=O)(=O)Cc2cccc3ncccc23)C1 ZINC000845715505 1279793093 /nfs/dbraw/zinc/79/30/93/1279793093.db2.gz NDFXPLQWQGWWAK-UHFFFAOYSA-N -1 0 332.425 2.617 10 0 EFAERM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc2ncccc12 ZINC000845715514 1279793788 /nfs/dbraw/zinc/79/37/88/1279793788.db2.gz NKUIUCQNYJZTLV-IUODEOHRSA-N -1 0 332.425 2.617 10 0 EFAERM O=C([N-]S(=O)(=O)Cc1cccc2ncccc12)[C@@H]1CC=CCC1 ZINC000845716022 1279793909 /nfs/dbraw/zinc/79/39/09/1279793909.db2.gz QVGURBHJZCZFAD-CYBMUJFWSA-N -1 0 330.409 2.537 10 0 EFAERM C[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc2ncccc12)C1CC1 ZINC000845717742 1279794970 /nfs/dbraw/zinc/79/49/70/1279794970.db2.gz LZALHSFQJZGGOW-GFCCVEGCSA-N -1 0 332.425 2.617 10 0 EFAERM CCC[C@@H](NC(=O)c1ccc(-c2cccc(C)c2)n1C)c1nnn[n-]1 ZINC000845727681 1279800625 /nfs/dbraw/zinc/80/06/25/1279800625.db2.gz DXDANDJFDAXEOG-CQSZACIVSA-N -1 0 338.415 2.785 10 0 EFAERM COc1ccc2c(c1)-c1[n-]n([C@H]3CCOC4(CCCC4)C3)c(=O)c1C2 ZINC000871964361 1287376848 /nfs/dbraw/zinc/37/68/48/1287376848.db2.gz PRXRDVBJGWFJAS-WMLDXEAASA-N -1 0 340.423 2.906 10 0 EFAERM Cc1sc2ncnc(-n3[n-]c(C(F)(F)F)c(F)c3=O)c2c1C ZINC000871941338 1287371979 /nfs/dbraw/zinc/37/19/79/1287371979.db2.gz NZOJGQCKEASYRF-SSDOTTSWSA-N -1 0 332.282 2.911 10 0 EFAERM CCOC(=O)CCc1c(C)[n-]n([C@@H]2CCOC3(CCCC3)C2)c1=O ZINC000871964798 1287378123 /nfs/dbraw/zinc/37/81/23/1287378123.db2.gz ZUZWTQNDBKBHJC-CABCVRRESA-N -1 0 336.432 2.656 10 0 EFAERM CCC(F)(F)CNS(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000871995486 1287389260 /nfs/dbraw/zinc/38/92/60/1287389260.db2.gz ZCWZCJVMXMEZQO-UHFFFAOYSA-N -1 0 349.399 2.563 10 0 EFAERM CCc1ccc(S(=O)(=O)NCC[C@]2(C)CC2(F)F)cc1C(=O)[O-] ZINC000871983789 1287384984 /nfs/dbraw/zinc/38/49/84/1287384984.db2.gz MJDKPOSJHPFFGE-CQSZACIVSA-N -1 0 347.383 2.661 10 0 EFAERM Cc1ccc(S(=O)(=O)NCC[C@@]2(C)CC2(F)F)c(C)c1C(=O)[O-] ZINC000871984387 1287384998 /nfs/dbraw/zinc/38/49/98/1287384998.db2.gz WYIOMZOUVLWSDU-AWEZNQCLSA-N -1 0 347.383 2.715 10 0 EFAERM Cc1cc(C)c(S(=O)(=O)N[C@](C)(CC(=O)[O-])C2CC2)c(C)c1 ZINC000871996189 1287389389 /nfs/dbraw/zinc/38/93/89/1287389389.db2.gz GAINAINDGZNMQU-MRXNPFEDSA-N -1 0 325.430 2.534 10 0 EFAERM Cc1ccc([C@@H](NS(=O)(=O)c2occc2C(=O)[O-])C2CC2)cc1 ZINC000871993829 1287388302 /nfs/dbraw/zinc/38/83/02/1287388302.db2.gz RJHROULTKLJZEX-CQSZACIVSA-N -1 0 335.381 2.716 10 0 EFAERM Cc1cc(S(=O)(=O)N2CC3CC2(C)C3)cc(C(=O)[O-])c1Cl ZINC000871991081 1287388346 /nfs/dbraw/zinc/38/83/46/1287388346.db2.gz ONCKKFNERXFRPU-UHFFFAOYSA-N -1 0 329.805 2.520 10 0 EFAERM CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992591 1287388657 /nfs/dbraw/zinc/38/86/57/1287388657.db2.gz AVPUUODOMOHXGN-CQSZACIVSA-N -1 0 335.381 2.676 10 0 EFAERM Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872002245 1287390439 /nfs/dbraw/zinc/39/04/39/1287390439.db2.gz WKFRICFUYWPEFM-DZGCQCFKSA-N -1 0 343.832 2.666 10 0 EFAERM Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c(C(C)(C)C)n1 ZINC000872002279 1287390494 /nfs/dbraw/zinc/39/04/94/1287390494.db2.gz JDVKPGSSVARGHK-UHFFFAOYSA-N -1 0 328.825 2.567 10 0 EFAERM CC(C)n1cnc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)n1 ZINC000872006542 1287393862 /nfs/dbraw/zinc/39/38/62/1287393862.db2.gz IZTQGEPDIHLMHR-UHFFFAOYSA-N -1 0 334.323 2.737 10 0 EFAERM COc1c(F)cccc1S(=O)(=O)[N-]c1cc(CC(C)C)[nH]n1 ZINC000872003622 1287391483 /nfs/dbraw/zinc/39/14/83/1287391483.db2.gz WRLCVLXUGUIRCU-UHFFFAOYSA-N -1 0 327.381 2.557 10 0 EFAERM COc1c(F)cccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000872003615 1287391880 /nfs/dbraw/zinc/39/18/80/1287391880.db2.gz WFFVWLQJNSPJLG-UHFFFAOYSA-N -1 0 345.421 2.784 10 0 EFAERM O=C([O-])CNC(=O)c1ccc(NC(=O)/C=C/C2CCCCCC2)cc1 ZINC000846114544 1280023267 /nfs/dbraw/zinc/02/32/67/1280023267.db2.gz NFMYABWDFBSXER-KPKJPENVSA-N -1 0 344.411 2.966 10 0 EFAERM O=C([O-])c1cn([C@H]2CCCN(C(=O)/C=C/C3CCCCCC3)C2)nn1 ZINC000846121799 1280026296 /nfs/dbraw/zinc/02/62/96/1280026296.db2.gz CDDFFSNCWDQJEV-FEAKQIBJSA-N -1 0 346.431 2.666 10 0 EFAERM O=C([O-])c1cn([C@H]2CCCN(C(=O)/C=C\C3CCCCCC3)C2)nn1 ZINC000846121805 1280026614 /nfs/dbraw/zinc/02/66/14/1280026614.db2.gz CDDFFSNCWDQJEV-KVPUOBJLSA-N -1 0 346.431 2.666 10 0 EFAERM CC(C)(C)C[C@@H](NC(=O)c1scnc1Br)C(=O)[O-] ZINC000846123531 1280028233 /nfs/dbraw/zinc/02/82/33/1280028233.db2.gz ZESQIJFHVHNBIW-ZCFIWIBFSA-N -1 0 335.223 2.525 10 0 EFAERM COC1(C[C@H](NC(=O)/C=C(/C)c2cccc(F)c2)C(=O)[O-])CCC1 ZINC000846128394 1280029267 /nfs/dbraw/zinc/02/92/67/1280029267.db2.gz IDFYHCCCAWKPNO-LMRWQKIVSA-N -1 0 335.375 2.758 10 0 EFAERM COc1c(F)cccc1S(=O)(=O)[N-]c1n[nH]c(C(C)C)c1C ZINC000872006746 1287393961 /nfs/dbraw/zinc/39/39/61/1287393961.db2.gz SXINRDYEBPNTKW-UHFFFAOYSA-N -1 0 327.381 2.790 10 0 EFAERM Cc1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)sn1 ZINC000872005523 1287394137 /nfs/dbraw/zinc/39/41/37/1287394137.db2.gz KYUSNGJLWUDGLV-UHFFFAOYSA-N -1 0 329.350 2.728 10 0 EFAERM CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000846193469 1280066455 /nfs/dbraw/zinc/06/64/55/1280066455.db2.gz LYOIOOPWYPJCFC-YVUNYUFWSA-N -1 0 344.839 2.965 10 0 EFAERM Cc1ccc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)c(Cl)n1 ZINC000872007018 1287395240 /nfs/dbraw/zinc/39/52/40/1287395240.db2.gz GKXVUYFBSIYIGC-UHFFFAOYSA-N -1 0 340.836 2.841 10 0 EFAERM Cn1nc2c(c1[N-]S(=O)(=O)c1cccc3ncccc31)CCCC2 ZINC000872007711 1287395435 /nfs/dbraw/zinc/39/54/35/1287395435.db2.gz KRECTPHVARNDMW-UHFFFAOYSA-N -1 0 342.424 2.648 10 0 EFAERM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc2c(n1)CCCC2 ZINC000872010660 1287397090 /nfs/dbraw/zinc/39/70/90/1287397090.db2.gz BOJCMWGGTBHQEC-UHFFFAOYSA-N -1 0 348.472 2.620 10 0 EFAERM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc3c(n2)CCCC3)c1 ZINC000872010690 1287397257 /nfs/dbraw/zinc/39/72/57/1287397257.db2.gz DBTBPMWWDKVHTB-UHFFFAOYSA-N -1 0 334.445 2.614 10 0 EFAERM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cncc(C(F)F)c3)cn21 ZINC000872009978 1287397356 /nfs/dbraw/zinc/39/73/56/1287397356.db2.gz CUBVVZBETMUEBK-SECBINFHSA-N -1 0 342.371 2.914 10 0 EFAERM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCC12CCCC2 ZINC000846305200 1280109641 /nfs/dbraw/zinc/10/96/41/1280109641.db2.gz KVSWVNKVXFNEQH-UHFFFAOYSA-N -1 0 343.452 2.620 10 0 EFAERM COCCc1ccc(S(=O)(=O)[N-]c2ccc3c(n2)CCCC3)cc1 ZINC000872010726 1287398228 /nfs/dbraw/zinc/39/82/28/1287398228.db2.gz FKTWRYNGNPGAPC-UHFFFAOYSA-N -1 0 346.452 2.950 10 0 EFAERM C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)[C@](C)(O)c1ccccc1 ZINC000846401007 1280144448 /nfs/dbraw/zinc/14/44/48/1280144448.db2.gz BACNUDJDBMEFIC-CLAHSXSESA-N -1 0 326.805 2.528 10 0 EFAERM CSc1cccnc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC001144821060 1280169255 /nfs/dbraw/zinc/16/92/55/1280169255.db2.gz 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338.351 2.869 10 0 EFAERM CCc1nccn1[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000909799783 727375790 /nfs/dbraw/zinc/37/57/90/727375790.db2.gz GKZUWQQOLQBRSK-UGSOOPFHSA-N -1 0 343.427 2.956 10 0 EFAERM O=C([O-])[C@@H](CC(F)F)NC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000909775646 727376212 /nfs/dbraw/zinc/37/62/12/727376212.db2.gz PROGTPDBGDFBPZ-TZMCWYRMSA-N -1 0 326.343 2.580 10 0 EFAERM Cc1nocc1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909787700 727378153 /nfs/dbraw/zinc/37/81/53/727378153.db2.gz DRAPKKIRXPTELL-XJKSGUPXSA-N -1 0 328.368 2.676 10 0 EFAERM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NC(=O)Cc1ccoc1 ZINC000909788211 727378160 /nfs/dbraw/zinc/37/81/60/727378160.db2.gz GROPUICWDQTFQI-WBVHZDCISA-N -1 0 327.380 2.902 10 0 EFAERM Cc1nc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c(C)o1 ZINC000909791833 727378831 /nfs/dbraw/zinc/37/88/31/727378831.db2.gz VTLYDVXUKZROAP-HOCLYGCPSA-N -1 0 342.395 2.985 10 0 EFAERM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccsn1 ZINC000909792403 727379085 /nfs/dbraw/zinc/37/90/85/727379085.db2.gz XMUHMBWBKKXISG-SWLSCSKDSA-N -1 0 330.409 2.836 10 0 EFAERM Cc1cccc([C@H](NC(=O)[C@@H]2C[C@@]2(C)Br)C(=O)[O-])c1C ZINC000909803697 727381109 /nfs/dbraw/zinc/38/11/09/727381109.db2.gz RJSRMWKADQJDIU-SLEUVZQESA-N -1 0 340.217 2.719 10 0 EFAERM Cc1cccc([C@@H](NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C(=O)[O-])c1C ZINC000909803861 727381175 /nfs/dbraw/zinc/38/11/75/727381175.db2.gz RZZZIMKGQWDVSI-APPDUMDISA-N -1 0 341.411 2.638 10 0 EFAERM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)ccc1Br ZINC000909804114 727381295 /nfs/dbraw/zinc/38/12/95/727381295.db2.gz CCQGRQRXTNPURH-SKDRFNHKSA-N -1 0 340.217 2.947 10 0 EFAERM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1Br ZINC000909804112 727381311 /nfs/dbraw/zinc/38/13/11/727381311.db2.gz CCQGRQRXTNPURH-CABZTGNLSA-N -1 0 340.217 2.947 10 0 EFAERM CCCc1nc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])co1 ZINC000909814764 727382832 /nfs/dbraw/zinc/38/28/32/727382832.db2.gz CACQSSRQHJFCNR-LBPRGKRZSA-N -1 0 336.775 2.706 10 0 EFAERM