smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c([O-])c1O ZINC001587477831 1092815835 /nfs/dbraw/zinc/81/58/35/1092815835.db2.gz ICFBZAWLDYHYEE-UHFFFAOYSA-N -1 3 326.352 2.551 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC001597704150 1094615424 /nfs/dbraw/zinc/61/54/24/1094615424.db2.gz MXXIRXGTAIJUMC-MRXNPFEDSA-N -1 3 327.380 2.511 10 10 EFCEHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1c(F)cccc1Cl ZINC001622547275 1099524048 /nfs/dbraw/zinc/52/40/48/1099524048.db2.gz WNLKLVMVUZTJLX-XLKFXECMSA-N -1 3 339.750 2.742 10 10 EFCEHM CCCN(C(=O)c1cccc(O)c1[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC001627136150 1099961193 /nfs/dbraw/zinc/96/11/93/1099961193.db2.gz FWVHJKSNLISUKZ-CYBMUJFWSA-N -1 3 342.395 2.977 10 10 EFCEHM CCc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c([O-])c1 ZINC001632611759 1100488856 /nfs/dbraw/zinc/48/88/56/1100488856.db2.gz JRAUVCHVMFJDTQ-HNNXBMFYSA-N -1 3 340.423 2.972 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC001632953369 1100510594 /nfs/dbraw/zinc/51/05/94/1100510594.db2.gz NOCISXOYWNENML-CQSZACIVSA-N -1 3 335.306 2.590 10 10 EFCEHM Cc1ccc(C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)c([O-])c1O ZINC001633329733 1100536692 /nfs/dbraw/zinc/53/66/92/1100536692.db2.gz YRBYLZZUHXBLID-SFHVURJKSA-N -1 3 342.351 2.614 10 10 EFCEHM COc1cccc([O-])c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001635964524 1100690504 /nfs/dbraw/zinc/69/05/04/1100690504.db2.gz RPUKZJASYCDIDI-UHFFFAOYSA-N -1 3 327.380 2.915 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cnc(-c2ccccn2)s1 ZINC001638862833 1100891945 /nfs/dbraw/zinc/89/19/45/1100891945.db2.gz DXCXTZAAFHVYSN-UHFFFAOYSA-N -1 3 329.356 2.980 10 10 EFCEHM COC(=O)[C@H]1CSCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000840977945 1102648976 /nfs/dbraw/zinc/64/89/76/1102648976.db2.gz OBEFOZDAHCNYOR-SNVBAGLBSA-N -1 3 333.812 2.523 10 10 EFCEHM COC(=O)[C@@H]1CSCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000840977944 1102649525 /nfs/dbraw/zinc/64/95/25/1102649525.db2.gz OBEFOZDAHCNYOR-JTQLQIEISA-N -1 3 333.812 2.523 10 10 EFCEHM O=C(NCc1noc(-c2cccs2)n1)NCc1c([O-])cccc1F ZINC001674030355 1106126738 /nfs/dbraw/zinc/12/67/38/1106126738.db2.gz DTZDACFZIRCULV-UHFFFAOYSA-N -1 3 348.359 2.642 10 10 EFCEHM COc1ccc(F)cc1CCNC(=O)NCc1c([O-])cccc1F ZINC001676054949 1106477631 /nfs/dbraw/zinc/47/76/31/1106477631.db2.gz IVVPNJGBRRXDHE-UHFFFAOYSA-N -1 3 336.338 2.721 10 10 EFCEHM Cc1ccc2c(c1)nc(CNC(=O)NCc1c([O-])cccc1F)n2C ZINC001682483685 1108619370 /nfs/dbraw/zinc/61/93/70/1108619370.db2.gz JOQDRKZYTJEKSD-UHFFFAOYSA-N -1 3 342.374 2.726 10 10 EFCEHM COC(=O)c1cc(OC(C)C)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001649017974 1111843729 /nfs/dbraw/zinc/84/37/29/1111843729.db2.gz DKKINBYHWJZLIH-UHFFFAOYSA-N -1 3 345.351 2.924 10 10 EFCEHM NC(=O)[C@H]1Cc2ccccc2CN1Cc1c([O-])ccc2ccccc21 ZINC000035421635 202301995 /nfs/dbraw/zinc/30/19/95/202301995.db2.gz OQFDWBRCNROOGY-LJQANCHMSA-N -1 3 332.403 2.958 10 10 EFCEHM COc1ccnc(NC2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000191689891 240003970 /nfs/dbraw/zinc/00/39/70/240003970.db2.gz KPISXYHSZKQGRQ-UHFFFAOYSA-N -1 3 348.834 2.921 10 10 EFCEHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000193092459 240085305 /nfs/dbraw/zinc/08/53/05/240085305.db2.gz ZNXLUGVTTVYLQL-MEDUHNTESA-N -1 3 331.343 2.839 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000193073301 240082610 /nfs/dbraw/zinc/08/26/10/240082610.db2.gz QNUPTFSDUBTSOD-UHFFFAOYSA-N -1 3 331.343 2.921 10 10 EFCEHM CCS(=O)(=O)C1CCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000195157658 240206655 /nfs/dbraw/zinc/20/66/55/240206655.db2.gz QQLXIUHGSGQUNU-UHFFFAOYSA-N -1 3 331.865 2.753 10 10 EFCEHM O=C(NC1CCN(Cc2ccsc2)CC1)c1cccc(O)c1[O-] ZINC000225733291 242011049 /nfs/dbraw/zinc/01/10/49/242011049.db2.gz HCHADTPDBDZKCP-UHFFFAOYSA-N -1 3 332.425 2.554 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CC(O)(c3ccc(F)cc3)C2)c1[O-] ZINC000364326725 242296598 /nfs/dbraw/zinc/29/65/98/242296598.db2.gz HMPSNIHJGZXMIS-UHFFFAOYSA-N -1 3 333.334 2.576 10 10 EFCEHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1c([O-])ccc(Cl)c1F ZINC000364862530 242309738 /nfs/dbraw/zinc/30/97/38/242309738.db2.gz QWHCCWODZPPZQO-WDEREUQCSA-N -1 3 345.798 2.727 10 10 EFCEHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1c([O-])ccc(Cl)c1F ZINC000364862518 242309840 /nfs/dbraw/zinc/30/98/40/242309840.db2.gz QWHCCWODZPPZQO-GHMZBOCLSA-N -1 3 345.798 2.727 10 10 EFCEHM COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177105357 533390380 /nfs/dbraw/zinc/39/03/80/533390380.db2.gz CKCAXPDKJSNNFW-NSHDSACASA-N -1 3 325.792 2.633 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000247297053 278243813 /nfs/dbraw/zinc/24/38/13/278243813.db2.gz ULVFZZIFYFELGJ-HUUCEWRRSA-N -1 3 341.860 2.955 10 10 EFCEHM CCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc21 ZINC000184988355 473292977 /nfs/dbraw/zinc/29/29/77/473292977.db2.gz CPOMLFKYDWSLNO-UHFFFAOYSA-N -1 3 340.379 2.958 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCC(n3cncn3)CC2)c1[O-] ZINC000177271949 473344672 /nfs/dbraw/zinc/34/46/72/473344672.db2.gz WBNPPARHORCNDB-UHFFFAOYSA-N -1 3 334.807 2.677 10 10 EFCEHM C[C@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000185281493 473384543 /nfs/dbraw/zinc/38/45/43/473384543.db2.gz GMBFDGXFZOTFLN-LBPRGKRZSA-N -1 3 349.381 2.753 10 10 EFCEHM Cc1ccccc1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055106948 472140645 /nfs/dbraw/zinc/14/06/45/472140645.db2.gz WCOQRDWGZCNLBQ-GFCCVEGCSA-N -1 3 348.424 2.563 10 10 EFCEHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(N2CCN(C)CC2)cc1 ZINC000055709766 472227974 /nfs/dbraw/zinc/22/79/74/472227974.db2.gz NVZAHSLFKKAVTD-OAHLLOKOSA-N -1 3 339.439 2.635 10 10 EFCEHM [O-]c1ccc(Cl)c(F)c1CN1CCCN(c2cccnn2)CC1 ZINC000191333324 473528036 /nfs/dbraw/zinc/52/80/36/473528036.db2.gz PNNAXTJSVIGQBG-UHFFFAOYSA-N -1 3 336.798 2.687 10 10 EFCEHM Cc1cc(CN2CCN(Cc3cc(Cl)cc(C)c3[O-])CC2)on1 ZINC000179633240 473701077 /nfs/dbraw/zinc/70/10/77/473701077.db2.gz YPSPSNXRJGMFCZ-UHFFFAOYSA-N -1 3 335.835 2.968 10 10 EFCEHM CCn1cc(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cn1 ZINC000182480453 474185962 /nfs/dbraw/zinc/18/59/62/474185962.db2.gz JXHLJWKSMWEXIL-UHFFFAOYSA-N -1 3 329.400 2.642 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282899269 474235971 /nfs/dbraw/zinc/23/59/71/474235971.db2.gz WQVDDRFYJQXPNW-ZDUSSCGKSA-N -1 3 341.411 2.650 10 10 EFCEHM [O-]c1cccc(Cl)c1CN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000271379797 474516841 /nfs/dbraw/zinc/51/68/41/474516841.db2.gz RGYKQEQXWAISSP-LRDDRELGSA-N -1 3 337.803 2.963 10 10 EFCEHM COc1c([O-])c(CNc2ccc(N3CCCC3)nc2)ccc1[N+](=O)[O-] ZINC000278486005 474658137 /nfs/dbraw/zinc/65/81/37/474658137.db2.gz KHXQNMLYHSVFKG-UHFFFAOYSA-N -1 3 344.371 2.916 10 10 EFCEHM C[C@@H](C(=O)Nc1ccc([O-])c(CN2CCOCC2)c1)c1ccccc1 ZINC000252571075 474697490 /nfs/dbraw/zinc/69/74/90/474697490.db2.gz XQFTVWZPNVXQMT-OAHLLOKOSA-N -1 3 340.423 2.967 10 10 EFCEHM CN1CC[C@@H](NC(=O)c2ccc([O-])c(O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000253370082 474728066 /nfs/dbraw/zinc/72/80/66/474728066.db2.gz LSYOXLAYZMJQKP-RHSMWYFYSA-N -1 3 346.814 2.926 10 10 EFCEHM C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595045 474980934 /nfs/dbraw/zinc/98/09/34/474980934.db2.gz QEERVDDFQFGCBF-WBMJQRKESA-N -1 3 341.367 2.757 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000280613468 475039132 /nfs/dbraw/zinc/03/91/32/475039132.db2.gz VZQHWCJDBVVQET-GOSISDBHSA-N -1 3 337.391 2.504 10 10 EFCEHM C[C@H]1CN(C2CCOCC2)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000294766305 475081678 /nfs/dbraw/zinc/08/16/78/475081678.db2.gz SNESSTIXZOLLKC-LBPRGKRZSA-N -1 3 342.842 2.870 10 10 EFCEHM Cc1cc(Cl)cc(CN[C@H](c2nccn2C)C(C)(C)CO)c1[O-] ZINC000294923278 475092491 /nfs/dbraw/zinc/09/24/91/475092491.db2.gz BBBUVWZEKQOLMJ-OAHLLOKOSA-N -1 3 337.851 2.937 10 10 EFCEHM CCCNC(=O)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295321357 475120204 /nfs/dbraw/zinc/12/02/04/475120204.db2.gz LJNBZQZHBRTTJW-LLVKDONJSA-N -1 3 328.815 2.923 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCN(c3nccnc3C)CC2)c1[O-] ZINC000374216519 476462117 /nfs/dbraw/zinc/46/21/17/476462117.db2.gz KMLOEFWBSOCSFZ-UHFFFAOYSA-N -1 3 332.835 2.775 10 10 EFCEHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000370367986 476776149 /nfs/dbraw/zinc/77/61/49/476776149.db2.gz RIGHXMYKPRAGHU-UONOGXRCSA-N -1 3 327.808 2.506 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375874054 477058350 /nfs/dbraw/zinc/05/83/50/477058350.db2.gz LREDZBUVWXRBAQ-UHFFFAOYSA-N -1 3 348.349 2.729 10 10 EFCEHM Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c([O-])c1O ZINC000368086304 477784326 /nfs/dbraw/zinc/78/43/26/477784326.db2.gz PCFUHTDWWWOJIL-CVEARBPZSA-N -1 3 344.386 2.721 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC(Nc3cccnn3)CC2)c1[O-] ZINC000175644650 527208843 /nfs/dbraw/zinc/20/88/43/527208843.db2.gz QCJJDNQLQQXHHU-UHFFFAOYSA-N -1 3 344.390 2.600 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000079498221 527210349 /nfs/dbraw/zinc/21/03/49/527210349.db2.gz IQDCQQZQYNMHOM-LBPRGKRZSA-N -1 3 337.391 2.898 10 10 EFCEHM COc1cccc2c1CCN(C(=O)c1ccc(C)c(O)c1[O-])CC2 ZINC000192594839 536941163 /nfs/dbraw/zinc/94/11/63/536941163.db2.gz SHHCPVLIKHCIMH-UHFFFAOYSA-N -1 3 327.380 2.656 10 10 EFCEHM COc1cccc2c1C(=O)c1ccc3cc(CO)cc([O-])c3c1C2=O ZINC000004654729 560199103 /nfs/dbraw/zinc/19/91/03/560199103.db2.gz IWDFTRSGZDSLDE-UHFFFAOYSA-N -1 3 334.327 2.822 10 10 in-vitro EFCEHM CO[C@@H]1CC[C@H]2OCCN(Cc3c([O-])ccc4ccncc43)[C@H]2C1 ZINC000754797326 575492460 /nfs/dbraw/zinc/49/24/60/575492460.db2.gz NTIDTXIXDRCFAG-DKSSEZFCSA-N -1 3 328.412 2.709 10 10 EFCEHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000761981574 576237418 /nfs/dbraw/zinc/23/74/18/576237418.db2.gz HNIFDLMPZFNUFY-LLVKDONJSA-N -1 3 338.363 2.733 10 10 EFCEHM O=C(NCCc1ccc(O)c(O)c1)c1cc2c(cc1[O-])CCCC2 ZINC000762263267 576282637 /nfs/dbraw/zinc/28/26/37/576282637.db2.gz DFMLUVVQLQWEPM-UHFFFAOYSA-N -1 3 327.380 2.655 10 10 EFCEHM CCOc1ccc(CN[C@@H](C)c2nnc3n2CCCCC3)c([O-])c1 ZINC000725845326 577246558 /nfs/dbraw/zinc/24/65/58/577246558.db2.gz WNNBNWOLCPPMJJ-ZDUSSCGKSA-N -1 3 330.432 2.960 10 10 EFCEHM C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768448301 577274860 /nfs/dbraw/zinc/27/48/60/577274860.db2.gz BTSXAESHNBIJMP-CFSSXQINSA-N -1 3 341.407 2.780 10 10 EFCEHM Cc1csc(C2(NCc3cc4c(cc3[O-])OC[C@H]4O)CCC2)n1 ZINC000768464901 577276250 /nfs/dbraw/zinc/27/62/50/577276250.db2.gz GFHNVJPUQYFVFV-CQSZACIVSA-N -1 3 332.425 2.752 10 10 EFCEHM COCCOc1cc2c(cc1CN(C)Cc1ccccc1[O-])OCO2 ZINC000768872843 577312445 /nfs/dbraw/zinc/31/24/45/577312445.db2.gz KGAOMEODWZIJHB-UHFFFAOYSA-N -1 3 345.395 2.778 10 10 EFCEHM CCOc1ccc(CN(C)Cc2nc(-c3cccnc3)no2)c([O-])c1 ZINC000769403508 577359886 /nfs/dbraw/zinc/35/98/86/577359886.db2.gz CRTIWJFEQHLNAA-UHFFFAOYSA-N -1 3 340.383 2.868 10 10 EFCEHM O=C(c1cc([O-])cs1)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000771418022 581210081 /nfs/dbraw/zinc/21/00/81/581210081.db2.gz MWALDUBHNXOMNW-AWEZNQCLSA-N -1 3 348.468 2.709 10 10 EFCEHM [O-]c1ccc2ccncc2c1CN1CCN(c2ccc(F)cn2)CC1 ZINC000774650445 581496501 /nfs/dbraw/zinc/49/65/01/581496501.db2.gz PHAVVLBHRIHCKJ-UHFFFAOYSA-N -1 3 338.386 2.797 10 10 EFCEHM Cc1cccc2c1OC[C@H](NC(=O)NCc1c([O-])cccc1F)C2 ZINC000922548917 1266227059 /nfs/dbraw/zinc/22/70/59/1266227059.db2.gz NXIVDTJFXYKKJC-CYBMUJFWSA-N -1 3 330.359 2.643 10 10 EFCEHM O=C(NCCCSc1nccs1)c1cc(=O)c2ccccc2[n-]1 ZINC000733975135 1266797977 /nfs/dbraw/zinc/79/79/77/1266797977.db2.gz WNBCBNZGQJWORP-UHFFFAOYSA-N -1 3 345.449 2.897 10 10 EFCEHM [O-]c1cc(Br)ccc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000824855424 1278316698 /nfs/dbraw/zinc/31/66/98/1278316698.db2.gz KAWWCVMWHKRDPM-NSHDSACASA-N -1 3 340.139 2.654 10 10 EFCEHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000843936792 1278687725 /nfs/dbraw/zinc/68/77/25/1278687725.db2.gz UPGLQAXWLMBPQX-DGCLKSJQSA-N -1 3 335.400 2.538 10 10 EFCEHM CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000844045702 1278731374 /nfs/dbraw/zinc/73/13/74/1278731374.db2.gz WMLUNMDJNLGMCD-UHFFFAOYSA-N -1 3 335.400 2.682 10 10 EFCEHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1(F)CC1 ZINC000843831132 1275415710 /nfs/dbraw/zinc/41/57/10/1275415710.db2.gz MRTPFXXRRPEFAL-ZDUSSCGKSA-N -1 3 326.799 2.628 10 10 EFCEHM C[C@@H](NCc1cc(C(N)=O)co1)c1cccc(C(F)(F)F)c1[O-] ZINC000788768052 1276296256 /nfs/dbraw/zinc/29/62/56/1276296256.db2.gz YWELWCGJNVKMFR-MRVPVSSYSA-N -1 3 328.290 2.954 10 10 EFCEHM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790739299 1277754060 /nfs/dbraw/zinc/75/40/60/1277754060.db2.gz YNMHOGNEIVCHTA-ZDUSSCGKSA-N -1 3 343.379 2.549 10 10 EFCEHM CC(C)CCC1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000846254538 1280088924 /nfs/dbraw/zinc/08/89/24/1280088924.db2.gz FTWPCQAJWKSESG-UHFFFAOYSA-N -1 3 346.431 2.781 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@](C)(c2noc(C)n2)C2CC2)c1[O-] ZINC000814670991 1286912365 /nfs/dbraw/zinc/91/23/65/1286912365.db2.gz NOKODIJSFIYSLE-KRWDZBQOSA-N -1 3 333.363 2.840 10 10 EFCEHM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573713 1288212829 /nfs/dbraw/zinc/21/28/29/1288212829.db2.gz IRGQLRAMRPTBBY-NEPJUHHUSA-N -1 3 345.798 2.727 10 10 EFCEHM Cc1cc(CNC(=O)c2cc(=O)[n-]cn2)c(C)n1-c1cccc(C)c1 ZINC001170858132 1288509898 /nfs/dbraw/zinc/50/98/98/1288509898.db2.gz NLDIOVMDFUEGPJ-UHFFFAOYSA-N -1 3 336.395 2.828 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000093611448 1291179893 /nfs/dbraw/zinc/17/98/93/1291179893.db2.gz AWQPXLSBRJVQAC-LLVKDONJSA-N -1 3 340.139 2.654 10 10 EFCEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775409766 1292299476 /nfs/dbraw/zinc/29/94/76/1292299476.db2.gz GUDUCSLNSLJORZ-LBPRGKRZSA-N -1 3 341.411 2.908 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCO[C@H](C(F)(F)F)CC2)c1[O-] ZINC000880047590 1292346519 /nfs/dbraw/zinc/34/65/19/1292346519.db2.gz VDXZAQVFYGWNGC-ZDUSSCGKSA-N -1 3 335.297 2.887 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c1[O-] ZINC000796303697 1292820680 /nfs/dbraw/zinc/82/06/80/1292820680.db2.gz CSFPPNKRSWLFOG-OQPBUACISA-N -1 3 335.297 2.886 10 10 EFCEHM CCn1cc(C(=O)NCc2c([O-])cccc2F)c(C(F)(F)F)n1 ZINC000928708534 1297126542 /nfs/dbraw/zinc/12/65/42/1297126542.db2.gz NTQVGIJSCPAQDE-UHFFFAOYSA-N -1 3 331.269 2.697 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCO[C@H](CC(F)(F)F)C2)c1[O-] ZINC000852740470 1299850522 /nfs/dbraw/zinc/85/05/22/1299850522.db2.gz BVQFKZLLWMCNRC-GFCCVEGCSA-N -1 3 335.297 2.887 10 10 EFCEHM C[C@H](NCc1nnc(C2CCOCC2)[nH]1)c1cc(F)cc(F)c1[O-] ZINC000866440498 1303639847 /nfs/dbraw/zinc/63/98/47/1303639847.db2.gz GNBDZEMCIHRHND-VIFPVBQESA-N -1 3 338.358 2.533 10 10 EFCEHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1c([O-])cccc1F ZINC001303879329 1324624826 /nfs/dbraw/zinc/62/48/26/1324624826.db2.gz YCGBLNJWJSIHNT-UHFFFAOYSA-N -1 3 336.344 2.848 10 10 EFCEHM O=C(NCc1c(O)cccc1O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001304053936 1324634791 /nfs/dbraw/zinc/63/47/91/1324634791.db2.gz WUQOQLSQFASFCH-UHFFFAOYSA-N -1 3 344.754 2.523 10 10 EFCEHM [O-]c1cc(Br)ccc1CN1CCO[C@@]2(CCSC2)C1 ZINC001350626595 1333104356 /nfs/dbraw/zinc/10/43/56/1333104356.db2.gz MNOXVNBMTFNBID-AWEZNQCLSA-N -1 3 344.274 2.863 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N(Cc1cncs1)Cc1cncs1 ZINC001456433980 1394691645 /nfs/dbraw/zinc/69/16/45/1394691645.db2.gz GOTDTUQDVXUREK-UHFFFAOYSA-N -1 3 347.421 2.853 10 10 EFCEHM CC(C)n1nnnc1-c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001470536325 