O=C([O-])[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1cc(C2CC2)no1 ZINC000909815706 727383085 /nfs/dbraw/zinc/38/30/85/727383085.db2.gz JJBMNPLLIRBJMR-HNNXBMFYSA-N -1 0 348.786 2.560 10 0 EFAERM O=C([O-])[C@H](Cc1cccc(Cl)c1)NC(=O)c1coc(C2CC2)n1 ZINC000909816726 727383270 /nfs/dbraw/zinc/38/32/70/727383270.db2.gz UJEBTSRQHJUOQK-LBPRGKRZSA-N -1 0 334.759 2.631 10 0 EFAERM C[C@H](NC(=O)C[C@H]1CCC2(CCC2)O1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909818377 727383569 /nfs/dbraw/zinc/38/35/69/727383569.db2.gz GVPADPZFAQQAKC-UAGQMJEPSA-N -1 0 345.439 2.926 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)C=C2CCSCC2)CC1 ZINC000909818413 727383617 /nfs/dbraw/zinc/38/36/17/727383617.db2.gz KMSXILKVWUILPV-UHFFFAOYSA-N -1 0 349.456 2.507 10 0 EFAERM C[C@H](NC(=O)c1[nH]ccc1C1CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909819563 727383743 /nfs/dbraw/zinc/38/37/43/727383743.db2.gz JTZKGEZQMGNSDY-BLLLJJGKSA-N -1 0 326.396 2.954 10 0 EFAERM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000909820548 727384020 /nfs/dbraw/zinc/38/40/20/727384020.db2.gz QMAZSMDUMATGRS-ZDUSSCGKSA-N -1 0 333.432 2.880 10 0 EFAERM Cc1[nH]nc(C(C)C)c1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909823870 727384374 /nfs/dbraw/zinc/38/43/74/727384374.db2.gz QAFHGNBFENMPSA-DOMZBBRYSA-N -1 0 343.427 2.903 10 0 EFAERM COc1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cc(Cl)c1O ZINC000909853413 727385708 /nfs/dbraw/zinc/38/57/08/727385708.db2.gz FTALAKPBHHEMFN-NSHDSACASA-N -1 0 329.780 2.626 10 0 EFAERM CCOc1cc(/C=C\C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])ccc1O ZINC000909854173 727385884 /nfs/dbraw/zinc/38/58/84/727385884.db2.gz KFYQZEGYTZVCAR-LEJCZOIISA-N -1 0 335.400 2.762 10 0 EFAERM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1c(O)cnc2c(F)cccc21 ZINC000909856419 727386015 /nfs/dbraw/zinc/38/60/15/727386015.db2.gz VKDBKWWJTIPJFP-LBPRGKRZSA-N -1 0 334.347 2.651 10 0 EFAERM CC[C@@](CNC(=O)c1onc2c1CCCC2)(C(=O)[O-])c1ccccc1 ZINC000909846530 727389926 /nfs/dbraw/zinc/38/99/26/727389926.db2.gz SHDDTHOHQSACBX-IBGZPJMESA-N -1 0 342.395 2.716 10 0 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320120644 /nfs/dbraw/zinc/12/06/44/320120644.db2.gz DEJPSUOGZNBPMY-MRXNPFEDSA-N -1 0 342.395 2.895 10 0 EFAERM Cc1ccc(CNC(=O)C[C@@H](C)CC(=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC000577865499 320153012 /nfs/dbraw/zinc/15/30/12/320153012.db2.gz CNMMOPALKSMMNV-HUUCEWRRSA-N -1 0 349.427 2.527 10 0 EFAERM COc1ccc(NC(=O)C(C)(C)C(=O)[O-])cc1OCc1cccnc1 ZINC000577871570 320153284 /nfs/dbraw/zinc/15/32/84/320153284.db2.gz JFZYRUXXSAXGOO-UHFFFAOYSA-N -1 0 344.367 2.719 10 0 EFAERM C[C@@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2F)C[C@@H]1C(=O)[O-] ZINC000578067301 320170066 /nfs/dbraw/zinc/17/00/66/320170066.db2.gz GICYLOPZSLRZNB-ABAIWWIYSA-N -1 0 334.391 2.955 10 0 EFAERM C[C@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2F)C[C@@H]1C(=O)[O-] ZINC000578067303 320170132 /nfs/dbraw/zinc/17/01/32/320170132.db2.gz GICYLOPZSLRZNB-NHYWBVRUSA-N -1 0 334.391 2.955 10 0 EFAERM CC(C)CCOc1cccc(NC(=O)C2(C(=O)[O-])CCOCC2)c1 ZINC000578117175 320174637 /nfs/dbraw/zinc/17/46/37/320174637.db2.gz ZHZDIFCDAASADG-UHFFFAOYSA-N -1 0 335.400 2.931 10 0 EFAERM CCc1ncc(CNC(=O)N=c2nc(-c3sccc3C)[n-]s2)o1 ZINC000578220121 320184790 /nfs/dbraw/zinc/18/47/90/320184790.db2.gz SUIFIKGZAKAJPC-UHFFFAOYSA-N -1 0 349.441 2.869 10 0 EFAERM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCCC3=O)C[C@H]1C(=O)[O-] ZINC000578237570 320187721 /nfs/dbraw/zinc/18/77/21/320187721.db2.gz TUKMKOCBTIJJNY-XHDPSFHLSA-N -1 0 330.384 2.780 10 0 EFAERM C[C@@H]1CCN(C(=O)c2ccc(Cl)c(N)c2Cl)C[C@H]1C(=O)[O-] ZINC000578323524 320195226 /nfs/dbraw/zinc/19/52/26/320195226.db2.gz LSYGZZFTZQLASV-VXNVDRBHSA-N -1 0 331.199 2.758 10 0 EFAERM Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])Cc2cccc(C)c2)o1 ZINC000578512089 320213184 /nfs/dbraw/zinc/21/31/84/320213184.db2.gz OWNNVNAEXZFAKK-UHFFFAOYSA-N -1 0 337.397 2.562 10 0 EFAERM CO[C@H]1CCN(C(=O)COc2cc(C(C)C)ccc2C)[C@@H](C(=O)[O-])C1 ZINC000578524421 320214713 /nfs/dbraw/zinc/21/47/13/320214713.db2.gz CYELDFJZLLXHIR-JKSUJKDBSA-N -1 0 349.427 2.588 10 0 EFAERM CCOc1cccc(CCNC(=O)N(C)C2(C(=O)[O-])CCCC2)c1 ZINC000578596963 320219556 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/nfs/dbraw/zinc/27/92/27/522279227.db2.gz MLNHSHFRKGATON-HUUCEWRRSA-N -1 0 338.473 2.903 10 0 EFAERM CC[C@@H](C)[C@H](NC(=O)COc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000262520197 522373388 /nfs/dbraw/zinc/37/33/88/522373388.db2.gz MCBOTCUCXKIVIX-RNCFNFMXSA-N -1 0 333.306 2.700 10 0 EFAERM CC[C@H](NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1c(C)noc1C ZINC000263309282 522432395 /nfs/dbraw/zinc/43/23/95/522432395.db2.gz YHUMWZOGOBFDDB-GDZNZVCISA-N -1 0 335.404 2.639 10 0 EFAERM CCc1noc(CC)c1CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000237077278 522883896 /nfs/dbraw/zinc/88/38/96/522883896.db2.gz XTZYBXAVCOPZIS-INIZCTEOSA-N -1 0 344.411 2.983 10 0 EFAERM CC[C@H](Sc1ccccc1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000263040646 522922456 /nfs/dbraw/zinc/92/24/56/522922456.db2.gz DAAIIMZGIFZDLR-SWLSCSKDSA-N -1 0 325.455 2.634 10 0 EFAERM COCc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(OC)c2)o1 ZINC000263099558 522967438 /nfs/dbraw/zinc/96/74/38/522967438.db2.gz FIPHCHLDTNUBRY-GOSISDBHSA-N -1 0 347.367 2.555 10 0 EFAERM CCc1oc(C(=O)NCCc2cc(OC)ccc2OC)cc1C(=O)[O-] ZINC000261603893 522986270 /nfs/dbraw/zinc/98/62/70/522986270.db2.gz CTBQWJKQVZYPEI-UHFFFAOYSA-N -1 0 347.367 2.530 10 0 EFAERM COCCC1(C(=O)N2C[C@H](C(=O)[O-])C[C@@H](c3ccccc3)C2)CCC1 ZINC000180338121 523006817 /nfs/dbraw/zinc/00/68/17/523006817.db2.gz QEAATTBACQMFTE-IAGOWNOFSA-N -1 0 345.439 2.910 10 0 EFAERM COCCC1(C)CN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000262949056 523022355 /nfs/dbraw/zinc/02/23/55/523022355.db2.gz APUWZYTXZGAGIJ-INIZCTEOSA-N -1 0 348.443 2.531 10 0 EFAERM CCc1ocnc1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262980318 523027488 /nfs/dbraw/zinc/02/74/88/523027488.db2.gz JKNVJGGPMVJTNU-DZGCQCFKSA-N -1 0 342.395 2.930 10 0 EFAERM CCc1ocnc1C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262980320 523027619 /nfs/dbraw/zinc/02/76/19/523027619.db2.gz JKNVJGGPMVJTNU-HIFRSBDPSA-N -1 0 342.395 2.930 10 0 EFAERM COCc1ccsc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262759381 523133913 /nfs/dbraw/zinc/13/39/13/523133913.db2.gz KKQKPTGOPWXTFL-CQSZACIVSA-N -1 0 331.393 2.719 10 0 EFAERM COCc1csc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])n1 ZINC000084403696 523160272 /nfs/dbraw/zinc/16/02/72/523160272.db2.gz JUSMWTUINHYGBQ-UHFFFAOYSA-N -1 0 348.359 2.572 10 0 EFAERM COCc1nc(C)c(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])s1 ZINC000262960822 523185705 /nfs/dbraw/zinc/18/57/05/523185705.db2.gz OBIPPROAZNLCPP-RYUDHWBXSA-N -1 0 340.445 2.751 10 0 EFAERM CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)CC1 ZINC000263201221 523189934 /nfs/dbraw/zinc/18/99/34/523189934.db2.gz NSKASDFRBJNUCZ-HJWJTTGWSA-N -1 0 337.460 2.931 10 0 EFAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000262123101 523748636 /nfs/dbraw/zinc/74/86/36/523748636.db2.gz JADDSEHGEKUEQN-CJNGLKHVSA-N -1 0 344.411 2.780 10 0 EFAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000263039753 523752457 /nfs/dbraw/zinc/75/24/57/523752457.db2.gz NGDLFHLLCAOKSM-WDEREUQCSA-N -1 0 346.210 2.627 10 0 EFAERM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000263073506 523752929 /nfs/dbraw/zinc/75/29/29/523752929.db2.gz PINGONMKVYFGSV-NWDGAFQWSA-N -1 0 335.331 2.585 10 0 EFAERM CCc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)oc1CC ZINC000262691629 523761156 /nfs/dbraw/zinc/76/11/56/523761156.db2.gz ALOQXWQJNYTWSY-NXEZZACHSA-N -1 0 333.306 2.740 10 0 EFAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cc(SC)ccc2Cl)C1 ZINC000262913012 523767961 /nfs/dbraw/zinc/76/79/61/523767961.db2.gz DSXPESFIVBIPFL-NXEZZACHSA-N -1 0 343.832 2.766 10 0 EFAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000262895992 523768377 /nfs/dbraw/zinc/76/83/77/523768377.db2.gz CPGOAUDGTXHHDW-ARFHVFGLSA-N -1 0 331.412 2.587 10 0 EFAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC000263125427 523768456 /nfs/dbraw/zinc/76/84/56/523768456.db2.gz SLOLWRWXGNNONP-OPRDCNLKSA-N -1 0 331.821 2.596 10 0 EFAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2oc3c(cccc3C)c2C)C1 ZINC000263096957 523768571 /nfs/dbraw/zinc/76/85/71/523768571.db2.gz QWLDJJDTDXQFCS-CHWSQXEVSA-N -1 0 331.368 2.754 10 0 EFAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000262902747 523769075 /nfs/dbraw/zinc/76/90/75/523769075.db2.gz DALPTIXABWSSOP-QZTJIDSGSA-N -1 0 341.407 2.863 10 0 EFAERM COc1ccc(C)cc1[C@@H](C)NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263038750 523851627 /nfs/dbraw/zinc/85/16/27/523851627.db2.gz QAPLRTQAXYECQR-BIENJYKASA-N -1 0 346.427 2.961 10 0 EFAERM CCc1ccc(C(=O)CCC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1 ZINC000262801342 523878229 /nfs/dbraw/zinc/87/82/29/523878229.db2.gz