1397097371 /nfs/dbraw/zinc/09/73/71/1397097371.db2.gz VMZUZMINYCQBSO-UHFFFAOYSA-N -1 3 339.355 2.585 10 10 EFCEHM Cc1ccc(Br)nc1C(=O)NCc1c([O-])cccc1F ZINC001558454486 1415180504 /nfs/dbraw/zinc/18/05/04/1415180504.db2.gz HNSXKOGGXBNVDU-UHFFFAOYSA-N -1 3 339.164 2.927 10 10 EFCEHM O=C(Cc1cccnc1Br)NCc1c([O-])cccc1F ZINC001558455511 1415180760 /nfs/dbraw/zinc/18/07/60/1415180760.db2.gz VUJJWDAUKCKJMJ-UHFFFAOYSA-N -1 3 339.164 2.548 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cccc(N2CCCC2=O)c1 ZINC001646028292 1416602922 /nfs/dbraw/zinc/60/29/22/1416602922.db2.gz DDGKOPFQCLHEDZ-UHFFFAOYSA-N -1 3 328.343 2.588 10 10 EFCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001685240079 1416754683 /nfs/dbraw/zinc/75/46/83/1416754683.db2.gz WFEMXXVJENXSEJ-SNVBAGLBSA-N -1 3 333.319 3.000 10 10 EFCEHM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000935945619 718750935 /nfs/dbraw/zinc/75/09/35/718750935.db2.gz DOLMLCKSEHFJFW-UHFFFAOYSA-N -1 3 334.368 2.716 10 10 EFCEHM CC(C)(C)OC(=O)C1(C(=O)NCc2c([O-])cccc2F)CC=CC1 ZINC000928712577 724590437 /nfs/dbraw/zinc/59/04/37/724590437.db2.gz SDQVRIGOPBFSAA-UHFFFAOYSA-N -1 3 335.375 2.826 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1c(C)ccnc1N ZINC000894015099 720227891 /nfs/dbraw/zinc/22/78/91/720227891.db2.gz YHNPHNJPHURGSK-UHFFFAOYSA-N -1 3 349.818 2.506 10 10 EFCEHM COc1c([O-])c(CNCc2cnc(Cl)s2)ccc1[N+](=O)[O-] ZINC000895154364 723478671 /nfs/dbraw/zinc/47/86/71/723478671.db2.gz YFNIEBKUUOYMHR-UHFFFAOYSA-N -1 3 329.765 2.709 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCN(c2ccccc2)C1 ZINC000918947702 728945313 /nfs/dbraw/zinc/94/53/13/728945313.db2.gz QKGAEUUADQFZQE-AWEZNQCLSA-N -1 3 343.402 3.000 10 10 EFCEHM CC(C)Oc1ccc(CNC(=O)NCc2c([O-])cccc2F)cn1 ZINC000914108937 726050325 /nfs/dbraw/zinc/05/03/25/726050325.db2.gz OEEXIKMDPFVLEX-UHFFFAOYSA-N -1 3 333.363 2.713 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000912180766 727670187 /nfs/dbraw/zinc/67/01/87/727670187.db2.gz QBXJDKJJYVJSAR-IRXDYDNUSA-N -1 3 341.407 2.696 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000912180764 727670315 /nfs/dbraw/zinc/67/03/15/727670315.db2.gz QBXJDKJJYVJSAR-IAGOWNOFSA-N -1 3 341.407 2.696 10 10 EFCEHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NCc1c([O-])cccc1F ZINC000919143667 728979392 /nfs/dbraw/zinc/97/93/92/728979392.db2.gz LMXSCDMMMQKJHB-HNNXBMFYSA-N -1 3 330.363 2.507 10 10 EFCEHM COc1ccccc1O[C@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000920736109 729225546 /nfs/dbraw/zinc/22/55/46/729225546.db2.gz QRYBCNSQPYFGMB-GFCCVEGCSA-N -1 3 348.374 2.807 10 10 EFCEHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(OC2CC2)cc1 ZINC000921451988 729460864 /nfs/dbraw/zinc/46/08/64/729460864.db2.gz ZYBYYXILIRFCOY-UHFFFAOYSA-N -1 3 337.372 2.551 10 10 EFCEHM O=S(=O)(CC[C@H]1CC1(Cl)Cl)NCc1c([O-])cccc1F ZINC000921451614 729460887 /nfs/dbraw/zinc/46/08/87/729460887.db2.gz SQTYCSJLGKFGDU-QMMMGPOBSA-N -1 3 342.219 2.535 10 10 EFCEHM CN(c1ccc(CNC(=O)c2cnncc2[O-])cc1)C1CCCCC1 ZINC001583703309 1092058839 /nfs/dbraw/zinc/05/88/39/1092058839.db2.gz ANBVEFPBIKMZGH-UHFFFAOYSA-N -1 3 340.427 2.881 10 10 EFCEHM CC(C)(C)C1=CCN(CCNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000828846876 1093276174 /nfs/dbraw/zinc/27/61/74/1093276174.db2.gz WRXIXUSBPYWUNM-UHFFFAOYSA-N -1 3 336.407 2.645 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001596916126 1094552888 /nfs/dbraw/zinc/55/28/88/1094552888.db2.gz AAGUHUIWDNEVEN-CQSZACIVSA-N -1 3 343.276 2.900 10 10 EFCEHM O=C(CCc1nnc(-c2ccccc2)o1)NCc1c([O-])cccc1F ZINC001596912048 1094552930 /nfs/dbraw/zinc/55/29/30/1094552930.db2.gz LAYMTNYVBUGPOW-UHFFFAOYSA-N -1 3 341.342 2.830 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1c(F)cccc1-n1cccn1 ZINC001596912025 1094553376 /nfs/dbraw/zinc/55/33/76/1094553376.db2.gz KOOVTFYMCAEJSF-UHFFFAOYSA-N -1 3 329.306 2.786 10 10 EFCEHM CN(Cc1nnc(-c2ccccc2[O-])o1)c1ccc2c(c1)OCO2 ZINC001616389720 1099178427 /nfs/dbraw/zinc/17/84/27/1099178427.db2.gz RDQWSYMBTQIOHG-UHFFFAOYSA-N -1 3 325.324 2.807 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2NC(=O)C[C@@H]2c2ccccc2)c1[O-] ZINC001620692373 1099371405 /nfs/dbraw/zinc/37/14/05/1099371405.db2.gz WJVVSVGUKHIVTF-MRXNPFEDSA-N -1 3 328.343 2.712 10 10 EFCEHM CCCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC001627136151 1099961273 /nfs/dbraw/zinc/96/12/73/1099961273.db2.gz FWVHJKSNLISUKZ-ZDUSSCGKSA-N -1 3 342.395 2.977 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC001632953368 1100510750 /nfs/dbraw/zinc/51/07/50/1100510750.db2.gz NOCISXOYWNENML-AWEZNQCLSA-N -1 3 335.306 2.590 10 10 EFCEHM O=C(Cc1ccn(-c2ccccc2)n1)NCc1c([O-])cccc1F ZINC001635360875 1100656869 /nfs/dbraw/zinc/65/68/69/1100656869.db2.gz SRUOGYDDDDOKDU-UHFFFAOYSA-N -1 3 325.343 2.576 10 10 EFCEHM O=C(NCc1ccc(O)cc1O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001638351679 1100851563 /nfs/dbraw/zinc/85/15/63/1100851563.db2.gz BMDXHCHSBHHQTG-UHFFFAOYSA-N -1 3 344.754 2.523 10 10 EFCEHM CCc1noc([C@@H]2CC[C@@H](NC(=O)NCc3c([O-])cccc3F)C2)n1 ZINC001638743973 1100883146 /nfs/dbraw/zinc/88/31/46/1100883146.db2.gz WDRAOONYOBYARX-GHMZBOCLSA-N -1 3 348.378 2.612 10 10 EFCEHM CCc1noc([C@H]2CC[C@H](NC(=O)NCc3c([O-])cccc3F)C2)n1 ZINC001638743975 1100883418 /nfs/dbraw/zinc/88/34/18/1100883418.db2.gz WDRAOONYOBYARX-QWRGUYRKSA-N -1 3 348.378 2.612 10 10 EFCEHM O=C(C[C@H]1CC(=O)Nc2ccccc21)NCc1c([O-])cccc1F ZINC001638866778 1100892007 /nfs/dbraw/zinc/89/20/07/1100892007.db2.gz MJOPEONCSXIZPA-NSHDSACASA-N -1 3 328.343 2.664 10 10 EFCEHM CCc1ccccc1-n1cc(C(=O)NCc2c([O-])cccc2F)nn1 ZINC001652298698 1101471071 /nfs/dbraw/zinc/47/10/71/1101471071.db2.gz NMQDSOKENUFWDC-UHFFFAOYSA-N -1 3 340.358 2.604 10 10 EFCEHM CC(=O)N1CCc2cc(NC(=O)NCc3c([O-])cccc3F)ccc21 ZINC001657633948 1102400147 /nfs/dbraw/zinc/40/01/47/1102400147.db2.gz AYUSAPFQBAADQN-UHFFFAOYSA-N -1 3 343.358 2.762 10 10 EFCEHM O=C(NCc1ccc(OC(F)F)cn1)NCc1c([O-])cccc1F ZINC001672297432 1105795279 /nfs/dbraw/zinc/79/52/79/1105795279.db2.gz VMIRYSQUCOMUTK-UHFFFAOYSA-N -1 3 341.289 2.527 10 10 EFCEHM C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841890753 1105843436 /nfs/dbraw/zinc/84/34/36/1105843436.db2.gz FHJKAILVKYIYJR-WDEREUQCSA-N -1 3 333.259 2.586 10 10 EFCEHM COc1ccccc1C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001680736183 1108048371 /nfs/dbraw/zinc/04/83/71/1108048371.db2.gz YTTOCUGMXBOPEY-LBPRGKRZSA-N -1 3 332.375 2.970 10 10 EFCEHM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000100572809 219101833 /nfs/dbraw/zinc/10/18/33/219101833.db2.gz HJLASCSOTBGJGV-XNTDXEJSSA-N -1 3 347.378 2.883 10 10 EFCEHM CC(C)c1nc([C@H]2CCCN2Cc2cc3c(cc2[O-])OCO3)no1 ZINC000195299723 240215224 /nfs/dbraw/zinc/21/52/24/240215224.db2.gz VZGFJSQWWGFZKF-GFCCVEGCSA-N -1 3 331.372 2.964 10 10 EFCEHM C[C@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000245809725 240261071 /nfs/dbraw/zinc/26/10/71/240261071.db2.gz ZELVSZBTMMVMHK-MNOVXSKESA-N -1 3 333.259 2.586 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CCS[C@H]2COCC[C@H]21 ZINC000247217535 240278655 /nfs/dbraw/zinc/27/86/55/240278655.db2.gz VUDVMLNADFPHMY-OCCSQVGLSA-N -1 3 344.274 2.861 10 10 EFCEHM Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c([O-])c1O ZINC000248415191 240289921 /nfs/dbraw/zinc/28/99/21/240289921.db2.gz NUCNHRZYXACVJQ-CVEARBPZSA-N -1 3 326.396 2.581 10 10 EFCEHM COc1ccc(CNCc2cc(Cl)c(F)cc2[O-])c(OC)n1 ZINC000293980119 241031891 /nfs/dbraw/zinc/03/18/91/241031891.db2.gz RFBOZEARUTYRJS-UHFFFAOYSA-N -1 3 326.755 2.887 10 10 EFCEHM COC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363717646 242282178 /nfs/dbraw/zinc/28/21/78/242282178.db2.gz HTOATPSMFLZMSB-CQSZACIVSA-N -1 3 340.851 2.551 10 10 EFCEHM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1c([O-])ccc(Cl)c1F ZINC000364862528 242309999 /nfs/dbraw/zinc/30/99/99/242309999.db2.gz QWHCCWODZPPZQO-MNOVXSKESA-N -1 3 345.798 2.727 10 10 EFCEHM C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273514731 287042162 /nfs/dbraw/zinc/04/21/62/287042162.db2.gz SHPBFQYDSFOHNG-MRVPVSSYSA-N -1 3 344.293 2.904 10 10 EFCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000193092447 288045537 /nfs/dbraw/zinc/04/55/37/288045537.db2.gz ZNXLUGVTTVYLQL-BDJLRTHQSA-N -1 3 331.343 2.839 10 10 EFCEHM COc1cc2c(c(OC)c1OC)C(=O)c1c([O-])cc(C)cc1C2=O ZINC000014760785 471878528 /nfs/dbraw/zinc/87/85/28/471878528.db2.gz HBFIZFDPDDEBMN-UHFFFAOYSA-N -1 3 328.320 2.502 10 10 EFCEHM C[C@@H](c1ccncc1)N(C)Cc1cc(=O)oc2cc([O-])c(O)cc12 ZINC000097135223 472458094 /nfs/dbraw/zinc/45/80/94/472458094.db2.gz VCWOOPXJLOOHLT-NSHDSACASA-N -1 3 326.352 2.792 10 10 EFCEHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)ccc1O ZINC000032913759 472478917 /nfs/dbraw/zinc/47/89/17/472478917.db2.gz PANVVYYLNAKCJT-UHFFFAOYSA-N -1 3 334.397 2.768 10 10 EFCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)COC ZINC000120988179 472780067 /nfs/dbraw/zinc/78/00/67/472780067.db2.gz CMJIAXJTFTUOJZ-JTQLQIEISA-N -1 3 330.222 2.786 10 10 EFCEHM CCCC(=O)N[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079410066 472860389 /nfs/dbraw/zinc/86/03/89/472860389.db2.gz NMFJUXBSIKURHB-HNNXBMFYSA-N -1 3 336.407 2.615 10 10 EFCEHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](N2CCOCC2)C1 ZINC000134129148 472877102 /nfs/dbraw/zinc/87/71/02/472877102.db2.gz OOVOSTYUSYUAFH-ZDUSSCGKSA-N -1 3 331.243 2.606 10 10 EFCEHM CSCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134269763 472891804 /nfs/dbraw/zinc/89/18/04/472891804.db2.gz QMTBVMAFIKKFMG-AWEZNQCLSA-N -1 3 342.892 2.879 10 10 EFCEHM CCc1nn(C)c(Cl)c1CN1CCN(Cc2ccccc2[O-])CC1 ZINC000179572329 473695971 /nfs/dbraw/zinc/69/59/71/473695971.db2.gz GZNYVNFOANLMEC-UHFFFAOYSA-N -1 3 348.878 2.659 10 10 EFCEHM Cc1cc(Cl)cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000179710822 473711809 /nfs/dbraw/zinc/71/18/09/473711809.db2.gz HHYLTSZVJZUSOX-CQSZACIVSA-N -1 3 329.849 2.506 10 10 EFCEHM [O-]c1ccc(F)cc1CN1CCN(c2nc3ccccc3o2)CC1 ZINC000180097328 473796993 /nfs/dbraw/zinc/79/69/93/473796993.db2.gz VCQUXHRBZKFISA-UHFFFAOYSA-N -1 3 327.359 2.995 10 10 EFCEHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c([O-])c1O ZINC000182477266 474185365 /nfs/dbraw/zinc/18/53/65/474185365.db2.gz APQXZTTYXCCMQL-HNNXBMFYSA-N -1 3 340.423 2.753 10 10 EFCEHM CCc1nc(C2(NC(=O)c3ccc(C)c(O)c3[O-])CCCC2)no1 ZINC000182555290 474204997 /nfs/dbraw/zinc/20/49/97/474204997.db2.gz OLJUSGWFVQBCFW-UHFFFAOYSA-N -1 3 331.372 2.551 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000289647213 474360816 /nfs/dbraw/zinc/36/08/16/474360816.db2.gz XWJHKUDMQKTETF-HNNXBMFYSA-N -1 3 342.233 2.536 10 10 EFCEHM O=C(/C=C/c1cncc([O-])c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189863431 474495572 /nfs/dbraw/zinc/49/55/72/474495572.db2.gz FZDDJGQEXFSMGL-AATRIKPKSA-N -1 3 336.391 2.895 10 10 EFCEHM CC(=O)N1CCN(Cc2cc(Br)cc(C)c2[O-])[C@H](C)C1 ZINC000271827005 474595744 /nfs/dbraw/zinc/59/57/44/474595744.db2.gz OBYNDNABBZQZCH-LLVKDONJSA-N -1 3 341.249 2.516 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c1[O-] ZINC000278246112 474605103 /nfs/dbraw/zinc/60/51/03/474605103.db2.gz UITHAVGHRHVUIB-AWEZNQCLSA-N -1 3 345.296 2.861 10 10 EFCEHM COc1c([O-])c(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278533446 474685520 /nfs/dbraw/zinc/68/55/20/474685520.db2.gz VOFXJNSAEWGWKX-JSGCOSHPSA-N -1 3 338.404 2.538 10 10 EFCEHM Cc1cc(Cl)cc(CN(C)Cc2ncnn2CC(F)F)c1[O-] ZINC000279027082 474955648 /nfs/dbraw/zinc/95/56/48/474955648.db2.gz NCHWEYDLTQKONR-UHFFFAOYSA-N -1 3 330.766 2.843 10 10 EFCEHM O=C(NCC1CCN(c2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000279625286 474983972 /nfs/dbraw/zinc/98/39/72/474983972.db2.gz CVTHGYLLTVDJCF-UHFFFAOYSA-N -1 3 326.396 2.744 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CC=C(c3ccnn3C)CC2)c1[O-] ZINC000285493611 475028537 /nfs/dbraw/zinc/02/85/37/475028537.db2.gz DTECEIVONUFTDD-UHFFFAOYSA-N -1 3 329.375 2.757 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000280613471 475038657 /nfs/dbraw/zinc/03/86/57/475038657.db2.gz VZQHWCJDBVVQET-SFHVURJKSA-N -1 3 337.391 2.504 10 10 EFCEHM C[C@@H]1OCC[C@]12CN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H](C)O2 ZINC000294518042 475069213 /nfs/dbraw/zinc/06/92/13/475069213.db2.gz CHZPTTYKXHLHRM-GDLVEWKHSA-N -1 3 329.799 2.953 10 10 EFCEHM Cn1ccnc1[C@H](NCc1cc(Cl)c(F)cc1[O-])C(C)(C)CO ZINC000294957396 475093733 /nfs/dbraw/zinc/09/37/33/475093733.db2.gz DMZASLQXZYKHQE-AWEZNQCLSA-N -1 3 341.814 2.768 10 10 EFCEHM COc1cc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)ccc1O ZINC000295225961 475112568 /nfs/dbraw/zinc/11/25/68/475112568.db2.gz RYEPZXRQZLGSJQ-INIZCTEOSA-N -1 3 337.397 2.530 10 10 EFCEHM CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@]2(CCOC2)O1 ZINC000376673132 477454852 /nfs/dbraw/zinc/45/48/52/477454852.db2.gz PTKQJCWAWXDHBX-YOEHRIQHSA-N -1 3 341.835 2.824 10 10 EFCEHM Nc1nccc([C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000368041893 477780289 /nfs/dbraw/zinc/78/02/89/477780289.db2.gz MEORVNQFPLVSCC-SNVBAGLBSA-N -1 3 336.798 2.767 10 10 EFCEHM Nc1nccc([C@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000368041892 477780524 /nfs/dbraw/zinc/78/05/24/477780524.db2.gz MEORVNQFPLVSCC-JTQLQIEISA-N -1 3 336.798 2.767 10 10 EFCEHM Cc1ccnc(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)n1 ZINC000368317710 477798640 /nfs/dbraw/zinc/79/86/40/477798640.db2.gz YMFHWWGNKLTAIA-UHFFFAOYSA-N -1 3 327.384 2.524 10 10 EFCEHM CCn1ncc(CN[C@H](C)c2ccc(Br)cc2[O-])n1 ZINC000527922597 478573566 /nfs/dbraw/zinc/57/35/66/478573566.db2.gz HMEYLKDHMYPXSA-SECBINFHSA-N -1 3 325.210 2.617 10 10 EFCEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000529387146 479142231 /nfs/dbraw/zinc/14/22/31/479142231.db2.gz KKMPVVLYNLASHY-LFNDISMMSA-N -1 3 342.233 2.830 10 10 EFCEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000529387149 479143229 /nfs/dbraw/zinc/14/32/29/479143229.db2.gz KKMPVVLYNLASHY-QOBXEIRBSA-N -1 3 342.233 2.830 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](Cn3cncn3)C2)c1[O-] ZINC000177154940 527207046 /nfs/dbraw/zinc/20/70/46/527207046.db2.gz JIODUNIKXJMNKC-CYBMUJFWSA-N -1 3 348.834 2.752 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC(Cc3nccn3C)CC2)c1[O-] ZINC000175650841 527209379 /nfs/dbraw/zinc/20/93/79/527209379.db2.gz CJQKYGQQZOMBRX-UHFFFAOYSA-N -1 3 345.418 2.922 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000175812162 527209686 /nfs/dbraw/zinc/20/96/86/527209686.db2.gz VOZPMBUXTXDMIQ-MRXNPFEDSA-N -1 3 331.391 2.903 10 10 EFCEHM COC(=O)CN(CC[C@@H]1CCCCO1)Cc1cc(Cl)ccc1[O-] ZINC000754067101 575383639 /nfs/dbraw/zinc/38/36/39/575383639.db2.gz NLAKSJCRWVPCIF-HNNXBMFYSA-N -1 3 341.835 2.980 10 10 EFCEHM COC(=O)CN(CC[C@H]1CCCCO1)Cc1cc(Cl)ccc1[O-] ZINC000754067110 575383711 /nfs/dbraw/zinc/38/37/11/575383711.db2.gz NLAKSJCRWVPCIF-OAHLLOKOSA-N -1 3 341.835 2.980 10 10 EFCEHM CO[C@@H]1CC[C@@H]2OCCN(Cc3c([O-])ccc4ccncc43)[C@@H]2C1 ZINC000754796741 575492322 /nfs/dbraw/zinc/49/23/22/575492322.db2.gz NTIDTXIXDRCFAG-BJZITVGISA-N -1 3 328.412 2.709 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CO)c2sccc2C)c1 ZINC000756736605 575782366 /nfs/dbraw/zinc/78/23/66/575782366.db2.gz ORVBDIUPNCGANH-FZMZJTMJSA-N -1 3 335.425 2.933 10 10 EFCEHM CCN(C(=O)c1cc([O-])cs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000756787633 575786565 /nfs/dbraw/zinc/78/65/65/575786565.db2.gz RGTFCLGDYDCWRN-UHFFFAOYSA-N -1 3 326.418 2.535 10 10 EFCEHM [O-]c1cc2c(cc1CN1CCO[C@@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000758293439 575865799 /nfs/dbraw/zinc/86/57/99/575865799.db2.gz ZNPXYNNXGDGVRI-IEBWSBKVSA-N -1 3 333.428 2.599 10 10 EFCEHM [O-]c1cc2c(cc1CN1CCO[C@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000758293436 575865807 /nfs/dbraw/zinc/86/58/07/575865807.db2.gz ZNPXYNNXGDGVRI-HKUYNNGSSA-N -1 3 333.428 2.599 10 10 EFCEHM Cc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cn1 ZINC000761053284 576105807 /nfs/dbraw/zinc/10/58/07/576105807.db2.gz WFTQCDKGDCWOAQ-UHFFFAOYSA-N -1 3 331.759 2.718 10 10 EFCEHM Cc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000761062513 576107776 /nfs/dbraw/zinc/10/77/76/576107776.db2.gz QVYZAIJWDSWLBO-UHFFFAOYSA-N -1 3 345.786 2.713 10 10 EFCEHM CCOC(=O)[C@H](CC1CC1)NCc1cc(Cl)cc(OC)c1[O-] ZINC000761215838 576130736 /nfs/dbraw/zinc/13/07/36/576130736.db2.gz MOZMZVKLIMHLIL-ZDUSSCGKSA-N -1 3 327.808 2.876 10 10 EFCEHM COC(=O)c1cc2ccccc2c(CN2CCO[C@@H](C)[C@H]2C)c1[O-] ZINC000765098055 577006651 /nfs/dbraw/zinc/00/66/51/577006651.db2.gz CQJJDYZODKGNPS-OLZOCXBDSA-N -1 3 329.396 2.941 10 10 EFCEHM CCOc1ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)c([O-])c1 ZINC000768901888 577315464 /nfs/dbraw/zinc/31/54/64/577315464.db2.gz BERARNOSPIWRKZ-SFHVURJKSA-N -1 3 340.423 2.854 10 10 EFCEHM Cc1nc([C@H]2CCCN2Cc2cc3c(cc2[O-])OC[C@@H]3O)cs1 ZINC000774595812 581494955 /nfs/dbraw/zinc/49/49/55/581494955.db2.gz RRDRZYADBVECSV-ZBFHGGJFSA-N -1 3 332.425 2.920 10 10 EFCEHM C[C@H](NCc1cnc(C(F)(F)F)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850485306 1250502717 /nfs/dbraw/zinc/50/27/17/1250502717.db2.gz DIYWGRHFUBWLKC-QMMMGPOBSA-N -1 3 342.277 2.960 10 10 EFCEHM C[C@@]1(CNC(=O)NCc2c([O-])cccc2F)COc2ccccc2O1 ZINC000923388267 1261596600 /nfs/dbraw/zinc/59/66/00/1261596600.db2.gz HNLXLAQGMOILHJ-GOSISDBHSA-N -1 3 346.358 2.561 10 10 EFCEHM CC[C@@H](COCC(F)(F)F)NC(=O)NCc1c([O-])cccc1F ZINC000922664506 1266547910 /nfs/dbraw/zinc/54/79/10/1266547910.db2.gz VAIHMMKASCPPJS-VIFPVBQESA-N -1 3 338.301 2.688 10 10 EFCEHM CC(C)N1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715738010 1263882211 /nfs/dbraw/zinc/88/22/11/1263882211.db2.gz PLMYNUSZKIFMIZ-UHFFFAOYSA-N -1 3 331.229 2.820 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000922213593 1264987475 /nfs/dbraw/zinc/98/74/75/1264987475.db2.gz YSMHWIAASJFMBD-CYBMUJFWSA-N -1 3 330.359 2.594 10 10 EFCEHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124739 1278418998 /nfs/dbraw/zinc/41/89/98/1278418998.db2.gz XCOKPFCJYLCUAX-JMCQJSRRSA-N -1 3 327.705 2.930 10 10 EFCEHM O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cccc(O)c1[O-] ZINC000785655269 1275135286 /nfs/dbraw/zinc/13/52/86/1275135286.db2.gz OAEAZAYZCAPCMB-UHFFFAOYSA-N -1 3 329.230 2.954 10 10 EFCEHM COc1nnc(NCc2cc(C)cc(Br)c2[O-])s1 ZINC000788446487 1276175590 /nfs/dbraw/zinc/17/55/90/1276175590.db2.gz BHGAJHXLVISTAC-UHFFFAOYSA-N -1 3 330.207 2.935 10 10 EFCEHM Cc1cc(Br)c([O-])c(CNc2nc3ncccn3n2)c1 ZINC000788452369 1276176772 /nfs/dbraw/zinc/17/67/72/1276176772.db2.gz ZARLFEWSHUTEDY-UHFFFAOYSA-N -1 3 334.177 2.513 10 10 EFCEHM C[C@H](NCc1cc(C(N)=O)co1)c1cccc(C(F)(F)F)c1[O-] ZINC000788768055 1276296677 /nfs/dbraw/zinc/29/66/77/1276296677.db2.gz YWELWCGJNVKMFR-QMMMGPOBSA-N -1 3 328.290 2.954 10 10 EFCEHM CCOC(=O)[C@H](CCOC(C)(C)C)NCc1cc(F)ccc1[O-] ZINC000789578000 1276825915 /nfs/dbraw/zinc/82/59/15/1276825915.db2.gz PDMCRHQUURUCDG-AWEZNQCLSA-N -1 3 327.396 2.758 10 10 EFCEHM O=[N+]([O-])c1cc(CNCc2ncccc2[O-])ccc1N1CCCCC1 ZINC000793257852 1279481877 /nfs/dbraw/zinc/48/18/77/1279481877.db2.gz VUUFPXAIMKQNOP-UHFFFAOYSA-N -1 3 342.399 2.976 10 10 EFCEHM C[C@H]1CCN(Cc2cc(F)ccc2O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809769546 1282431272 /nfs/dbraw/zinc/43/12/72/1282431272.db2.gz ODFFTFDMRQIYGS-BHDSKKPTSA-N -1 3 348.340 2.809 10 10 EFCEHM C[C@@H](NCc1c2c(nn1C)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000812736118 1285387047 /nfs/dbraw/zinc/38/70/47/1285387047.db2.gz DFCCMXJLHXKFQV-LLVKDONJSA-N -1 3 330.388 2.764 10 10 EFCEHM C[C@H](NCc1cc(F)ccc1[O-])c1ncc(Br)cn1 ZINC000816627389 1288216178 /nfs/dbraw/zinc/21/61/78/1288216178.db2.gz MTSHZMVXFWFWPF-QMMMGPOBSA-N -1 3 326.169 2.935 10 10 EFCEHM CC[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000816596879 1288219801 /nfs/dbraw/zinc/21/98/01/1288219801.db2.gz VLTFSTWJOYMOTD-BLLLJJGKSA-N -1 3 329.799 2.955 10 10 EFCEHM COc1c([O-])c(CN2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000816667385 1288236419 /nfs/dbraw/zinc/23/64/19/1288236419.db2.gz LTANBGYIZJGITC-AWEZNQCLSA-N -1 3 336.388 2.700 10 10 EFCEHM Cc1c2ccccc2oc(=O)c1C(=O)NCc1c([O-])cccc1F ZINC001178413286 1288780696 /nfs/dbraw/zinc/78/06/96/1288780696.db2.gz PWFRLGIRZYTBAO-UHFFFAOYSA-N -1 3 327.311 2.876 10 10 EFCEHM CCn1ncnc1-c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001178412674 1288780710 /nfs/dbraw/zinc/78/07/10/1288780710.db2.gz DOZPMDNWNTUYFX-UHFFFAOYSA-N -1 3 340.358 2.740 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccn(-c2cccc(F)c2)n1 ZINC001178412665 1288780823 /nfs/dbraw/zinc/78/08/23/1288780823.db2.gz DCAJQLXEQITWCW-UHFFFAOYSA-N -1 3 329.306 2.786 10 10 EFCEHM CNC(=O)C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000795849057 1291553448 /nfs/dbraw/zinc/55/34/48/1291553448.db2.gz DRZWUFXZTDZKPC-MLGOLLRUSA-N -1 3 343.383 2.828 10 10 EFCEHM [O-]c1cc(Br)ccc1CN1CC(CO)(c2ccccc2)C1 ZINC000826123052 1292249298 /nfs/dbraw/zinc/24/92/98/1292249298.db2.gz DUPNRIVMWJEAMN-UHFFFAOYSA-N -1 3 348.240 2.901 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1[O-] ZINC000796303690 1292820890 /nfs/dbraw/zinc/82/08/90/1292820890.db2.gz CSFPPNKRSWLFOG-AMIZOPFISA-N -1 3 335.297 2.886 10 10 EFCEHM Cc1cc(Br)c([O-])c(CNc2n[nH]c3c2COCC3)c1 ZINC000886206196 1294763966 /nfs/dbraw/zinc/76/39/66/1294763966.db2.gz LVLOMSHSNSPVLM-UHFFFAOYSA-N -1 3 338.205 2.871 10 10 EFCEHM Cc1ccc(C(=O)Nc2cccc([C@H]3CCCC(=O)N3)c2)c([O-])c1O ZINC000925308438 1296824220 /nfs/dbraw/zinc/82/42/20/1296824220.db2.gz QJLOSGCBLYQCFU-OAHLLOKOSA-N -1 3 340.379 3.000 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)C1(c2ccc3c(c2)OCCO3)CC1 ZINC000928709803 1297126145 /nfs/dbraw/zinc/12/61/45/1297126145.db2.gz MAJIEEMRZJZAEU-UHFFFAOYSA-N -1 3 343.354 2.651 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCc3nc[nH]c3C23CCC3)c1[O-] ZINC000931678277 1297359594 /nfs/dbraw/zinc/35/95/94/1297359594.db2.gz WELLPDFYXMSYMK-UHFFFAOYSA-N -1 3 329.375 2.895 10 10 EFCEHM COC(=O)C1C[C@H](C)N(Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000860189333 1301735346 /nfs/dbraw/zinc/73/53/46/1301735346.db2.gz SCQOQSMVRJMQSV-QWRGUYRKSA-N -1 3 337.391 2.896 10 10 EFCEHM C[C@@](CO)(NCc1c([O-])ccc(Cl)c1F)c1cccc(O)c1 ZINC000862432470 1302383475 /nfs/dbraw/zinc/38/34/75/1302383475.db2.gz FGOJUJHPXQOIDT-INIZCTEOSA-N -1 3 325.767 2.888 10 10 EFCEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(Cl)c(C)cc1[O-] ZINC000862516861 1302404542 /nfs/dbraw/zinc/40/45/42/1302404542.db2.gz ZZXPMYMGJSDAPE-SWLSCSKDSA-N -1 3 341.835 2.802 10 10 EFCEHM O=C(Nc1[nH]nc2nc(C(F)(F)F)ccc21)c1cccc(O)c1[O-] ZINC001159611150 1311551973 /nfs/dbraw/zinc/55/19/73/1311551973.db2.gz VARRCNZMTNMGMA-UHFFFAOYSA-N -1 3 338.245 2.640 10 10 EFCEHM CCNC(=O)Nc1c(C)cccc1NC(=O)c1cccc(O)c1[O-] ZINC001161052335 1311846839 /nfs/dbraw/zinc/84/68/39/1311846839.db2.gz JYPFZEFGJGZCOJ-UHFFFAOYSA-N -1 3 329.356 2.800 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](Nc3ncccn3)C2)c1[O-] ZINC000903025830 1312291121 /nfs/dbraw/zinc/29/11/21/1312291121.db2.gz FNZPDPCKYGUION-AWEZNQCLSA-N -1 3 346.818 2.725 10 10 EFCEHM [O-]c1cccc(F)c1CNc1cnc(I)nc1 ZINC001164185373 1312463853 /nfs/dbraw/zinc/46/38/53/1312463853.db2.gz DUZSUCNSCUBGTP-UHFFFAOYSA-N -1 3 345.115 2.538 10 10 EFCEHM O=C(NCc1cnccc1C(F)(F)F)NCc1c([O-])cccc1F ZINC001253372672 1315597360 /nfs/dbraw/zinc/59/73/60/1315597360.db2.gz PSLNKOJBNOYAHZ-UHFFFAOYSA-N -1 3 343.280 2.945 10 10 EFCEHM O=C(N[C@@H](CO)c1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC001303994892 1324629999 /nfs/dbraw/zinc/62/99/99/1324629999.db2.gz HJQNAVSIUICZLO-LBPRGKRZSA-N -1 3 341.285 2.580 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccc([C@H](C)CC(N)=O)cc2)c([O-])c1O