ALSQSRRTPPLYDB-FCEWJHQRSA-N -1 0 343.423 2.924 10 0 EFAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)C/C=C/c2ccc(C(C)C)cc2)C1 ZINC000262981094 524011327 /nfs/dbraw/zinc/01/13/27/524011327.db2.gz RBVSRVKEYNZFJN-XLYSIVADSA-N -1 0 331.412 2.914 10 0 EFAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cccc(OCC=C(C)C)c2)C1 ZINC000263095360 524012067 /nfs/dbraw/zinc/01/20/67/524012067.db2.gz QTAZSGGCUDLASJ-RDJZCZTQSA-N -1 0 347.411 2.736 10 0 EFAERM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2csc3cc(C)ccc23)C1 ZINC000263001757 524012476 /nfs/dbraw/zinc/01/24/76/524012476.db2.gz KVYBFSYJQCHTSQ-RYUDHWBXSA-N -1 0 333.409 2.914 10 0 EFAERM CCc1ccc(S(=O)(=O)[N-]c2cccnc2OCCOC)s1 ZINC000076195182 524018064 /nfs/dbraw/zinc/01/80/64/524018064.db2.gz YVRVPLMZLQXUDF-UHFFFAOYSA-N -1 0 342.442 2.532 10 0 EFAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000263195013 524018241 /nfs/dbraw/zinc/01/82/41/524018241.db2.gz YBAIAVDQBNPZDQ-ZJUUUORDSA-N -1 0 332.183 2.698 10 0 EFAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccccc2SC(C)C)C1 ZINC000262989618 524018298 /nfs/dbraw/zinc/01/82/98/524018298.db2.gz KAKIXWPZQDKEPR-OLZOCXBDSA-N -1 0 337.441 2.891 10 0 EFAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000263108803 524018364 /nfs/dbraw/zinc/01/83/64/524018364.db2.gz ROKGUGKGMNPTND-ZJUUUORDSA-N -1 0 346.210 2.627 10 0 EFAERM CCc1ccc([C@H](C)CC(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)[O-])cc1 ZINC000263022070 524043013 /nfs/dbraw/zinc/04/30/13/524043013.db2.gz MFXCRFONLPLZTL-XYPHTWIQSA-N -1 0 333.428 2.833 10 0 EFAERM CCc1cccc(CC(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000263131826 524067015 /nfs/dbraw/zinc/06/70/15/524067015.db2.gz LRDAQPJSNMQVRP-SFHVURJKSA-N -1 0 325.408 2.851 10 0 EFAERM COc1ccc(C[C@H](C)CN(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263200043 524149142 /nfs/dbraw/zinc/14/91/42/524149142.db2.gz JSVSRPXGVAMUML-IMJJTQAJSA-N -1 0 333.428 2.833 10 0 EFAERM COc1cccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000108062336 524191872 /nfs/dbraw/zinc/19/18/72/524191872.db2.gz NCUTWIAFKJURRS-MYODQAERSA-N -1 0 335.400 2.819 10 0 EFAERM C[C@@H](C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1F ZINC000237474028 524200799 /nfs/dbraw/zinc/20/07/99/524200799.db2.gz HTMDYJVOWCKJIH-HIFRSBDPSA-N -1 0 329.371 2.989 10 0 EFAERM C[C@@H](C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)C1CCOCC1 ZINC000263228783 524279230 /nfs/dbraw/zinc/27/92/30/524279230.db2.gz BCQNCNXDPXQBDO-GFCCVEGCSA-N -1 0 343.383 2.572 10 0 EFAERM C[C@H](CN(C)C(=O)N[C@@H](c1ccccc1)c1ccccn1)C(=O)[O-] ZINC000263062865 524283142 /nfs/dbraw/zinc/28/31/42/524283142.db2.gz SFGOUMPBIHMJCF-CJNGLKHVSA-N -1 0 327.384 2.533 10 0 EFAERM C[C@@H](C(=O)[O-])N(CC(=O)Nc1ccccc1SC(F)F)C1CC1 ZINC000263148187 524294555 /nfs/dbraw/zinc/29/45/55/524294555.db2.gz PBVGTJFKZALXOX-VIFPVBQESA-N -1 0 344.383 2.877 10 0 EFAERM C[C@@H](C1CC1)n1nccc1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263024514 524327998 /nfs/dbraw/zinc/32/79/98/524327998.db2.gz JPCSJDZPFPYFOU-PLQHRBFRSA-N -1 0 332.404 2.573 10 0 EFAERM COc1ccccc1CC1CCN(C(=O)[C@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC000261996803 524389632 /nfs/dbraw/zinc/38/96/32/524389632.db2.gz DFAZAOLPJRDXBE-HOTGVXAUSA-N -1 0 331.412 2.587 10 0 EFAERM C[C@@H](CCC(=O)[O-])NC(=O)c1cccc(OCc2cscn2)c1 ZINC000237535950 524443308 /nfs/dbraw/zinc/44/33/08/524443308.db2.gz WURPVNCGFJEQMH-NSHDSACASA-N -1 0 334.397 2.705 10 0 EFAERM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccc(Br)s1 ZINC000263075288 524565030 /nfs/dbraw/zinc/56/50/30/524565030.db2.gz AVTGWFGOUMYTMF-RKDXNWHRSA-N -1 0 346.246 2.765 10 0 EFAERM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000263254186 524566008 /nfs/dbraw/zinc/56/60/08/524566008.db2.gz TXPFZTSOLSPYIW-TZMCWYRMSA-N -1 0 340.379 2.780 10 0 EFAERM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000262929010 524589156 /nfs/dbraw/zinc/58/91/56/524589156.db2.gz GGPBYSOCRJLPLB-KGLIPLIRSA-N -1 0 348.443 2.868 10 0 EFAERM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc(Br)s1 ZINC000263075282 524642047 /nfs/dbraw/zinc/64/20/47/524642047.db2.gz AVTGWFGOUMYTMF-BDAKNGLRSA-N -1 0 346.246 2.765 10 0 EFAERM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000263246459 524642216 /nfs/dbraw/zinc/64/22/16/524642216.db2.gz SGZJBKMBOUNMHJ-PWSUYJOCSA-N -1 0 339.338 2.639 10 0 EFAERM C[C@H](Cc1ccccc1)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000112002843 524719567 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338.282 2.704 10 0 EFAERM O=S(=O)(CC1CCCC1)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655661485 546519785 /nfs/dbraw/zinc/51/97/85/546519785.db2.gz FEMHTIZJYZXEOR-NEPJUHHUSA-N -1 0 329.384 2.596 10 0 EFAERM O=S(=O)([N-]C[C@H]1CCC2(CCCC2)O1)c1c(F)cc(F)cc1F ZINC000655674627 546527809 /nfs/dbraw/zinc/52/78/09/546527809.db2.gz YDTJZASIMGCRAP-LLVKDONJSA-N -1 0 349.374 2.874 10 0 EFAERM CO[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655861287 546614639 /nfs/dbraw/zinc/61/46/39/546614639.db2.gz OODTWLWDRUPFCD-ARLBYUKCSA-N -1 0 348.443 2.809 10 0 EFAERM C[C@@H](NC(=O)N[C@H]1CCc2ccccc2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655866876 546616610 /nfs/dbraw/zinc/61/66/10/546616610.db2.gz TULPCCRVIZVGDR-ISWURRPUSA-N -1 0 344.455 2.979 10 0 EFAERM CC(C)[C@@H](CNC(=O)NCc1ccc(-c2cccnc2)cc1)C(=O)[O-] ZINC000655868032 546617865 /nfs/dbraw/zinc/61/78/65/546617865.db2.gz BBYSVRPPSFGVSM-QGZVFWFLSA-N -1 0 341.411 2.905 10 0 EFAERM 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Cc1cc(NC(=O)c2cc(C(=O)OC(C)(C)C)[n-]n2)cc2n[nH]cc21 ZINC001567100983 1415933248 /nfs/dbraw/zinc/93/32/48/1415933248.db2.gz MMWIKCACJCHCJH-UHFFFAOYSA-N -1 0 341.371 2.802 10 0 EFAERM Cc1nnc(CNC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])s1 ZINC001567483561 1416155792 /nfs/dbraw/zinc/15/57/92/1416155792.db2.gz TXGXQNHPAVPDIX-UHFFFAOYSA-N -1 0 343.364 2.555 10 0 EFAERM Cc1ccccc1C[C@@H](CO)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001567632053 1416218214 /nfs/dbraw/zinc/21/82/14/1416218214.db2.gz AHVNZYMMNXFAAA-AWEZNQCLSA-N -1 0 342.420 2.758 10 0 EFAERM CCO[C@H]1[C@H](C(=O)[N-]OCc2ccc(F)cc2Br)[C@@H]1C ZINC001567676962 1416242090 /nfs/dbraw/zinc/24/20/90/1416242090.db2.gz SUQQQXNPGFLXPO-ZEGGKSINSA-N -1 0 346.196 2.807 10 0 EFAERM COc1ccc2c(c1)[nH]nc2NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001568344552 1416484377 /nfs/dbraw/zinc/48/43/77/1416484377.db2.gz MDJWZWJFORXRPQ-UHFFFAOYSA-N -1 0 325.324 2.650 10 0 EFAERM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2ccccc2)c(Cl)cc1F ZINC001645776683 1416556418 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ZINC001646113326 1416614690 /nfs/dbraw/zinc/61/46/90/1416614690.db2.gz UZMXQJHGNREDRM-DEOSSOPVSA-N -1 0 348.428 2.801 10 0 EFAERM C[C@@H](CN(C)C(=O)CCc1ccc(F)c2ccccc12)c1nn[n-]n1 ZINC000867380229 1429114386 /nfs/dbraw/zinc/11/43/86/1429114386.db2.gz DBUPEOXVLVBGIE-LBPRGKRZSA-N -1 0 341.390 2.687 10 0 EFAERM O=C([O-])C1(CC(=O)NCc2cccc(C(F)F)c2)CCOCC1 ZINC001646261276 1416639553 /nfs/dbraw/zinc/63/95/53/1416639553.db2.gz LWKGXHNGWMDIER-UHFFFAOYSA-N -1 0 327.327 2.512 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)CC2(C(F)(F)F)CC2)[C@@H]([C@@H]2CCCO2)C1 ZINC001646279703 1416642126 /nfs/dbraw/zinc/64/21/26/1416642126.db2.gz DOVJEYKLIYLJRS-UTUOFQBUSA-N -1 0 349.349 2.590 10 0 EFAERM COc1ccc2c(CC(=O)N[C@@H](C)c3nn(C)cc3[O-])coc2c1C ZINC001646317725 1416647690 /nfs/dbraw/zinc/64/76/90/1416647690.db2.gz KUFWKJKLJHTTGS-NSHDSACASA-N -1 0 343.383 2.609 10 0 EFAERM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc2cccnc21)c1cccs1 ZINC000122727585 1417062822 /nfs/dbraw/zinc/06/28/22/1417062822.db2.gz 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Cc1csc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000359560006 1423585421 /nfs/dbraw/zinc/58/54/21/1423585421.db2.gz QTFAPGKUKRKBMZ-UHFFFAOYSA-N -1 0 333.804 2.820 10 0 EFAERM CC(=Cc1cccc(Cl)c1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000759125118 1423610799 /nfs/dbraw/zinc/61/07/99/1423610799.db2.gz FLVDUKOFMQWTAM-PKNBQFBNSA-N -1 0 331.807 2.842 10 0 EFAERM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)cc1Cl ZINC000068973786 1423613161 /nfs/dbraw/zinc/61/31/61/1423613161.db2.gz JGZXAPODRKPLQO-UHFFFAOYSA-N -1 0 349.728 2.728 10 0 EFAERM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000184569515 1423631988 /nfs/dbraw/zinc/63/19/88/1423631988.db2.gz PRUVCNMGOKYHGQ-GDBMZVCRSA-N -1 0 343.431 2.714 10 0 EFAERM C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000109876176 1423719908 /nfs/dbraw/zinc/71/99/08/1423719908.db2.gz UKDWFDMXUQCAMC-GFCCVEGCSA-N -1 0 339.374 2.816 10 0 EFAERM CCC[C@H](NC(=O)CCCC(=O)c1ccc(C)cc1)c1nn[n-]n1 ZINC000184439971 1423727046 /nfs/dbraw/zinc/72/70/46/1423727046.db2.gz WHFKKVGZHHLLEY-AWEZNQCLSA-N -1 0 329.404 2.519 10 0 EFAERM O=C(Nc1nn[n-]n1)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182717747 1423743993 /nfs/dbraw/zinc/74/39/93/1423743993.db2.gz FWBMIQAKTVFARX-MWLCHTKSSA-N -1 0 342.186 2.613 10 0 EFAERM Cc1nc2ccccc2cc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120644513 1423754053 /nfs/dbraw/zinc/75/40/53/1423754053.db2.gz QGBXGZYGRPLFAJ-UHFFFAOYSA-N -1 0 344.378 2.899 10 0 EFAERM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120782106 1423778902 /nfs/dbraw/zinc/77/89/02/1423778902.db2.gz SXHOWEUVMPTDPM-LBPRGKRZSA-N -1 0 339.424 2.910 10 0 EFAERM C[C@]1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCCc2ccccc21 ZINC000110787239 1423960089 /nfs/dbraw/zinc/96/00/89/1423960089.db2.gz JTEKGVHWHVUFRL-FQEVSTJZSA-N -1 0 347.422 2.777 10 0 EFAERM CSc1nc([N-]c2nn[nH]n2)c(C#N)c(-c2cccc(Cl)c2)n1 ZINC000253465296 1423988989 /nfs/dbraw/zinc/98/89/89/1423988989.db2.gz BFQCIRGSSSUDMM-UHFFFAOYSA-N -1 0 344.791 2.647 10 0 EFAERM O=C(NCCSCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000014183448 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329.318 2.730 10 0 EFAERM CC[C@@H]1CN(C(=O)c2nc(C)oc2-c2ccccc2)C[C@@]1(F)C(=O)[O-] ZINC000910546982 727449818 /nfs/dbraw/zinc/44/98/18/727449818.db2.gz MPGDQCQHXITOSI-ACJLOTCBSA-N -1 0 346.358 2.925 10 0 EFAERM CC[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C[C@@]1(F)C(=O)[O-] ZINC000910547486 727449851 /nfs/dbraw/zinc/44/98/51/727449851.db2.gz YTOCITUVOCNMKL-MVWRLGRASA-N -1 0 349.402 2.850 10 0 EFAERM CC[C@@H]1CN(C(=O)[C@H](C)OCc2cccc(C)c2)C[C@@]1(F)C(=O)[O-] ZINC000910548003 727449872 /nfs/dbraw/zinc/44/98/72/727449872.db2.gz UUWQKCKMQYABEN-JOQOYGCGSA-N -1 0 337.391 2.561 10 0 EFAERM CC[C@@H]1CN(C(=O)c2ccc(F)c(SC)c2)C[C@@]1(F)C(=O)[O-] ZINC000910547263 727449878 /nfs/dbraw/zinc/44/98/78/727449878.db2.gz VOHVJTAFMVDIBI-BMIGLBTASA-N -1 0 329.368 2.823 10 0 EFAERM CC[C@@H](C)Oc1cc(C(=O)N2C[C@@H](CC)[C@](F)(C(=O)[O-])C2)ccn1 ZINC000910548123 727449889 /nfs/dbraw/zinc/44/98/89/727449889.db2.gz YIGXDPPHVWOXEU-NDGTYSDOSA-N -1 0 338.379 2.534 10 0 EFAERM 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2.891 10 0 EFAERM CC(C)CCC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000910576737 727451360 /nfs/dbraw/zinc/45/13/60/727451360.db2.gz WTQLJCSFZFLEHX-INIZCTEOSA-N -1 0 346.427 2.823 10 0 EFAERM CC(C)CCC[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2C)C(=O)[O-] ZINC000910577490 727451487 /nfs/dbraw/zinc/45/14/87/727451487.db2.gz CQTNFXDUZKNZKY-HNNXBMFYSA-N -1 0 346.427 2.605 10 0 EFAERM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cc2c(s1)CCCCC2 ZINC000910580915 727451738 /nfs/dbraw/zinc/45/17/38/727451738.db2.gz JBZVXRIDPKHUII-STQMWFEESA-N -1 0 337.441 2.769 10 0 EFAERM COCCC[C@H](C)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910581298 727451747 /nfs/dbraw/zinc/45/17/47/727451747.db2.gz PMVYRUGKTPLVQV-SWLSCSKDSA-N -1 0 333.384 2.607 10 0 EFAERM C[C@@H]1CCc2c(C(=O)N[C@@H](C[C@H]3CCCO3)C(=O)[O-])csc2C1 ZINC000910583138 727451951 /nfs/dbraw/zinc/45/19/51/727451951.db2.gz PQLKILBEFNHACF-GYSYKLTISA-N -1 0 337.441 2.625 10 0 EFAERM O=C(/C=C\C1CCOCC1)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910584748 727452094 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/nfs/dbraw/zinc/57/09/07/727570907.db2.gz PTGNKJALFQGWCU-LLVKDONJSA-N -1 0 339.779 2.542 10 0 EFAERM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC000911591551 727570987 /nfs/dbraw/zinc/57/09/87/727570987.db2.gz NWLNGQLPMWOCIQ-QCNOEVLYSA-N -1 0 337.338 2.588 10 0 EFAERM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000911593576 727571175 /nfs/dbraw/zinc/57/11/75/727571175.db2.gz BVVKGRKGMYQZRW-YMTOWFKASA-N -1 0 335.331 2.667 10 0 EFAERM CC(C)(CC(=O)N[C@](C)(CC(=O)[O-])c1ccncc1)C(F)(F)F ZINC000911618922 727572702 /nfs/dbraw/zinc/57/27/02/727572702.db2.gz IWLWTVPNZDQOPZ-CQSZACIVSA-N -1 0 332.322 2.866 10 0 EFAERM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000911628851 727574415 /nfs/dbraw/zinc/57/44/15/727574415.db2.gz MKGCQCAFEOXBID-HUUCEWRRSA-N -1 0 333.771 2.543 10 0 EFAERM Cc1nc(CC2CC2)sc1C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC000911662881 727575642 /nfs/dbraw/zinc/57/56/42/727575642.db2.gz KQNOFPDZRLWMMW-CYBMUJFWSA-N -1 0 345.424 2.745 10 0 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/nfs/dbraw/zinc/57/71/47/727577147.db2.gz ODWSIDOANVAUSS-RRFJBIMHSA-N -1 0 345.374 2.645 10 0 EFAERM CCCN1CCN(C(=O)c2csc(C(=O)[O-])n2)c2cc(F)ccc21 ZINC000911670279 727577376 /nfs/dbraw/zinc/57/73/76/727577376.db2.gz SIOVTNHMYRAHCU-UHFFFAOYSA-N -1 0 349.387 2.857 10 0 EFAERM O=C([O-])c1ccn(CCCC(=O)N2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000911650669 727578726 /nfs/dbraw/zinc/57/87/26/727578726.db2.gz QBIUEHOTLYCUAV-LLVKDONJSA-N -1 0 347.337 2.553 10 0 EFAERM CC(C)(C)[C@H]1CCN(C(=O)c2ccccc2CCC(=O)[O-])C[C@@H]1O ZINC000911652674 727578997 /nfs/dbraw/zinc/57/89/97/727578997.db2.gz CFDKXZLMPDQBEY-HOTGVXAUSA-N -1 0 333.428 2.573 10 0 EFAERM O=C([O-])C1CCC(CC(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000911654963 727579206 /nfs/dbraw/zinc/57/92/06/727579206.db2.gz OQPIKJPZKLEPHM-YZUHTNEWSA-N -1 0 337.460 2.933 10 0 EFAERM Cc1nc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)ccc1C(=O)[O-] ZINC000911680489 727580897 /nfs/dbraw/zinc/58/08/97/727580897.db2.gz XTYWZISESINWNV-GXSJLCMTSA-N -1 0 330.306 2.891 10 0 EFAERM Cc1cc(C(=O)[O-])oc1C(=O)N1CCSC[C@H]1c1nccs1 ZINC000911680020 727580904 /nfs/dbraw/zinc/58/09/04/727580904.db2.gz UXQHGXUFULICFT-VIFPVBQESA-N -1 0 338.410 2.673 10 0 EFAERM Cc1nc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)ccc1C(=O)[O-] ZINC000911680490 727581048 /nfs/dbraw/zinc/58/10/48/727581048.db2.gz XTYWZISESINWNV-KOLCDFICSA-N -1 0 330.306 2.891 10 0 EFAERM Cc1cc(F)c(NC(=O)[C@@H]2C[C@@]2(C)Br)cc1C(=O)[O-] ZINC000911686382 727582635 /nfs/dbraw/zinc/58/26/35/727582635.db2.gz KMUXELCTGQNYDW-ISVAXAHUSA-N -1 0 330.153 2.944 10 0 EFAERM Cc1ccc2c(c1)CN(C(=O)CC1CCC(C(=O)[O-])CC1)CCO2 ZINC000911743829 727591854 /nfs/dbraw/zinc/59/18/54/727591854.db2.gz WDJDVOHTUOBEPU-UHFFFAOYSA-N -1 0 331.412 2.997 10 0 EFAERM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@H](c3ccncc3)C2)o1 ZINC000911744646 727592080 /nfs/dbraw/zinc/59/20/80/727592080.db2.gz NYNWRUGMWLBBMS-SDQPKGBYSA-N -1 0 326.352 2.792 10 0 EFAERM CCc1ccc([C@H]2CCN(C(=O)[C@@H]3CC[C@H](CCC(=O)[O-])O3)C2)cc1 ZINC000911756015 727592324 /nfs/dbraw/zinc/59/23/24/727592324.db2.gz DHTWBGQNOWDSGW-KSZLIROESA-N -1 0 345.439 2.977 10 0 EFAERM C/C(=C\c1ccco1)C(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC000911767746 727595533 /nfs/dbraw/zinc/59/55/33/727595533.db2.gz HDXORIYKNURMST-VAWYXSNFSA-N -1 0 346.408 2.791 10 0 EFAERM O=C([O-])C1CCC(CC(=O)N2C[C@H](O)C[C@H]2c2ccccc2)CC1 ZINC000911772956 727596578 /nfs/dbraw/zinc/59/65/78/727596578.db2.gz KFTXFWOXRNUWQJ-BNICSPFPSA-N -1 0 331.412 2.602 10 0 EFAERM CC(C)(CCC(=O)[O-])C(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000911775140 727597072 /nfs/dbraw/zinc/59/70/72/727597072.db2.gz AUVNQBNMIHSRJP-UHFFFAOYSA-N -1 0 325.302 2.770 10 0 EFAERM C[S@@](=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC000911779355 727597893 /nfs/dbraw/zinc/59/78/93/727597893.db2.gz PRIVEBSJLISVRS-NPMXOYFQSA-N -1 0 337.441 2.577 10 0 EFAERM CON(C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1)[C@@H](C)c1ccccc1C ZINC000911809188 727602415 /nfs/dbraw/zinc/60/24/15/727602415.db2.gz KSAPMTFWGCSEFS-LZWOXQAQSA-N -1 0 335.400 2.858 10 0 EFAERM CON(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC000911811757 727602819 /nfs/dbraw/zinc/60/28/19/727602819.db2.gz XWGJIJZFDVSXEL-KGLIPLIRSA-N -1 0 341.791 2.642 10 0 EFAERM COc1cc2ccccc2cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000733054629 727633766 /nfs/dbraw/zinc/63/37/66/727633766.db2.gz FEOGMFCRNZIBQK-UHFFFAOYSA-N -1 0 335.425 2.954 10 0 EFAERM Cc1oc(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000733054666 727633904 /nfs/dbraw/zinc/63/39/04/727633904.db2.gz HFZVLSYWKOIDNG-UHFFFAOYSA-N -1 0 336.413 2.756 10 0 EFAERM CC(C)(C)CS(=O)(=O)[N-]C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000733059362 727635665 /nfs/dbraw/zinc/63/56/65/727635665.db2.gz QBVVUWDOZUQGCG-UHFFFAOYSA-N -1 0 337.363 2.740 10 0 EFAERM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cc(C)cn2)cc1 ZINC000733060437 727636133 /nfs/dbraw/zinc/63/61/33/727636133.db2.gz WINYZOKFXRGGTK-UHFFFAOYSA-N -1 0 349.456 2.677 10 0 EFAERM C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000912252084 727686553 /nfs/dbraw/zinc/68/65/53/727686553.db2.gz VSWMOGYENQAOJO-UTLUCORTSA-N -1 0 344.333 2.526 10 0 EFAERM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CCC1)c1occc1Br ZINC000916483978 727688809 /nfs/dbraw/zinc/68/88/09/727688809.db2.gz TVLFBRDQVXHUPG-UWVGGRQHSA-N -1 0 334.235 2.757 10 0 EFAERM O=C(Nc1cnn([C@H]2CCCCO2)c1)c1s[n-]c(=O)c1Cl ZINC000912564292 727724780 /nfs/dbraw/zinc/72/47/80/727724780.db2.gz WGRBUWMVOLFSKP-MRVPVSSYSA-N -1 0 328.781 2.650 10 0 EFAERM CC(C)(CNC(=O)c1cccc(C(F)(F)F)c1[O-])n1ccnc1 ZINC000912614423 727729970 /nfs/dbraw/zinc/72/99/70/727729970.db2.gz OTBPUMMTYWFYNN-UHFFFAOYSA-N -1 0 327.306 2.773 10 0 EFAERM O=C(/C=C\c1ccccc1Cl)[N-]S(=O)(=O)c1ccccc1F ZINC000916803752 