ZINC001304179887 1324643787 /nfs/dbraw/zinc/64/37/87/1324643787.db2.gz REJGCDUQHULTML-LLVKDONJSA-N -1 3 328.368 2.637 10 10 EFCEHM COc1cc(CCNC(=O)NCc2c([O-])cccc2F)cc(OC)c1 ZINC001347148768 1332720592 /nfs/dbraw/zinc/72/05/92/1332720592.db2.gz PYJVKFKMQNLXQZ-UHFFFAOYSA-N -1 3 348.374 2.590 10 10 EFCEHM CC(C)CC(=O)N1CCCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001352984667 1333846540 /nfs/dbraw/zinc/84/65/40/1333846540.db2.gz DARFNJGQFAIIHB-HNNXBMFYSA-N -1 3 336.407 2.575 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCC[C@@H]1O ZINC001459689749 1395976351 /nfs/dbraw/zinc/97/63/51/1395976351.db2.gz XXSCMZBTPJLNKM-WFASDCNBSA-N -1 3 341.835 2.572 10 10 EFCEHM O=C(Nc1ccccc1[C@@H](O)c1ccccn1)c1cccc(O)c1[O-] ZINC001467755128 1396892296 /nfs/dbraw/zinc/89/22/96/1396892296.db2.gz PFDYMSHJFQBGPN-QGZVFWFLSA-N -1 3 336.347 2.827 10 10 EFCEHM O=C(NCCc1ccc(F)c(F)c1F)NCc1c([O-])cccc1F ZINC001469523275 1397034308 /nfs/dbraw/zinc/03/43/08/1397034308.db2.gz CDYQBEZQJIEJFK-UHFFFAOYSA-N -1 3 342.292 2.991 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc(Cn2cccn2)cc1 ZINC001471974579 1397229887 /nfs/dbraw/zinc/22/98/87/1397229887.db2.gz GEPBWTRURIGWOY-UHFFFAOYSA-N -1 3 325.343 2.706 10 10 EFCEHM COC[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC001556654856 1415080595 /nfs/dbraw/zinc/08/05/95/1415080595.db2.gz QSLUZMHOCLBGSE-GFCCVEGCSA-N -1 3 335.787 2.911 10 10 EFCEHM Cc1ccc(N(Cc2cnn(C)c2)C(=O)c2cccc(O)c2[O-])cc1 ZINC001558299404 1415171426 /nfs/dbraw/zinc/17/14/26/1415171426.db2.gz FOMYVJWNFAOZLS-UHFFFAOYSA-N -1 3 337.379 2.987 10 10 EFCEHM CCn1ncc2cc(C(=O)NCc3c([O-])cccc3F)c(C)nc21 ZINC001558455679 1415180749 /nfs/dbraw/zinc/18/07/49/1415180749.db2.gz XARWQTUIMBWEIT-UHFFFAOYSA-N -1 3 328.347 2.534 10 10 EFCEHM CS(C)(=O)=Nc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001646034970 1416604109 /nfs/dbraw/zinc/60/41/09/1416604109.db2.gz PVOXSGFAEDODMW-UHFFFAOYSA-N -1 3 336.388 2.820 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001646033762 1416604111 /nfs/dbraw/zinc/60/41/11/1416604111.db2.gz DQATWQIPCGUBDD-AWEZNQCLSA-N -1 3 343.276 2.900 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001646033748 1416604124 /nfs/dbraw/zinc/60/41/24/1416604124.db2.gz DEIGNPRSNPXETK-UHFFFAOYSA-N -1 3 341.342 2.852 10 10 EFCEHM O=c1[nH]ncc(NCc2cc(Br)ccc2[O-])c1Cl ZINC000804828257 713488094 /nfs/dbraw/zinc/48/80/94/713488094.db2.gz LVEDHGANBUIELC-UHFFFAOYSA-N -1 3 330.569 2.916 10 10 EFCEHM O=C([O-])/C=C\c1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000327353090 715969621 /nfs/dbraw/zinc/96/96/21/715969621.db2.gz MGSDHLBQNBFJAF-VURMDHGXSA-N -1 3 345.399 2.757 10 10 EFCEHM CC(C)C[C@H](NCC(F)(F)F)C(=O)NCc1c([O-])cccc1F ZINC000928712939 724591028 /nfs/dbraw/zinc/59/10/28/724591028.db2.gz YCFWVMQQWWIMEO-LBPRGKRZSA-N -1 3 336.329 2.714 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCOc2ccccc21 ZINC000917583877 728760254 /nfs/dbraw/zinc/76/02/54/728760254.db2.gz ZBCQWCBCNSGLAV-GFCCVEGCSA-N -1 3 330.359 2.897 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000918947703 728945428 /nfs/dbraw/zinc/94/54/28/728945428.db2.gz QKGAEUUADQFZQE-CQSZACIVSA-N -1 3 343.402 3.000 10 10 EFCEHM [O-]c1cccc(Br)c1CN1CCN(CC(F)F)CC1 ZINC000862235811 725453262 /nfs/dbraw/zinc/45/32/62/725453262.db2.gz ZTUMIPJSKDELSL-UHFFFAOYSA-N -1 3 335.192 2.537 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000914163482 726093313 /nfs/dbraw/zinc/09/33/13/726093313.db2.gz YWMWUJIHIAKFRR-AWEZNQCLSA-N -1 3 343.402 2.857 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000912180767 727670139 /nfs/dbraw/zinc/67/01/39/727670139.db2.gz QBXJDKJJYVJSAR-SJORKVTESA-N -1 3 341.407 2.696 10 10 EFCEHM C[C@H](O)C[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000921450047 729460386 /nfs/dbraw/zinc/46/03/86/729460386.db2.gz RAPBYYMCSZKWEI-ZFWWWQNUSA-N -1 3 346.402 2.885 10 10 EFCEHM O=S(=O)(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000921450544 729460557 /nfs/dbraw/zinc/46/05/57/729460557.db2.gz AOPHZUNZLXEOEV-BLLLJJGKSA-N -1 3 339.363 2.646 10 10 EFCEHM O=S(=O)(C[C@H]1CCCC(F)(F)C1)NCc1c([O-])cccc1F ZINC000921452373 729460783 /nfs/dbraw/zinc/46/07/83/729460783.db2.gz NEAVHFNNQBRJSY-JTQLQIEISA-N -1 3 337.363 2.776 10 10 EFCEHM CC(C)(C)OC(=O)c1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC001648032138 1089931116 /nfs/dbraw/zinc/93/11/16/1089931116.db2.gz VUTRCCCJSQRZFZ-UHFFFAOYSA-N -1 3 343.379 2.983 10 10 EFCEHM COc1cc(C(=O)NCc2cc(Cl)ccc2O)cc(OC)c1[O-] ZINC001583821311 1092074081 /nfs/dbraw/zinc/07/40/81/1092074081.db2.gz YLQKKAJWTHWMME-UHFFFAOYSA-N -1 3 337.759 2.698 10 10 EFCEHM COc1ccc(C(C)=O)cc1CC(=O)NCc1c([O-])cccc1F ZINC001596906555 1094552185 /nfs/dbraw/zinc/55/21/85/1094552185.db2.gz GEZUHHIBXDLFAX-UHFFFAOYSA-N -1 3 331.343 2.601 10 10 EFCEHM Cn1cc(-c2cccc(C(=O)NCc3c([O-])cccc3F)c2)cn1 ZINC001596913418 1094553104 /nfs/dbraw/zinc/55/31/04/1094553104.db2.gz XQECCRQHBCATDL-UHFFFAOYSA-N -1 3 325.343 2.862 10 10 EFCEHM O=C(Cc1nc(C(F)(F)F)cs1)NCc1c([O-])cccc1F ZINC001596917202 1094553501 /nfs/dbraw/zinc/55/35/01/1094553501.db2.gz ZCKMTZFWGAOTKS-UHFFFAOYSA-N -1 3 334.294 2.866 10 10 EFCEHM O=C(Cc1csc(-c2ccccn2)n1)NCc1c([O-])cccc1F ZINC001635360691 1100656607 /nfs/dbraw/zinc/65/66/07/1100656607.db2.gz QGVFARPDINTETF-UHFFFAOYSA-N -1 3 343.383 2.909 10 10 EFCEHM CC1(C)COc2ccc(NC(=O)c3cccc(O)c3[O-])cc2NC1=O ZINC001636088802 1100699859 /nfs/dbraw/zinc/69/98/59/1100699859.db2.gz PGKKNDMHVGBEKS-UHFFFAOYSA-N -1 3 342.351 2.707 10 10 EFCEHM O=C(NCCOc1ccc(Cl)c(F)c1)c1cccc(O)c1[O-] ZINC001636753793 1100735767 /nfs/dbraw/zinc/73/57/67/1100735767.db2.gz DAJSBCLZYMDGPK-UHFFFAOYSA-N -1 3 325.723 2.699 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1csc(-c2ccccn2)n1 ZINC001638863673 1100892277 /nfs/dbraw/zinc/89/22/77/1100892277.db2.gz PQBICNPPYRQPFT-UHFFFAOYSA-N -1 3 329.356 2.980 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc2c(c1)NC(=O)CCS2 ZINC001638858207 1100892402 /nfs/dbraw/zinc/89/24/02/1100892402.db2.gz MBTRGCHRUAHMBM-UHFFFAOYSA-N -1 3 346.383 2.896 10 10 EFCEHM COc1ccc(C(=O)C(=O)NCc2c([O-])cccc2F)cc1Cl ZINC001638864356 1100892428 /nfs/dbraw/zinc/89/24/28/1100892428.db2.gz XRUXIPXAPDZSFG-UHFFFAOYSA-N -1 3 337.734 2.692 10 10 EFCEHM COc1ccc(/C=C/C(=O)NCc2c([O-])cccc2F)cc1OC ZINC001638866630 1100892547 /nfs/dbraw/zinc/89/25/47/1100892547.db2.gz HHBSEUYAASATFU-VQHVLOKHSA-N -1 3 331.343 2.878 10 10 EFCEHM C[C@@H]1CCN(c2cc(C(=O)NCc3c([O-])cccc3F)ccn2)C1 ZINC001652295897 1101471132 /nfs/dbraw/zinc/47/11/32/1101471132.db2.gz UPKPGQVLVBLZDE-GFCCVEGCSA-N -1 3 329.375 2.703 10 10 EFCEHM Cc1[nH]c(C(=O)NCc2c([O-])cccc2F)c(C)c1C(=O)OC(C)C ZINC001652295999 1101471863 /nfs/dbraw/zinc/47/18/63/1101471863.db2.gz ZHWLZKSBSFZJJJ-UHFFFAOYSA-N -1 3 348.374 2.971 10 10 EFCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C)n1-c1cnccn1 ZINC001652298949 1101471894 /nfs/dbraw/zinc/47/18/94/1101471894.db2.gz WAWNUAVMCJLCDY-UHFFFAOYSA-N -1 3 340.358 2.659 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@@H](CO)c2ccc(F)cc2F)c1[O-] ZINC001654313562 1101703672 /nfs/dbraw/zinc/70/36/72/1101703672.db2.gz GUWSBZNYKGUHIR-INIZCTEOSA-N -1 3 339.313 2.835 10 10 EFCEHM O=c1[n-]ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] ZINC001654939336 1101772151 /nfs/dbraw/zinc/77/21/51/1101772151.db2.gz YREINMBGVYVIIP-UHFFFAOYSA-N -1 3 337.339 2.865 10 10 EFCEHM COc1cccc([O-])c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001625848176 1101813140 /nfs/dbraw/zinc/81/31/40/1101813140.db2.gz XZNLZZWHCISBSK-UHFFFAOYSA-N -1 3 326.396 2.713 10 10 EFCEHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)CN1CCO ZINC000841890749 1105843405 /nfs/dbraw/zinc/84/34/05/1105843405.db2.gz FHJKAILVKYIYJR-QWRGUYRKSA-N -1 3 333.259 2.586 10 10 EFCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1c(F)cncc1F ZINC001682403339 1108616302 /nfs/dbraw/zinc/61/63/02/1108616302.db2.gz IYRCLEZMWRTGAU-MRVPVSSYSA-N -1 3 325.290 2.765 10 10 EFCEHM COc1cccc2c1nc(NC(=O)c1ccc(C)c(O)c1[O-])n2C ZINC000184144189 1118944815 /nfs/dbraw/zinc/94/48/15/1118944815.db2.gz VFBBIHFFSNJMNR-UHFFFAOYSA-N -1 3 327.340 2.554 10 10 EFCEHM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000101289058 219121170 /nfs/dbraw/zinc/12/11/70/219121170.db2.gz UETFHPNZJPQCMX-GDNBJRDFSA-N -1 3 347.378 2.883 10 10 EFCEHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc([O-])c1 ZINC000176298489 529988679 /nfs/dbraw/zinc/98/86/79/529988679.db2.gz POVZXRJCFNMHSW-UHFFFAOYSA-N -1 3 326.396 2.501 10 10 EFCEHM Cc1cc([C@H]2CN(C(=O)c3cccc(O)c3[O-])CCO2)ccc1F ZINC000193150524 240088679 /nfs/dbraw/zinc/08/86/79/240088679.db2.gz RXYVIRJKRBNQEK-MRXNPFEDSA-N -1 3 331.343 2.759 10 10 EFCEHM Cc1cc([C@@H]2CN(C(=O)c3cccc(O)c3[O-])CCO2)ccc1F ZINC000193150514 240089191 /nfs/dbraw/zinc/08/91/91/240089191.db2.gz RXYVIRJKRBNQEK-INIZCTEOSA-N -1 3 331.343 2.759 10 10 EFCEHM CN(C)c1noc([C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC000194938512 240189052 /nfs/dbraw/zinc/18/90/52/240189052.db2.gz FPDRAWMFIROHKC-LBPRGKRZSA-N -1 3 336.823 2.874 10 10 EFCEHM CN(C)c1noc([C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC000194938492 240186527 /nfs/dbraw/zinc/18/65/27/240186527.db2.gz FPDRAWMFIROHKC-GFCCVEGCSA-N -1 3 336.823 2.874 10 10 EFCEHM CC(C)c1nc([C@@H]2CCCN2Cc2cc3c(cc2[O-])OCO3)no1 ZINC000195299716 240215786 /nfs/dbraw/zinc/21/57/86/240215786.db2.gz VZGFJSQWWGFZKF-LBPRGKRZSA-N -1 3 331.372 2.964 10 10 EFCEHM CCCOc1ccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c([O-])c1 ZINC000245712356 240259987 /nfs/dbraw/zinc/25/99/87/240259987.db2.gz CLEUHROEVKLETG-SZVBFZGTSA-N -1 3 335.444 2.949 10 10 EFCEHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000295521292 241054919 /nfs/dbraw/zinc/05/49/19/241054919.db2.gz ZYVDWZGBJZOOKD-DZGCQCFKSA-N -1 3 349.855 2.972 10 10 EFCEHM COc1c([O-])c(CNc2c[nH]nc2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000365797410 242334474 /nfs/dbraw/zinc/33/44/74/242334474.db2.gz RXFUFGZNIKBIAL-UHFFFAOYSA-N -1 3 341.327 2.706 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](Cn3cncn3)C2)c1[O-] ZINC000177154923 473318511 /nfs/dbraw/zinc/31/85/11/473318511.db2.gz JIODUNIKXJMNKC-ZDUSSCGKSA-N -1 3 348.834 2.752 10 10 EFCEHM CCCOc1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c([O-])c1 ZINC000119831925 472587963 /nfs/dbraw/zinc/58/79/63/472587963.db2.gz ZNKSACDJZDDBOJ-GOSISDBHSA-N -1 3 340.423 2.593 10 10 EFCEHM CSCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134269743 472891416 /nfs/dbraw/zinc/89/14/16/472891416.db2.gz QMTBVMAFIKKFMG-CQSZACIVSA-N -1 3 342.892 2.879 10 10 EFCEHM C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(Br)cc1[O-] ZINC000185663408 473482049 /nfs/dbraw/zinc/48/20/49/473482049.db2.gz RQCNLWBZQJSMHB-SKDRFNHKSA-N -1 3 337.221 2.932 10 10 EFCEHM COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000185774596 473510583 /nfs/dbraw/zinc/51/05/83/473510583.db2.gz FMQQPRCKYINYNV-ZWNOBZJWSA-N -1 3 336.823 2.969 10 10 EFCEHM C[C@H]1CN(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CCO1 ZINC000191258246 473520091 /nfs/dbraw/zinc/52/00/91/473520091.db2.gz HDGMVBBHRCDQJW-LBPRGKRZSA-N -1 3 342.842 2.870 10 10 EFCEHM COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000187043644 473808173 /nfs/dbraw/zinc/80/81/73/473808173.db2.gz BBWIQUSZWJYTKX-CQSZACIVSA-N -1 3 327.380 2.954 10 10 EFCEHM CC(=O)Nc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000264587216 474050215 /nfs/dbraw/zinc/05/02/15/474050215.db2.gz FHHCOMYYJDLJOF-CYBMUJFWSA-N -1 3 341.411 2.810 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282899256 474236115 /nfs/dbraw/zinc/23/61/15/474236115.db2.gz WQVDDRFYJQXPNW-CYBMUJFWSA-N -1 3 341.411 2.650 10 10 EFCEHM Cc1cc(Cl)cc(CN[C@@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000290331503 474566655 /nfs/dbraw/zinc/56/66/55/474566655.db2.gz DTFZSDWMNVRUKA-CQSZACIVSA-N -1 3 337.828 2.972 10 10 EFCEHM Cc1cc(Cl)cc(CN[C@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000290331499 474567007 /nfs/dbraw/zinc/56/70/07/474567007.db2.gz DTFZSDWMNVRUKA-AWEZNQCLSA-N -1 3 337.828 2.972 10 10 EFCEHM COC(=O)[C@@H](CF)NCc1ccc(OCc2ccccc2)cc1[O-] ZINC000290639789 474580902 /nfs/dbraw/zinc/58/09/02/474580902.db2.gz YKXSLCKBDNOQCO-MRXNPFEDSA-N -1 3 333.359 2.572 10 10 EFCEHM COc1cc(Cl)cc(CN2CCC(Nc3cccnn3)CC2)c1[O-] ZINC000184689828 474586093 /nfs/dbraw/zinc/58/60/93/474586093.db2.gz FWXGMYXYRUIGNW-UHFFFAOYSA-N -1 3 348.834 2.921 10 10 EFCEHM Cc1ccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)c([O-])c1O ZINC000272765115 474625491 /nfs/dbraw/zinc/62/54/91/474625491.db2.gz RBUPBDXETPMKIG-GFCCVEGCSA-N -1 3 337.441 2.581 10 10 EFCEHM COc1ccc(F)cc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278436377 474644441 /nfs/dbraw/zinc/64/44/41/474644441.db2.gz UVDRMKFIZRPEQP-UHFFFAOYSA-N -1 3 336.319 2.747 10 10 EFCEHM COc1cc(Cl)cc(CN(C)Cc2nc([C@H](C)OC)no2)c1[O-] ZINC000273694706 475016713 /nfs/dbraw/zinc/01/67/13/475016713.db2.gz CAXQLZPWHCQAJK-VIFPVBQESA-N -1 3 341.795 2.777 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CCN(CC2CCOCC2)CC1 ZINC000295363382 475121471 /nfs/dbraw/zinc/12/14/71/475121471.db2.gz NYLDBOATFBNOCX-UHFFFAOYSA-N -1 3 342.842 2.729 10 10 EFCEHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000295521293 475127645 /nfs/dbraw/zinc/12/76/45/475127645.db2.gz ZYVDWZGBJZOOKD-HIFRSBDPSA-N -1 3 349.855 2.972 10 10 EFCEHM COc1c([O-])c(CN2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281296147 475157885 /nfs/dbraw/zinc/15/78/85/475157885.db2.gz PJBNPBDHOCXROO-AWEZNQCLSA-N -1 3 346.387 2.770 10 10 EFCEHM [O-]c1ccc(Cl)cc1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000369407042 476413767 /nfs/dbraw/zinc/41/37/67/476413767.db2.gz FCUCIVSZTXASLS-UHFFFAOYSA-N -1 3 332.835 2.963 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3ccncn3)C2)c1[O-] ZINC000378048466 476678804 /nfs/dbraw/zinc/67/88/04/476678804.db2.gz WVCAKKDETIMOFS-ZDUSSCGKSA-N -1 3 329.375 2.904 10 10 EFCEHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000370367987 476776587 /nfs/dbraw/zinc/77/65/87/476776587.db2.gz RIGHXMYKPRAGHU-ZIAGYGMSSA-N -1 3 327.808 2.506 10 10 EFCEHM CCn1ncc(CN[C@@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000527922234 478572417 /nfs/dbraw/zinc/57/24/17/478572417.db2.gz DCOVAZPRSXASKA-JTQLQIEISA-N -1 3 339.237 2.925 10 10 EFCEHM C[C@@]1(Br)C[C@H]1C(=O)NCc1ccc2cccnc2c1[O-] ZINC000529499769 479180800 /nfs/dbraw/zinc/18/08/00/479180800.db2.gz ACLSBHRLBKGJIS-XHDPSFHLSA-N -1 3 335.201 2.730 10 10 EFCEHM COc1cccc(CNC(=O)c2ccc3c(c2[O-])CCCC3)c1O ZINC000755532791 575597767 /nfs/dbraw/zinc/59/77/67/575597767.db2.gz SVWQUJHXBNLLJF-UHFFFAOYSA-N -1 3 327.380 2.915 10 10 EFCEHM COc1ccc(O)c(CNC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000755535309 575597820 /nfs/dbraw/zinc/59/78/20/575597820.db2.gz YRMOJZBXSMJMLK-UHFFFAOYSA-N -1 3 327.380 2.915 10 10 EFCEHM C[C@@H](NCc1cccnc1-n1ccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756392020 575729625 /nfs/dbraw/zinc/72/96/25/575729625.db2.gz GRLKSNMFCOEWJB-GFCCVEGCSA-N -1 3 339.355 2.732 10 10 EFCEHM C[C@H](N[C@H]1CCCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756508260 575751192 /nfs/dbraw/zinc/75/11/92/575751192.db2.gz GWAWHPFBJWMUIC-CPCISQLKSA-N -1 3 347.640 2.737 10 10 EFCEHM C[C@@H](CN(Cc1ccco1)Cc1ccccc1[O-])CS(C)(=O)=O ZINC000757843581 575854359 /nfs/dbraw/zinc/85/43/59/575854359.db2.gz HGDYMSDAAOYITC-AWEZNQCLSA-N -1 3 337.441 2.668 10 10 EFCEHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(C(F)(F)F)nc1 ZINC000758168641 575861669 /nfs/dbraw/zinc/86/16/69/575861669.db2.gz DWNDPNVFFFQULY-UHFFFAOYSA-N -1 3 336.266 2.746 10 10 EFCEHM [O-]c1cc2c(cc1CN1CCO[C@@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000758293442 575865782 /nfs/dbraw/zinc/86/57/82/575865782.db2.gz