727736847 /nfs/dbraw/zinc/73/68/47/727736847.db2.gz AUHGGXIZFQISRL-KTKRTIGZSA-N -1 0 339.775 2.997 10 0 EFAERM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912869654 727753218 /nfs/dbraw/zinc/75/32/18/727753218.db2.gz ZAXONBLAOLPANB-SDJAHQOYSA-N -1 0 338.411 2.815 10 0 EFAERM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912864379 727754569 /nfs/dbraw/zinc/75/45/69/727754569.db2.gz OLUQJIJZUOLGKT-KCQAQPDRSA-N -1 0 338.411 2.959 10 0 EFAERM O=C(Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)[C@H]1CCCSC1 ZINC000912866349 727754634 /nfs/dbraw/zinc/75/46/34/727754634.db2.gz CKWRSXAJQRRQJB-LBPRGKRZSA-N -1 0 344.440 2.666 10 0 EFAERM O=C(Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)[C@@H]1CCCSC1 ZINC000912866348 727754639 /nfs/dbraw/zinc/75/46/39/727754639.db2.gz CKWRSXAJQRRQJB-GFCCVEGCSA-N -1 0 344.440 2.666 10 0 EFAERM CC1(/C=C/C(=O)Nc2nccc(Br)c2[O-])CCOCC1 ZINC000913025058 727769760 /nfs/dbraw/zinc/76/97/60/727769760.db2.gz HGDCQISAXNAPDR-DUXPYHPUSA-N -1 0 341.205 2.861 10 0 EFAERM C[C@@H](CC(=O)Nc1nccc(Br)c1[O-])[C@H]1CCCO1 ZINC000913025529 727769846 /nfs/dbraw/zinc/76/98/46/727769846.db2.gz QRGFIGRJCXXYCM-WCBMZHEXSA-N -1 0 329.194 2.693 10 0 EFAERM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1nccc(Br)c1[O-] ZINC000913026621 727770015 /nfs/dbraw/zinc/77/00/15/727770015.db2.gz XHKVKCGYJUYDNN-ZCFIWIBFSA-N -1 0 339.193 2.632 10 0 EFAERM CC[C@H]1C[C@@H](C(=O)Nc2nccc(Br)c2[O-])CCO1 ZINC000913026603 727770050 /nfs/dbraw/zinc/77/00/50/727770050.db2.gz WSQQVFHFOZLGHO-IUCAKERBSA-N -1 0 329.194 2.693 10 0 EFAERM O=C(Nc1nccc(Br)c1[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000913027033 727770215 /nfs/dbraw/zinc/77/02/15/727770215.db2.gz GZDOWGDUNQIINE-SECBINFHSA-N -1 0 341.205 2.838 10 0 EFAERM CC(C)OC1(C(=O)Nc2nccc(Br)c2[O-])CCC1 ZINC000913027930 727770325 /nfs/dbraw/zinc/77/03/25/727770325.db2.gz XQQHYBQSGCAXSF-UHFFFAOYSA-N -1 0 329.194 2.836 10 0 EFAERM Cn1c(=O)c2ccc(C(=O)N3CC=CC34CCCC4)cc2[n-]c1=S ZINC000913200029 727796470 /nfs/dbraw/zinc/79/64/70/727796470.db2.gz NNIVEFZDNLRJPI-UHFFFAOYSA-N -1 0 341.436 2.547 10 0 EFAERM CCn1nc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1C1CC1 ZINC000913270488 727810944 /nfs/dbraw/zinc/81/09/44/727810944.db2.gz ADVNRJQKLGTGAX-UHFFFAOYSA-N -1 0 337.383 2.924 10 0 EFAERM Cc1ccc(NC2CC2)c(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c1 ZINC000913436516 727838505 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O=C([O-])[C@@H](CC(F)F)NC(=O)NCc1ccccc1OC1CCC1 ZINC000580232162 324124238 /nfs/dbraw/zinc/12/42/38/324124238.db2.gz OMVZLWMFCQNSIZ-GFCCVEGCSA-N -1 0 342.342 2.526 10 0 EFAERM CC[C@@H](CNC(=O)N(CC(=O)[O-])C1CCC1)Oc1cccc(F)c1 ZINC000580391314 324151437 /nfs/dbraw/zinc/15/14/37/324151437.db2.gz HTWGMCUBURTIQU-AWEZNQCLSA-N -1 0 338.379 2.632 10 0 EFAERM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC000580434400 324162411 /nfs/dbraw/zinc/16/24/11/324162411.db2.gz KAEWRJOZHOVHKQ-MWLCHTKSSA-N -1 0 348.321 2.642 10 0 EFAERM C[C@@H]1CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C[C@@H]1C(=O)[O-] ZINC000580445890 324166390 /nfs/dbraw/zinc/16/63/90/324166390.db2.gz KWYMNHPHQIMQBV-CJNGLKHVSA-N -1 0 342.399 2.506 10 0 EFAERM CCC(CC)[C@@H]1C[C@@H](NC(=O)N(CC(=O)[O-])C2CCC2)CCO1 ZINC000580614024 324197540 /nfs/dbraw/zinc/19/75/40/324197540.db2.gz HOATWVSTVLFTKX-ZFWWWQNUSA-N -1 0 326.437 2.619 10 0 EFAERM C/C=C\C[C@@H](NC(=O)NCCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000580614036 324197869 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CCO[C@H]1C[C@@](NC(=O)NCC2(C)CCCC2)(C(=O)[O-])C1(C)C ZINC000580752478 324225822 /nfs/dbraw/zinc/22/58/22/324225822.db2.gz XTMNTIMQZGCBOC-YVEFUNNKSA-N -1 0 326.437 2.524 10 0 EFAERM CCCc1cnc([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)s1 ZINC000580881359 324258006 /nfs/dbraw/zinc/25/80/06/324258006.db2.gz KVBYYSSBSKPDDB-SNVBAGLBSA-N -1 0 340.474 2.990 10 0 EFAERM CCc1cc(CNC(=O)N=c2nc(-c3ccsc3)[n-]s2)on1 ZINC000580932464 324268561 /nfs/dbraw/zinc/26/85/61/324268561.db2.gz BQKVQGNNGKBFHF-UHFFFAOYSA-N -1 0 335.414 2.561 10 0 EFAERM COc1n[n-]c(=NC(=O)N(C)CCc2cccc3ccccc32)s1 ZINC000580965046 324277926 /nfs/dbraw/zinc/27/79/26/324277926.db2.gz SNNKSZVPJDONEN-UHFFFAOYSA-N -1 0 342.424 2.828 10 0 EFAERM CCO[C@@H]1C[C@](NC(=O)N[C@H]2CCC[C@@H](C)C2)(C(=O)[O-])C1(C)C ZINC000581055781 324295067 /nfs/dbraw/zinc/29/50/67/324295067.db2.gz HTCAXXLSZARENW-ZHRONYKTSA-N -1 0 326.437 2.523 10 0 EFAERM CCOC(=O)[C@@H]1COc2ccc(-c3cc(C(=O)[O-])ccc3CO)cc21 ZINC000581083416 324302819 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CC[C@@H](NC(=O)NCCCO[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000581388837 324366364 /nfs/dbraw/zinc/36/63/64/324366364.db2.gz XYBMPNBLIPJJGF-CVEARBPZSA-N -1 0 334.416 2.633 10 0 EFAERM Cc1cccc2[nH]cc(CCNC(=O)N3CCCC[C@H]3C(=O)[O-])c21 ZINC000581448015 324380918 /nfs/dbraw/zinc/38/09/18/324380918.db2.gz IXCGHLWGCMZQAJ-HNNXBMFYSA-N -1 0 329.400 2.668 10 0 EFAERM Cc1cnc(-c2cccc(NC(=O)N[C@H](CC(F)F)C(=O)[O-])c2)o1 ZINC000581592605 324413183 /nfs/dbraw/zinc/41/31/83/324413183.db2.gz QKQULSZUTBUFII-LLVKDONJSA-N -1 0 339.298 2.880 10 0 EFAERM Cc1cnc(-c2cccc(NC(=O)N[C@@H](CC(F)F)C(=O)[O-])c2)o1 ZINC000581592606 324413195 /nfs/dbraw/zinc/41/31/95/324413195.db2.gz QKQULSZUTBUFII-NSHDSACASA-N -1 0 339.298 2.880 10 0 EFAERM C[C@@](NC(=O)NCc1ccccc1OC1CCC1)(C(=O)[O-])C1CC1 ZINC000581685680 324437404 /nfs/dbraw/zinc/43/74/04/324437404.db2.gz BLYWMXHVYQEAMB-SFHVURJKSA-N -1 0 332.400 2.670 10 0 EFAERM CCO[C@@H]1C[C@@H](NC(=O)N(CC(=O)[O-])C2CCC2)C12CCCCC2 ZINC000582040687 324505540 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331.412 2.597 10 0 EFAERM C[C@H](Sc1ccccc1C(=O)N[C@H]1CO[C@@H](C2CC2)C1)C(=O)[O-] ZINC000630275146 480646836 /nfs/dbraw/zinc/64/68/36/480646836.db2.gz RUXRWGLAGROICL-ZKYQVNSYSA-N -1 0 335.425 2.549 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)COc2ccccc2Cl)[C@@H]2CCC[C@H]21 ZINC000630277909 480647339 /nfs/dbraw/zinc/64/73/39/480647339.db2.gz YTZAKPNVTYZLFC-OUCADQQQSA-N -1 0 337.803 2.821 10 0 EFAERM COc1ccc(O[C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC000630276507 480648020 /nfs/dbraw/zinc/64/80/20/480648020.db2.gz VWKOMOCNUHWCQX-VDNDLQMASA-N -1 0 347.411 2.564 10 0 EFAERM O=C([O-])[C@@H]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000634936352 480648650 /nfs/dbraw/zinc/64/86/50/480648650.db2.gz GUFQAHXENUVCOE-ZACQAIPSSA-N -1 0 343.423 2.698 10 0 EFAERM COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@@H]3CCC[C@H]3C(=O)[O-])C2)c1 ZINC000634937285 480648832 /nfs/dbraw/zinc/64/88/32/480648832.db2.gz GMCKMLSCVBBKNX-MUIFIZLQSA-N -1 0 331.412 2.901 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)CCc2nc3ccccc3o2)[C@H]2CCC[C@H]21 ZINC000630279275 480648860 /nfs/dbraw/zinc/64/88/60/480648860.db2.gz JPDPVEUCALVWFE-GUTXKFCHSA-N -1 0 342.395 2.862 10 0 EFAERM CC(C)Oc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)n1 ZINC000630281145 480649850 /nfs/dbraw/zinc/64/98/50/480649850.db2.gz BGCUXPSMKOEJSO-IPYPFGDCSA-N -1 0 332.400 2.584 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000630282316 480650219 /nfs/dbraw/zinc/65/02/19/480650219.db2.gz QPEVAWBZVMNTMZ-ZMSDIMECSA-N -1 0 339.395 2.588 10 0 EFAERM COc1cc(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)ccc1C ZINC000630282927 480650271 /nfs/dbraw/zinc/65/02/71/480650271.db2.gz RICUWKUNSSYACX-JYJNAYRXSA-N -1 0 331.412 2.648 10 0 EFAERM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000630282518 480650494 /nfs/dbraw/zinc/65/04/94/480650494.db2.gz GKVPGACQJJLTPY-VGWMRTNUSA-N -1 0 325.449 2.930 10 0 EFAERM COc1cc(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)ccc1C ZINC000630282924 480650654 /nfs/dbraw/zinc/65/06/54/480650654.db2.gz RICUWKUNSSYACX-HRCADAONSA-N -1 0 331.412 2.648 10 0 EFAERM O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000630282873 480650882 /nfs/dbraw/zinc/65/08/82/480650882.db2.gz XOGFKQBQJWAOLV-GWCFXTLKSA-N -1 0 345.317 2.705 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)C2=Cc3ccccc3OC2)[C@H]2CCC[C@H]21 ZINC000630281936 480650937 /nfs/dbraw/zinc/65/09/37/480650937.db2.gz PIHFRLYJHGOBMO-XHSDSOJGSA-N -1 0 327.380 2.564 10 0 EFAERM COc1ccc(SCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC000630284419 480651944 /nfs/dbraw/zinc/65/19/44/480651944.db2.gz LCEQMEWVCFRDEN-OWCLPIDISA-N -1 0 349.452 2.889 10 0 EFAERM CCO[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)c1ccccc1 ZINC000630284340 480652250 /nfs/dbraw/zinc/65/22/50/480652250.db2.gz KNXIDNRRSBEACU-TWMKSMIVSA-N -1 0 331.412 2.866 10 0 EFAERM COc1ccc(C[C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC000630286744 480652672 /nfs/dbraw/zinc/65/26/72/480652672.db2.gz UAOLBCHRAWGTTL-HNONPPJISA-N -1 0 345.439 2.976 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)CCc2cc(F)ccc2F)[C@H]2CCC[C@@H]21 ZINC000630285108 480653383 /nfs/dbraw/zinc/65/33/83/480653383.db2.gz ZLYYPNCNBUVUJJ-FMKPAKJESA-N -1 0 337.366 2.999 10 0 EFAERM O=C([O-])[C@@H]1CCN(C(=O)c2csc(C(F)(F)F)n2)[C@@H]2CCC[C@H]21 ZINC000630287257 480653765 /nfs/dbraw/zinc/65/37/65/480653765.db2.gz XKRQJZUQOCACGK-QXFUBDJGSA-N -1 0 348.346 2.877 10 0 EFAERM COc1ccc(CCNC(=O)CC2CCC(C(=O)[O-])CC2)cc1F ZINC000630290300 480656242 /nfs/dbraw/zinc/65/62/42/480656242.db2.gz HAAXFZMEAHWCPC-UHFFFAOYSA-N -1 0 337.391 2.774 10 0 EFAERM O=C([O-])[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000634947072 480656735 /nfs/dbraw/zinc/65/67/35/480656735.db2.gz HJJASFZNZPKHIA-BARDWOONSA-N -1 0 337.803 2.787 10 0 EFAERM COc1ccc(N(CCC(C)C)C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)cc1 ZINC000630294233 480658225 /nfs/dbraw/zinc/65/82/25/480658225.db2.gz HGCSDKZSIOKICB-HOTGVXAUSA-N -1 0 335.400 2.707 10 0 EFAERM Cc1cc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)ccc1C(F)(F)F ZINC000630295013 480659131 /nfs/dbraw/zinc/65/91/31/480659131.db2.gz UVNRNANBKJSUIZ-GGZOMVNGSA-N -1 0 331.290 2.831 10 0 EFAERM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000630296963 480659709 /nfs/dbraw/zinc/65/97/09/480659709.db2.gz GTYKTTDTRVXOQN-GOSISDBHSA-N -1 0 328.343 2.723 10 0 EFAERM Cc1cc(Br)ccc1CN(C)C(=O)C(C)(C)C(=O)[O-] ZINC000630298667 480660245 /nfs/dbraw/zinc/66/02/45/480660245.db2.gz RKVCDKBZTITHTQ-UHFFFAOYSA-N -1 0 328.206 2.827 10 0 EFAERM O=C([O-])[C@H]1CC[C@@H](C(=O)NC2(Cc3ccccc3)CCCCC2)O1 ZINC000630301121 480661178 /nfs/dbraw/zinc/66/11/78/480661178.db2.gz FCMGVRAORGUKNF-JKSUJKDBSA-N -1 0 331.412 2.680 10 0 EFAERM C[C@@H](NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)c1cc2ccccc2s1 ZINC000630302188 480661964 /nfs/dbraw/zinc/66/19/64/480661964.db2.gz YIDWSZYZEBUWAJ-HOZXKAFVSA-N -1 0 333.409 2.957 10 0 EFAERM CC(C)(C(=O)[O-])C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000630303263 480662927 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10 0 EFAERM CO[C@@H]1CN(C(=O)c2cc3cc(F)ccc3s2)[C@@](C)(C(=O)[O-])C1 ZINC000630307991 480664858 /nfs/dbraw/zinc/66/48/58/480664858.db2.gz AFABFRJOJVANOR-MEDUHNTESA-N -1 0 337.372 2.745 10 0 EFAERM CO[C@H]1CN(C(=O)c2cc3cc(F)ccc3s2)[C@@](C)(C(=O)[O-])C1 ZINC000630307982 480665036 /nfs/dbraw/zinc/66/50/36/480665036.db2.gz AFABFRJOJVANOR-BDJLRTHQSA-N -1 0 337.372 2.745 10 0 EFAERM CO[C@H]1CN(C(=O)CCC(C)(C)c2ccccc2)[C@](C)(C(=O)[O-])C1 ZINC000630308872 480665129 /nfs/dbraw/zinc/66/51/29/480665129.db2.gz DBRCHVLHVRTOCW-BEFAXECRSA-N -1 0 333.428 2.835 10 0 EFAERM CC[C@H](C)c1ccccc1OCC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000630309639 480665259 /nfs/dbraw/zinc/66/52/59/480665259.db2.gz IMGFKKXMLDRMFH-IQUTYRLHSA-N -1 0 349.427 2.670 10 0 EFAERM CO[C@H]1CN(C(=O)CCCc2cc(C)sc2C)[C@@](C)(C(=O)[O-])C1 ZINC000630312421 480665866 /nfs/dbraw/zinc/66/58/66/480665866.db2.gz ORJQJEYRMDFHMH-RHSMWYFYSA-N -1 0 339.457 2.778 10 0 EFAERM CO[C@H]1CN(C(=O)Cc2coc3c2ccc(C)c3C)[C@](C)(C(=O)[O-])C1 ZINC000630311283 480665877 /nfs/dbraw/zinc/66/58/77/480665877.db2.gz RCTFVUXRUGRVSJ-KUHUBIRLSA-N -1 0 345.395 2.683 10 0 EFAERM CO[C@@H]1CN(C(=O)Cc2cc(Cl)cc(Cl)c2)[C@@](C)(C(=O)[O-])C1 ZINC000630311389 480665895 /nfs/dbraw/zinc/66/58/95/480665895.db2.gz AKLTVZDHSFSDAK-SWLSCSKDSA-N -1 0 346.210 2.627 10 0 EFAERM CO[C@H]1CN(C(=O)c2cc(SC)ccc2Cl)[C@@](C)(C(=O)[O-])C1 ZINC000630311920 480665921 /nfs/dbraw/zinc/66/59/21/480665921.db2.gz SVSCXPCCYGNLHB-RFAUZJTJSA-N -1 0 343.832 2.766 10 0 EFAERM CO[C@@H]1CN(C(=O)[C@@H](C)CSc2ccccc2)[C@](C)(C(=O)[O-])C1 ZINC000630311750 480665948 /nfs/dbraw/zinc/66/59/48/480665948.db2.gz PPZCQHUGXBOCPL-DCGLDWPTSA-N -1 0 337.441 2.505 10 0 EFAERM CO[C@@H]1CN(C(=O)c2cc3c(s2)CC[C@H](C)C3)[C@](C)(C(=O)[O-])C1 ZINC000630311659 480666022 /nfs/dbraw/zinc/66/60/22/480666022.db2.gz MQTSNRIJJHSBAO-ZMNCSTGQSA-N -1 0 337.441 2.577 10 0 EFAERM CC[C@H](CC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-])c1ccc(C)cc1 ZINC000630310295 480666258 /nfs/dbraw/zinc/66/62/58/480666258.db2.gz 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/nfs/dbraw/zinc/47/54/43/535475443.db2.gz PMGYNISYIFKIOA-GUYCJALGSA-N -1 0 346.456 2.773 10 0 EFAERM CCCc1nc(=NC(=O)N[C@H]2C[C@@H]2c2cccc(OCC)c2)s[n-]1 ZINC000350870201 535475454 /nfs/dbraw/zinc/47/54/54/535475454.db2.gz RAAMBSSQINGFRW-KGLIPLIRSA-N -1 0 346.456 2.989 10 0 EFAERM CCCc1nc(=NC(=O)N[C@H]2CCOc3ccc(OC)cc32)s[n-]1 ZINC000350906075 535475498 /nfs/dbraw/zinc/47/54/98/535475498.db2.gz YPGOGBVCDAVVTM-LBPRGKRZSA-N -1 0 348.428 2.566 10 0 EFAERM CCCc1nc(=NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)s[n-]1 ZINC000350868900 535475814 /nfs/dbraw/zinc/47/58/14/535475814.db2.gz OVYUHLJZZUWONV-CYBMUJFWSA-N -1 0 348.428 2.724 10 0 EFAERM CCCc1nc(=NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)s[n-]1 ZINC000351748342 535476563 /nfs/dbraw/zinc/47/65/63/535476563.db2.gz HRGCUCARTJZTEM-UHFFFAOYSA-N -1 0 332.360 2.558 10 0 EFAERM CCOc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263490940 535528266 /nfs/dbraw/zinc/52/82/66/535528266.db2.gz OSLXRRMATXNKPC-NXEZZACHSA-N -1 0 346.305 2.812 10 0 EFAERM CCO[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000236862661 535532480 /nfs/dbraw/zinc/53/24/80/535532480.db2.gz DSNZGLJUDPZNAK-JIMOISOXSA-N -1 0 329.755 2.536 10 0 EFAERM CCOc1ccncc1S(=O)(=O)[N-]c1cc(C)n([C@H](C)CC)n1 ZINC000414381065 535561497 /nfs/dbraw/zinc/56/14/97/535561497.db2.gz KRMFIXGZIYWADO-LLVKDONJSA-N -1 0 338.433 2.757 10 0 EFAERM CCC[C@@]1(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CCOC1 ZINC000263470718 535568666 /nfs/dbraw/zinc/56/86/66/535568666.db2.gz LFAFCZYEHSKYRF-VQIMIIECSA-N -1 0 348.443 2.721 10 0 EFAERM CCC[C@H](C)N(C)S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000355454652 535632639 /nfs/dbraw/zinc/63/26/39/535632639.db2.gz KHHITFKKMLUATK-LBPRGKRZSA-N -1 0 343.445 2.576 10 0 EFAERM CCCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000414378105 535643316 /nfs/dbraw/zinc/64/33/16/535643316.db2.gz GARNQCFLMZLJSG-UHFFFAOYSA-N -1 0 329.809 2.756 10 0 EFAERM CC[C@@H](C)[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)C(=O)[O-] ZINC000236858993 535663834 /nfs/dbraw/zinc/66/38/34/535663834.db2.gz VHKXWCPTONXKIW-IAQYHMDHSA-N -1 0 349.818 2.814 10 0 EFAERM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000348910329 535703220 /nfs/dbraw/zinc/70/32/20/535703220.db2.gz VMPNLNGXJCUZPG-UHFFFAOYSA-N -1 0 339.344 2.509 10 0 EFAERM CCC[C@H]1CN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CCO1 ZINC000363953302 535736587 /nfs/dbraw/zinc/73/65/87/535736587.db2.gz LNZJAUOSXILACU-NSHDSACASA-N -1 0 338.458 2.721 10 0 EFAERM CC[C@@H](CN=c1[n-]c(C2CCOCC2)no1)Oc1ccccc1C ZINC000413181838 535746993 /nfs/dbraw/zinc/74/69/93/535746993.db2.gz RDEJWPQKRPETSW-HNNXBMFYSA-N -1 0 331.416 2.963 10 0 EFAERM CCOc1ccc(OC)cc1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263456970 535755097 /nfs/dbraw/zinc/75/50/97/535755097.db2.gz CKTHOCWJXXSPBP-KPZWWZAWSA-N -1 0 348.399 2.813 10 0 EFAERM CCc1sc(C(=O)N2CCC(COC)(C(=O)[O-])CC2)cc1C ZINC000366418075 535946624 /nfs/dbraw/zinc/94/66/24/535946624.db2.gz LTIALXMWEKVQKB-UHFFFAOYSA-N -1 0 325.430 2.572 10 0 EFAERM CCc1ccccc1S(=O)(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000358852936 535972924 /nfs/dbraw/zinc/97/29/24/535972924.db2.gz WXMSXYQPQYDWPY-ZNMIVQPWSA-N -1 0 337.441 2.655 10 0 EFAERM CCn1cnc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)c1 ZINC000356954302 536129129 /nfs/dbraw/zinc/12/91/29/536129129.db2.gz RXPVTNGVDVTQKA-UHFFFAOYSA-N -1 0 330.413 2.869 10 0 EFAERM CCn1cnc(S(=O)(=O)[N-]c2cc(C)n(-c3ccc(C)cc3)n2)c1 ZINC000342786860 536129473 /nfs/dbraw/zinc/12/94/73/536129473.db2.gz VVQDUOILMXSFIH-UHFFFAOYSA-N -1 0 345.428 2.506 10 0 EFAERM CCn1cnc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c1 ZINC000340179446 536129670 /nfs/dbraw/zinc/12/96/70/536129670.db2.gz BSKYRWLHAHZXFT-UHFFFAOYSA-N -1 0 332.385 2.667 10 0 EFAERM CO[C@H](C)c1nc(=NCc2cccnc2OC2CCCC2)s[n-]1 ZINC000337917830 536498534 /nfs/dbraw/zinc/49/85/34/536498534.db2.gz TZYZSHOALSIZMA-LLVKDONJSA-N -1 0 334.445 2.996 10 0 EFAERM CO[C@H](C)c1nc(=N[C@H](C)c2ccc([S@](C)=O)cc2)s[n-]1 ZINC000337867374 536499542 /nfs/dbraw/zinc/49/95/42/536499542.db2.gz LMAXCWZDFONQJD-QDXVKYEASA-N -1 0 325.459 2.578 10 0 EFAERM CO[C@H](C)c1nc(=N[C@H]2CCN(c3ccc(F)cc3F)C2)s[n-]1 ZINC000367169211 536500341 /nfs/dbraw/zinc/50/03/41/536500341.db2.gz BYXOQTPUTMAFQW-KOLCDFICSA-N -1 0 340.399 2.636 10 0 EFAERM COc1ccc(-c2nnc(NC(=O)c3ncc(C)cc3[O-])s2)cc1 ZINC000427546091 536530910 /nfs/dbraw/zinc/53/09/10/536530910.db2.gz ZISTVKUAEDPLHE-UHFFFAOYSA-N -1 0 342.380 2.875 10 0 EFAERM COC(=O)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccoc1 ZINC000350019069 536632984 /nfs/dbraw/zinc/63/29/84/536632984.db2.gz SVHYSTDDDWSUJS-UHFFFAOYSA-N -1 0 349.286 2.886 10 0 EFAERM COC[C@]1(C(=O)[O-])CCN(C(=O)C[C@H](c2ccccc2)C(C)C)C1 ZINC000263082428 536667604 /nfs/dbraw/zinc/66/76/04/536667604.db2.gz SCRFXXHUUZZOHH-LPHOPBHVSA-N -1 0 333.428 2.766 10 0 EFAERM COC(=O)[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)CC(C)C ZINC000194755948 536679972 /nfs/dbraw/zinc/67/99/72/536679972.db2.gz DQSSSSUAUFVCGK-JTQLQIEISA-N -1 0 331.771 2.750 10 0 EFAERM COc1cc(C2(C(=O)NCc3cc(C(=O)[O-])c(C)o3)CC2)ccc1C ZINC000362589024 536717771 /nfs/dbraw/zinc/71/77/71/536717771.db2.gz HJLUKTPFUIZYTC-UHFFFAOYSA-N -1 0 343.379 2.951 10 0 EFAERM COCc1cc(NC(=O)Cn2ncc3ccccc32)cc(C(=O)[O-])c1 ZINC000427661221 536731024 /nfs/dbraw/zinc/73/10/24/536731024.db2.gz CDKLFACSFGAXTR-UHFFFAOYSA-N -1 0 339.351 2.520 10 0 EFAERM COCc1cc(NC(=O)c2oc(C3CC3)nc2C)cc(C(=O)[O-])c1 ZINC000263039762 536735429 /nfs/dbraw/zinc/73/54/29/536735429.db2.gz DNMFOSDHXBDKPU-UHFFFAOYSA-N -1 0 330.340 2.957 10 0 EFAERM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCc2csc3ccccc23)C1 ZINC000237123794 536760264 /nfs/dbraw/zinc/76/02/64/536760264.db2.gz ZKWKFHASYHXSAI-HIFRSBDPSA-N -1 0 347.436 2.925 10 0 EFAERM COC(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1C ZINC000343492640 536778080 /nfs/dbraw/zinc/77/80/80/536778080.db2.gz JBYPBQZOUUPYMC-UHFFFAOYSA-N -1 0 336.347 2.875 10 0 EFAERM COCCc1ccnc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000351170719 536831742 /nfs/dbraw/zinc/83/17/42/536831742.db2.gz PPDMOYUMOXAGGT-UHFFFAOYSA-N -1 0 343.408 2.620 10 0 EFAERM COc1cccc([C@H]2C[C@H](NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])C2)c1 ZINC000424394811 536909145 /nfs/dbraw/zinc/90/91/45/536909145.db2.gz DRJXCQYIBPNUCK-BZUAXINKSA-N -1 0 348.443 2.987 10 0 EFAERM COc1cccc([C@H]2C[C@H](NC(=O)NC[C@H](CC(C)C)C(=O)[O-])C2)c1 ZINC000424394813 536909258 /nfs/dbraw/zinc/90/92/58/536909258.db2.gz DRJXCQYIBPNUCK-JYJNAYRXSA-N -1 0 348.443 2.987 10 0 EFAERM COc1cccc(S([O-])=CC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000424809926 536921969 /nfs/dbraw/zinc/92/19/69/536921969.db2.gz JJHQRCDXOYQUOV-CDZHTHGISA-N -1 0 349.374 2.602 10 0 EFAERM COc1ccc([C@H](NC(=O)[C@@H]2CCC[C@@H](F)C2)C(=O)[O-])cc1F ZINC000425261136 536927200 /nfs/dbraw/zinc/92/72/00/536927200.db2.gz WDCONZLKLIGRKL-GYSYKLTISA-N -1 0 327.327 2.605 10 0 EFAERM COc1ccc2c(CC(=O)N3CC[C@](C(=O)[O-])(C(C)C)C3)coc2c1 ZINC000262855158 536964201 /nfs/dbraw/zinc/96/42/01/536964201.db2.gz IFPCTXSPUZZMKO-LJQANCHMSA-N -1 0 345.395 2.943 10 0 EFAERM COc1ccc2cccc(CC(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC000262839499 537039866 /nfs/dbraw/zinc/03/98/66/537039866.db2.gz CWKNUJAGTCRZCL-CXAGYDPISA-N -1 0 341.407 2.960 10 0 EFAERM COc1cccc(-c2nc(=NC(=O)CCc3cscn3)s[n-]2)c1 ZINC000342961850 537065937 /nfs/dbraw/zinc/06/59/37/537065937.db2.gz TXCVAKOXELNYFJ-UHFFFAOYSA-N -1 0 346.437 2.663 10 0 EFAERM COc1cccc(F)c1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000345911593 537119987 /nfs/dbraw/zinc/11/99/87/537119987.db2.gz VRHPYWFGPFNOCH-CYBMUJFWSA-N -1 0 331.343 2.508 10 0 EFAERM COc1ccsc1S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000253429305 537121355 /nfs/dbraw/zinc/12/13/55/537121355.db2.gz CQSGGTKZWKLLQW-UHFFFAOYSA-N -1 0 325.411 2.883 10 0 EFAERM CCn1cc(S(=O)(=O)NCc2ccc(C3CC3)cc2)cc1C(=O)[O-] ZINC000191640791 545518266 /nfs/dbraw/zinc/51/82/66/545518266.db2.gz KJXUDQKOBSPBRG-UHFFFAOYSA-N -1 0 348.424 2.562 10 0 EFAERM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)NC[C@@H](C)C(C)C)cc1 ZINC000192969096 545532844 /nfs/dbraw/zinc/53/28/44/545532844.db2.gz YYPLQNOQQVBZSN-GFCCVEGCSA-N -1 0 329.400 2.901 10 0 EFAERM COc1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C4CC4)C3)n2)cc1 ZINC000291701368 538543553 /nfs/dbraw/zinc/54/35/53/538543553.db2.gz AVVQAJPEOHSYNB-CQSZACIVSA-N -1 0 341.411 2.849 10 0 EFAERM Cc1cc(C)n(Cc2ccc(C(=O)N(CCC(=O)[O-])C3CC3)cc2)n1 ZINC000237659642 545567705 /nfs/dbraw/zinc/56/77/05/545567705.db2.gz OHKLOPLFQONFAR-UHFFFAOYSA-N -1 0 341.411 2.628 10 0 EFAERM Cc1noc(C)c1C[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000221905277 545560797 /nfs/dbraw/zinc/56/07/97/545560797.db2.gz HLLGLVKLEFXOET-NZBMOFRJSA-N -1 0 334.416 2.714 10 0 EFAERM CCCC[C@H](NC(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC)C(=O)[O-] ZINC000248504965 545601514 /nfs/dbraw/zinc/60/15/14/545601514.db2.gz VXDCZWCFSCNPSF-VNQPRFMTSA-N -1 0 348.443 2.591 10 0 EFAERM C[C@H](NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)c1ccc(-c2cccnc2)cc1 ZINC000249292548 545609248 /nfs/dbraw/zinc/60/92/48/545609248.db2.gz JJJKAWFQCAFJBO-ZLIFDBKOSA-N -1 0 340.379 2.558 10 0 EFAERM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1ccc(-c2cccnc2)cc1 ZINC000249292545 545609335 /nfs/dbraw/zinc/60/93/35/545609335.db2.gz JJJKAWFQCAFJBO-VUCTXSBTSA-N -1 0 340.379 2.558 10 0 EFAERM CCOc1ccc(OCCCC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000262714031 545623688 /nfs/dbraw/zinc/62/36/88/545623688.db2.gz MSZRCVRQTWZDLN-UONOGXRCSA-N -1 0 335.400 2.614 10 0 EFAERM Cc1nc(CNC(=O)CSc2ccccc2C)sc1C(=O)[O-] ZINC000315661280 545811405 /nfs/dbraw/zinc/81/14/05/545811405.db2.gz JEZWTAKTICCIGF-UHFFFAOYSA-N -1 0 336.438 2.867 10 0 EFAERM O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)O1 ZINC000318658789 545814527 /nfs/dbraw/zinc/81/45/27/545814527.db2.gz BVVIPQRXLCHIKI-WOPDTQHZSA-N -1 0 341.816 2.625 10 0 EFAERM Cc1nc(CNC(=O)C2(c3ccc(F)cc3)CC2)sc1C(=O)[O-] ZINC000320944993 545816047 /nfs/dbraw/zinc/81/60/47/545816047.db2.gz ZLGDKQYCTMCFIX-UHFFFAOYSA-N -1 0 334.372 2.637 10 0 EFAERM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCOc1cccc(F)c1 ZINC000324025120 545819910 /nfs/dbraw/zinc/81/99/10/545819910.db2.gz NHOMEYJHVIUNGL-WQVCFCJDSA-N -1 0 335.375 2.839 10 0 EFAERM CCOc1ccc2cc(C(=O)N=c3ncn(C(C)(C)C)[n-]3)[nH]c2c1 ZINC000345739774 545971007 /nfs/dbraw/zinc/97/10/07/545971007.db2.gz QEHAYOAYXCNHIZ-UHFFFAOYSA-N -1 0 327.388 2.587 10 0 EFAERM C[C@@H]1C[C@@H](c2noc(-c3nc[n-]c3C(=O)c3ccccc3)n2)CCO1 ZINC000350118250 546012057 /nfs/dbraw/zinc/01/20/57/546012057.db2.gz YVIUHLQSPRZRPR-YPMHNXCESA-N -1 0 338.367 2.973 10 0 EFAERM Cc1cccc(CCNC(=O)Cc2ccc(Br)cc2O)n1 ZINC000352086988 546046483 /nfs/dbraw/zinc/04/64/83/546046483.db2.gz JFPBSDNLGJHLID-UHFFFAOYSA-N -1 0 349.228 2.760 10 0 EFAERM COc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c(OC)c1OC ZINC000358588471 546111687 /nfs/dbraw/zinc/11/16/87/546111687.db2.gz JMDYCLJUEZKXIJ-UHFFFAOYSA-N -1 0 349.314 2.802 10 0 EFAERM COCCN(CC(=O)[O-])C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000362330219 546138126 /nfs/dbraw/zinc/13/81/26/546138126.db2.gz OASNGFQLPJVHJC-UHFFFAOYSA-N -1 0 335.444 2.866 10 0 EFAERM CC(C)CN(CC(C)C)C(=O)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000392708744 546167558 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546626017 /nfs/dbraw/zinc/62/60/17/546626017.db2.gz YNUWBLYYFBAPOA-ZFWWWQNUSA-N -1 0 333.432 2.847 10 0 EFAERM CC(C)[C@H](CNC(=O)N1CCC[C@@H]1Cc1cccc(F)c1)C(=O)[O-] ZINC000655890356 546626966 /nfs/dbraw/zinc/62/69/66/546626966.db2.gz GKPGWJPKLYUPPR-CVEARBPZSA-N -1 0 336.407 2.899 10 0 EFAERM CC[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1nc2ccccc2[nH]1 ZINC000655891585 546626971 /nfs/dbraw/zinc/62/69/71/546626971.db2.gz FJLOARONIKBRTL-VXGBXAGGSA-N -1 0 332.404 2.670 10 0 EFAERM CC(C)[C@@H](CNC(=O)N1CCC(c2ccc(O)cc2)CC1)C(=O)[O-] ZINC000655890315 546627032 /nfs/dbraw/zinc/62/70/32/546627032.db2.gz FMTVQRGBYHTLNX-MRXNPFEDSA-N -1 0 334.416 2.638 10 0 EFAERM COc1c(C)cc(CN(C)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000655892901 546627796 /nfs/dbraw/zinc/62/77/96/546627796.db2.gz ZRVNYRDVCXNZOY-OAHLLOKOSA-N -1 0 336.432 2.810 10 0 EFAERM CC(C)[C@@H](CNC(=O)N1CC[C@](C)(c2ccc(F)cc2)C1)C(=O)[O-] ZINC000655896772 546628668 /nfs/dbraw/zinc/62/86/68/546628668.db2.gz IPCVBLKYXLLJDW-QAPCUYQASA-N -1 0 336.407 2.856 10 0 EFAERM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655894738 546628824 /nfs/dbraw/zinc/62/88/24/546628824.db2.gz MKCFHIBLJSNBCH-WBVHZDCISA-N -1 0 347.459 2.654 10 0 EFAERM CC[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[C@H]1CCCCO1 ZINC000655900326 546629377 /nfs/dbraw/zinc/62/93/77/546629377.db2.gz RAFOLMVADQUZOT-QKGCVVFFSA-N -1 0 340.464 2.769 10 0 EFAERM C[C@H](NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900704 546630679 /nfs/dbraw/zinc/63/06/79/546630679.db2.gz VQKFLBGIWBMFIG-ZEMPRUGVSA-N -1 0 344.402 2.809 10 0 EFAERM C[C@H](NC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900973 546630880 /nfs/dbraw/zinc/63/08/80/546630880.db2.gz YTRYHYSKBKAODI-HGWYVBMDSA-N -1 0 346.471 2.975 10 0 EFAERM C[C@H](NC(=O)N1CC[C@H](c2ccco2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906001 546631167 /nfs/dbraw/zinc/63/11/67/546631167.db2.gz HPPLXOXMEPGPFG-XDQVBPFNSA-N -1 0 334.416 2.914 10 0 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345.848 2.994 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[C@H](C)C(=O)[O-])cc1F ZINC000656171832 546707959 /nfs/dbraw/zinc/70/79/59/546707959.db2.gz ZFQMQCFDRYYGAG-STQMWFEESA-N -1 0 343.420 2.788 10 0 EFAERM CCc1ccc(S(=O)(=O)N2CCCC[C@H]2C[C@H](C)C(=O)[O-])cc1 ZINC000656171119 546708075 /nfs/dbraw/zinc/70/80/75/546708075.db2.gz VTXOJLCCMOUFSI-ZFWWWQNUSA-N -1 0 339.457 2.903 10 0 EFAERM CCc1cccc(S(=O)(=O)N2CCCC[C@H]2C[C@@H](C)C(=O)[O-])c1 ZINC000656173888 546708356 /nfs/dbraw/zinc/70/83/56/546708356.db2.gz NHFRQKDUKPSWEZ-HIFRSBDPSA-N -1 0 339.457 2.903 10 0 EFAERM CCc1ccc(S(=O)(=O)N2CCC[C@H](C[C@@H](C)C(=O)[O-])C2)s1 ZINC000656172376 546708426 /nfs/dbraw/zinc/70/84/26/546708426.db2.gz ZFTJCWVXDPOCDF-VXGBXAGGSA-N -1 0 345.486 2.822 10 0 EFAERM C[C@H](C[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000656173536 546708600 /nfs/dbraw/zinc/70/86/00/546708600.db2.gz KHAMSWXIEQBKRJ-MNOVXSKESA-N -1 0 347.383 2.619 10 0 EFAERM C[C@@H](C[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000656173538 546708674 /nfs/dbraw/zinc/70/86/74/546708674.db2.gz KHAMSWXIEQBKRJ-WDEREUQCSA-N -1 0 347.383 2.619 10 0 EFAERM Cc1cc(S(=O)(=O)N2CCC[C@@H](C[C@@H](C)C(=O)[O-])C2)c(C)s1 ZINC000656172019 546708712 /nfs/dbraw/zinc/70/87/12/546708712.db2.gz SKICOGCBWYAUSM-MFKMUULPSA-N -1 0 345.486 2.876 10 0 EFAERM Cc1ccsc1S(=O)(=O)N1CCCC[C@@H]1C[C@H](C)C(=O)[O-] ZINC000656174936 546709230 /nfs/dbraw/zinc/70/92/30/546709230.db2.gz ZOKNIHIHZVVYMY-NWDGAFQWSA-N -1 0 331.459 2.711 10 0 EFAERM Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C[C@@H](C)C(=O)[O-])c(C)o1 ZINC000656174870 546709358 /nfs/dbraw/zinc/70/93/58/546709358.db2.gz YQRTXCYUNFEILF-ZWNOBZJWSA-N -1 0 329.418 2.550 10 0 EFAERM Cc1cnc([N-]S(=O)(=O)Cc2cccc(Br)c2C)o1 ZINC000656182655 546712301 /nfs/dbraw/zinc/71/23/01/546712301.db2.gz SVHNNRYVTYNRKI-UHFFFAOYSA-N -1 0 345.218 2.996 10 0 EFAERM CCc1ccc(S(=O)(=O)[N-]c2cncc(OC(C)C)n2)s1 ZINC000656187288 546713931 /nfs/dbraw/zinc/71/39/31/546713931.db2.gz UJORARIXZXUYMK-UHFFFAOYSA-N -1 0 327.431 2.689 10 0 EFAERM Cc1c(F)cccc1S(=O)(=O)[N-]c1cncc(OC(C)C)n1 ZINC000656187358 546714238 /nfs/dbraw/zinc/71/42/38/546714238.db2.gz WPAQDFOAITUBKT-UHFFFAOYSA-N -1 0 325.365 2.512 10 0 EFAERM CC(C)Oc1cncc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000656187265 546714476 /nfs/dbraw/zinc/71/44/76/546714476.db2.gz SGUIJCBFOAJMLU-UHFFFAOYSA-N -1 0 333.413 2.553 10 0 EFAERM C[C@@](NC(=O)C[C@@H]1OCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000656233497 546733894 /nfs/dbraw/zinc/73/38/94/546733894.db2.gz DHRPSNPSXKPXFK-LPHOPBHVSA-N -1 0 325.364 2.764 10 0 EFAERM COc1ccccc1CC1CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC000656233704 546734111 /nfs/dbraw/zinc/73/41/11/546734111.db2.gz ULZPEVLPRJQNBZ-CQSZACIVSA-N -1 0 333.428 2.977 10 0 EFAERM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(OCC(F)(F)F)o1 ZINC000656234307 546735359 /nfs/dbraw/zinc/73/53/59/546735359.db2.gz YYNCFDVNEJHREQ-UHFFFAOYSA-N -1 0 337.294 2.794 10 0 EFAERM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@H]2OCc3ccccc32)C1 ZINC000656238970 546737804 /nfs/dbraw/zinc/73/78/04/546737804.db2.gz 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546813812 /nfs/dbraw/zinc/81/38/12/546813812.db2.gz XUJQFCCILHERCD-GFCCVEGCSA-N -1 0 333.157 2.774 10 0 EFAERM O=C([O-])[C@]1(CC(=O)Nc2ccc(Oc3ccncc3)cc2)CCOC1 ZINC000656479852 546814735 /nfs/dbraw/zinc/81/47/35/546814735.db2.gz GITNBOXRIURZKO-SFHVURJKSA-N -1 0 342.351 2.694 10 0 EFAERM CC(C)c1nc2cc(NC(=O)C[C@@]3(C(=O)[O-])CCOC3)ccc2o1 ZINC000656479412 546814887 /nfs/dbraw/zinc/81/48/87/546814887.db2.gz DLZGVHOUOJLWON-KRWDZBQOSA-N -1 0 332.356 2.771 10 0 EFAERM O=C(C[C@]1(C(=O)[O-])CCOC1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000656479100 546814894 /nfs/dbraw/zinc/81/48/94/546814894.db2.gz BWTREWIPSVTACN-FRQCXROJSA-N -1 0 331.412 2.710 10 0 EFAERM CCC[C@H](NC(=O)C[C@@]1(C(=O)[O-])CCOC1)c1ccc(F)cc1F ZINC000656481740 546815263 /nfs/dbraw/zinc/81/52/63/546815263.db2.gz VCNHNKKZLJBAKW-YOEHRIQHSA-N -1 0 341.354 2.804 10 0 EFAERM Cc1ccc(CNC(=O)C[C@]2(C(=O)[O-])CCOC2)c(OC(C)(C)C)c1 ZINC000656482152 546815270 /nfs/dbraw/zinc/81/52/70/546815270.db2.gz YLLHEXBYNMHJTP-LJQANCHMSA-N -1 0 349.427 2.670 10 0 EFAERM C[C@@H](NC(=O)C[C@@]1(C(=O)[O-])CCOC1)c1c(F)cccc1Cl ZINC000656480570 546815459 /nfs/dbraw/zinc/81/54/59/546815459.db2.gz ODWXTNPAAYVTFA-PSLIRLAXSA-N -1 0 329.755 2.538 10 0 EFAERM COc1c(Cl)cc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)cc1Cl ZINC000656482049 546815541 /nfs/dbraw/zinc/81/55/41/546815541.db2.gz VGJOSUUEMYBBTM-AWEZNQCLSA-N -1 0 348.182 2.822 10 0 EFAERM O=C([O-])[C@@]1(CC(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCOC1 ZINC000656481866 546815623 /nfs/dbraw/zinc/81/56/23/546815623.db2.gz VFXDCAKJYBAZJF-CQSZACIVSA-N -1 0 349.717 2.761 10 0 EFAERM Cc1ccc(-c2cccnc2)cc1NC(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000656483091 546815912 /nfs/dbraw/zinc/81/59/12/546815912.db2.gz SABJWAZLCVPWRH-LJQANCHMSA-N -1 0 340.379 2.877 10 0 EFAERM CCCCOc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)c(C)c1 ZINC000656482241 546816396 /nfs/dbraw/zinc/81/63/96/546816396.db2.gz XNHXCHBWZKXQLO-GOSISDBHSA-N -1 0 335.400 2.994 10 0 EFAERM CC(C)CCOc1cccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)c1 ZINC000656482327 546816422 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CC[C@H](C)Oc1cccc(S(=O)(=O)N(C)CC(C)(C)C(=O)[O-])c1 ZINC000656513766 546825886 /nfs/dbraw/zinc/82/58/86/546825886.db2.gz BDNPTDQXACKYBC-LBPRGKRZSA-N -1 0 343.445 2.595 10 0 EFAERM C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CCCCCC[C@H]1C(=O)[O-] ZINC000656515240 546826336 /nfs/dbraw/zinc/82/63/36/546826336.db2.gz CVZFHWGWAGYEBK-QWRGUYRKSA-N -1 0 345.383 2.624 10 0 EFAERM C[C@@H]1CCN(S(=O)(=O)c2sccc2Cl)C[C@@H]1CC(=O)[O-] ZINC000656522259 546828504 /nfs/dbraw/zinc/82/85/04/546828504.db2.gz YDIAQWCBMNWZHN-BDAKNGLRSA-N -1 0 337.850 2.523 10 0 EFAERM C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)F)cc2)C[C@@H]1CC(=O)[O-] ZINC000656522429 546828567 /nfs/dbraw/zinc/82/85/67/546828567.db2.gz ZXBAOZUFFLJJSZ-JQWIXIFHSA-N -1 0 347.383 2.746 10 0 EFAERM C[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@@H]1CC(=O)[O-] ZINC000656523699 546828688 /nfs/dbraw/zinc/82/86/88/546828688.db2.gz OFWNCWACLRQKNT-ZJUUUORDSA-N -1 0 349.811 2.601 10 0 EFAERM Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C)[C@@H](CC(=O)[O-])C1 ZINC000656521964 546828695 /nfs/dbraw/zinc/82/86/95/546828695.db2.gz AVBRWQKRZIIKKL-JQWIXIFHSA-N -1 0 345.848 2.770 10 0 EFAERM C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@H]1CC(=O)[O-] ZINC000656524926 546829145 /nfs/dbraw/zinc/82/91/45/546829145.db2.gz XVRYINIXJFQEDG-NXEZZACHSA-N -1 0 349.811 2.601 10 0 EFAERM CCc1ccc(CS(=O)(=O)N2CC[C@@H](C)[C@@H](CC(=O)[O-])C2)cc1 ZINC000656524164 546829452 /nfs/dbraw/zinc/82/94/52/546829452.db2.gz RLDQFIGXNATETJ-CJNGLKHVSA-N -1 0 339.457 2.512 10 0 EFAERM CC[C@H](C)c1ccc(S(=O)(=O)N2CC3(C)CC2(C(=O)[O-])C3)cc1 ZINC000656524201 546829466 /nfs/dbraw/zinc/82/94/66/546829466.db2.gz SERLOLATFAPLHR-CDEQTRAXSA-N -1 0 337.441 2.828 10 0 EFAERM Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](CC(=O)[O-])C2)cc(C)c1F ZINC000656525066 546829727 /nfs/dbraw/zinc/82/97/27/546829727.db2.gz YJKVVNNCVQRONH-MFKMUULPSA-N -1 0 343.420 2.564 10 0 EFAERM Cc1ccc(S(=O)(=O)N2CC3(CCCC3)[C@H]2C(=O)[O-])cc1Cl ZINC000656527322 546830492 /nfs/dbraw/zinc/83/04/92/546830492.db2.gz YBQWUZIYKFKMMP-CYBMUJFWSA-N -1 0 343.832 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727316228 /nfs/dbraw/zinc/31/62/28/727316228.db2.gz NMHFWVRWBUIBEZ-ILXRZTDVSA-N -1 0 336.457 2.828 10 0 EFAERM COc1ccc(CNC(=O)N(CC(=O)[O-])C2CCCCC2)c(F)c1 ZINC000909062328 727316758 /nfs/dbraw/zinc/31/67/58/727316758.db2.gz COVXUVKTNGCYHK-UHFFFAOYSA-N -1 0 338.379 2.763 10 0 EFAERM COC1CCC(NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])CC1 ZINC000909067436 727318069 /nfs/dbraw/zinc/31/80/69/727318069.db2.gz RWWDKWZWDIKOEL-JEYLPNPQSA-N -1 0 334.416 2.629 10 0 EFAERM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)c1ccccc1 ZINC000909067324 727318227 /nfs/dbraw/zinc/31/82/27/727318227.db2.gz RARXIDDUEVJUHS-IGCXYCKISA-N -1 0 341.411 2.657 10 0 EFAERM O=C([O-])C12CC(C1)CN2C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000909083156 727319280 /nfs/dbraw/zinc/31/92/80/727319280.db2.gz IULASMIAGCTCDP-UHFFFAOYSA-N -1 0 344.745 2.690 10 0 EFAERM CC(C)(C)OCC[C@@H](NC(=O)NC[C@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000909084649 727319601 /nfs/dbraw/zinc/31/96/01/727319601.db2.gz GCMYBSWXROYHSL-BZUAXINKSA-N -1 0 348.443 2.748 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CCC1(O)CCC(NC(=O)N[C@@H](CCCC(C)C)C(=O)[O-])CC1 ZINC000909145324 727336006 /nfs/dbraw/zinc/33/60/06/727336006.db2.gz LJUWTBKFCJEQET-UUCFBXCCSA-N -1 0 328.453 2.649 10 0 EFAERM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000909146989 727336484 /nfs/dbraw/zinc/33/64/84/727336484.db2.gz SIALCBMGBOTCCA-ILXRZTDVSA-N -1 0 328.453 2.578 10 0 EFAERM Cc1[nH]nc(C(C)C)c1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909174656 727337180 /nfs/dbraw/zinc/33/71/80/727337180.db2.gz KXEXODUCSHJANH-AWEZNQCLSA-N -1 0 329.400 2.515 10 0 EFAERM CCCCn1ncc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])c1C ZINC000909175255 727337392 /nfs/dbraw/zinc/33/73/92/727337392.db2.gz QYLBRZXSWSQATL-INIZCTEOSA-N -1 0 343.427 2.665 10 0 EFAERM CC(C)c1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000909179478 727337995 /nfs/dbraw/zinc/33/79/95/727337995.db2.gz NRGFEOBEJODUQT-MRXNPFEDSA-N -1 0 326.396 2.878 10 0 EFAERM C[C@@](Cc1ccc(F)cc1)(NC(=O)NC1CC2(CCC2)C1)C(=O)[O-] ZINC000909178732 727338005 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