ZNPXYNNXGDGVRI-PKOBYXMFSA-N -1 3 333.428 2.599 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H]2NC(=O)c3ccc(Cl)cc3N2)c1 ZINC000726797058 577387105 /nfs/dbraw/zinc/38/71/05/577387105.db2.gz YILBNSGTMBUBHR-CQSZACIVSA-N -1 3 332.743 2.686 10 10 EFCEHM COc1nnc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[n-]1 ZINC000770457359 577419823 /nfs/dbraw/zinc/41/98/23/577419823.db2.gz SYLILMKQNSPQJZ-UHFFFAOYSA-N -1 3 325.372 2.782 10 10 EFCEHM COc1nc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n[n-]1 ZINC000770457359 577419825 /nfs/dbraw/zinc/41/98/25/577419825.db2.gz SYLILMKQNSPQJZ-UHFFFAOYSA-N -1 3 325.372 2.782 10 10 EFCEHM COc1n[n-]c(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000770457359 577419828 /nfs/dbraw/zinc/41/98/28/577419828.db2.gz SYLILMKQNSPQJZ-UHFFFAOYSA-N -1 3 325.372 2.782 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NCC1(c2ccccn2)CCC1 ZINC000922454350 1266060378 /nfs/dbraw/zinc/06/03/78/1266060378.db2.gz DUTKSJKACYSGMX-UHFFFAOYSA-N -1 3 329.375 2.847 10 10 EFCEHM Cn1cc(CNCc2c([O-])ccc(Cl)c2F)c(Br)n1 ZINC000922468072 1266099199 /nfs/dbraw/zinc/09/91/99/1266099199.db2.gz MNGUNMMEKNQNGQ-UHFFFAOYSA-N -1 3 348.603 2.971 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000921641131 1257965124 /nfs/dbraw/zinc/96/51/24/1257965124.db2.gz VTFCIVBZIRDYFS-HFBAOOFYSA-N -1 3 334.391 2.678 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000921696996 1261168719 /nfs/dbraw/zinc/16/87/19/1261168719.db2.gz FDNAZEPWOSLMEC-XBFCOCLRSA-N -1 3 342.461 2.710 10 10 EFCEHM COc1cccc([C@@H](CNC(=O)NCc2c([O-])cccc2F)OC)c1 ZINC000923393099 1261598563 /nfs/dbraw/zinc/59/85/63/1261598563.db2.gz NPYIQXJKPGZQMB-QGZVFWFLSA-N -1 3 348.374 2.727 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000922731035 1266700895 /nfs/dbraw/zinc/70/08/95/1266700895.db2.gz NOIOCRPLIFFUEZ-SUMWQHHRSA-N -1 3 345.374 2.646 10 10 EFCEHM COc1cccc([C@@H]2C[C@H]2NC(=O)NCc2c([O-])cccc2F)c1 ZINC000922757577 1266743906 /nfs/dbraw/zinc/74/39/06/1266743906.db2.gz UJQBSSNXWSZXLI-XJKSGUPXSA-N -1 3 330.359 2.895 10 10 EFCEHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000746234833 1271910442 /nfs/dbraw/zinc/91/04/42/1271910442.db2.gz VYNASJDQUKBDLP-OAHLLOKOSA-N -1 3 348.424 2.645 10 10 EFCEHM COC(=O)CN(CCC(C)(C)OC)Cc1cc(Cl)ccc1[O-] ZINC000787266249 1275740134 /nfs/dbraw/zinc/74/01/34/1275740134.db2.gz ZQZPYOOGNKGUAT-UHFFFAOYSA-N -1 3 329.824 2.836 10 10 EFCEHM CCCN(CCC)c1ccc(CN[C@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819163517 1276649116 /nfs/dbraw/zinc/64/91/16/1276649116.db2.gz KKMPCUJEJPTHMY-SFHVURJKSA-N -1 3 344.459 2.962 10 10 EFCEHM C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@H]1C(=O)OC(C)(C)C ZINC000819680692 1276875384 /nfs/dbraw/zinc/87/53/84/1276875384.db2.gz GILHWJUVYNPZPG-SMDDNHRTSA-N -1 3 335.400 2.680 10 10 EFCEHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000790416406 1277527866 /nfs/dbraw/zinc/52/78/66/1277527866.db2.gz WWYSTYWMHQFADM-UHFFFAOYSA-N -1 3 325.361 2.903 10 10 EFCEHM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790886191 1277829632 /nfs/dbraw/zinc/82/96/32/1277829632.db2.gz GQLWEBOTTTVKLZ-LBPRGKRZSA-N -1 3 335.400 2.682 10 10 EFCEHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573715 1288213307 /nfs/dbraw/zinc/21/33/07/1288213307.db2.gz IRGQLRAMRPTBBY-RYUDHWBXSA-N -1 3 345.798 2.727 10 10 EFCEHM CN(CC(=O)NC(C)(C)C)Cc1ccc(Br)cc1[O-] ZINC000824534350 1289685659 /nfs/dbraw/zinc/68/56/59/1289685659.db2.gz CFRYUGIQLCHPBM-UHFFFAOYSA-N -1 3 329.238 2.501 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccccc1N1CCCC1=O ZINC001184348756 1290450627 /nfs/dbraw/zinc/45/06/27/1290450627.db2.gz TYSLLVNJPJVQKL-UHFFFAOYSA-N -1 3 328.343 2.588 10 10 EFCEHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1Cl ZINC000826099926 1292007001 /nfs/dbraw/zinc/00/70/01/1292007001.db2.gz JZSWJCYOSNWCHA-HIFRSBDPSA-N -1 3 329.849 2.506 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CC(C)(C)CO1 ZINC001191682776 1292610364 /nfs/dbraw/zinc/61/03/64/1292610364.db2.gz SMSQMVAFXUODGC-AWEZNQCLSA-N -1 3 341.835 2.836 10 10 EFCEHM CCN(C)c1ccc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001197169178 1294472297 /nfs/dbraw/zinc/47/22/97/1294472297.db2.gz WYFCIOZUYCTWNL-INIZCTEOSA-N -1 3 343.393 2.786 10 10 EFCEHM Cc1ccc(C(=O)Nc2cccc([C@@H]3CCCC(=O)N3)c2)c([O-])c1O ZINC000925308437 1296821905 /nfs/dbraw/zinc/82/19/05/1296821905.db2.gz QJLOSGCBLYQCFU-HNNXBMFYSA-N -1 3 340.379 3.000 10 10 EFCEHM O=C(Cn1nc(C(F)F)cc1C1CC1)NCc1c([O-])cccc1F ZINC000928709913 1297125716 /nfs/dbraw/zinc/12/57/16/1297125716.db2.gz NSJQCXBPCMOWOL-UHFFFAOYSA-N -1 3 339.317 2.859 10 10 EFCEHM COC(=O)C1C[C@@H](C)N(Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000860189328 1301735111 /nfs/dbraw/zinc/73/51/11/1301735111.db2.gz SCQOQSMVRJMQSV-GHMZBOCLSA-N -1 3 337.391 2.896 10 10 EFCEHM CN(CC(=O)NC(C)(C)C)Cc1c([O-])cccc1Br ZINC000862214648 1302307998 /nfs/dbraw/zinc/30/79/98/1302307998.db2.gz YTSRHPYSVCHKRS-UHFFFAOYSA-N -1 3 329.238 2.501 10 10 EFCEHM COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(Cl)c(C)cc1[O-] ZINC000862516859 1302403933 /nfs/dbraw/zinc/40/39/33/1302403933.db2.gz ZZXPMYMGJSDAPE-DOMZBBRYSA-N -1 3 341.835 2.802 10 10 EFCEHM Cn1nccc1C(NCc1cc(Cl)c(F)cc1[O-])c1ccnn1C ZINC000862540684 1302409209 /nfs/dbraw/zinc/40/92/09/1302409209.db2.gz JSKCPXYVVPNAJS-UHFFFAOYSA-N -1 3 349.797 2.531 10 10 EFCEHM O=C1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCN1C1CC1 ZINC000748265293 1313842633 /nfs/dbraw/zinc/84/26/33/1313842633.db2.gz SUDJYMSDXMSDMB-UHFFFAOYSA-N -1 3 340.423 2.824 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nn(C)cc2C(F)F)c1 ZINC000866565124 1303689096 /nfs/dbraw/zinc/68/90/96/1303689096.db2.gz IFONXULYCUMYQX-VIFPVBQESA-N -1 3 339.342 2.701 10 10 EFCEHM COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000870774887 1305571144 /nfs/dbraw/zinc/57/11/44/1305571144.db2.gz RQHVCDNBMUSTBZ-LSDHHAIUSA-N -1 3 341.363 2.935 10 10 EFCEHM CCNC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])c(C)s1 ZINC000871115695 1305817710 /nfs/dbraw/zinc/81/77/10/1305817710.db2.gz CXFIBDOWMJWIOQ-UHFFFAOYSA-N -1 3 334.397 2.778 10 10 EFCEHM O=C([N-]Cc1ccc(O)cc1O)C(F)(F)c1c(F)cccc1F ZINC001162279211 1312079192 /nfs/dbraw/zinc/07/91/92/1312079192.db2.gz VYFIHOAIHQWFLM-UHFFFAOYSA-N -1 3 329.249 2.784 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)Nc1ncn(C2CCCCC2)n1 ZINC000902945639 1312231592 /nfs/dbraw/zinc/23/15/92/1312231592.db2.gz UPSKXQSNCBSPMB-UHFFFAOYSA-N -1 3 333.367 2.950 10 10 EFCEHM CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1[O-] ZINC001292278840 1322051818 /nfs/dbraw/zinc/05/18/18/1322051818.db2.gz YUVQTQNOVAZNHR-UHFFFAOYSA-N -1 3 330.359 2.730 10 10 EFCEHM Cc1ccc(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)c([O-])c1O ZINC001299776251 1323706469 /nfs/dbraw/zinc/70/64/69/1323706469.db2.gz SLFZFXHBNFJMLJ-UHFFFAOYSA-N -1 3 342.330 2.507 10 10 EFCEHM COC(=O)c1ccc(Cl)c(C(=O)NCc2c([O-])cccc2F)c1 ZINC001303875196 1324623922 /nfs/dbraw/zinc/62/39/22/1324623922.db2.gz CTKDQMYKWKGLEH-UHFFFAOYSA-N -1 3 337.734 2.901 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cc(Cl)c2c(c1)OCCO2 ZINC001303879307 1324624924 /nfs/dbraw/zinc/62/49/24/1324624924.db2.gz XNFMWIPQSYGQDM-UHFFFAOYSA-N -1 3 337.734 2.886 10 10 EFCEHM O=C([O-])c1cnn2c1[nH]c(CN1CCCC3(CCCC3)CC1)cc2=O ZINC000849344390 1335595594 /nfs/dbraw/zinc/59/55/94/1335595594.db2.gz KOVJLSIJZBWKAI-UHFFFAOYSA-N -1 3 344.415 2.679 10 10 EFCEHM Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cccc(O)c1[O-] ZINC001454574860 1393062485 /nfs/dbraw/zinc/06/24/85/1393062485.db2.gz LCEPIUOJPFYKHX-UHFFFAOYSA-N -1 3 328.343 2.999 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001471975807 1397229302 /nfs/dbraw/zinc/22/93/02/1397229302.db2.gz ICOAUOWYERZSMM-UHFFFAOYSA-N -1 3 329.287 2.851 10 10 EFCEHM O=C(NCc1c(O)cccc1F)c1cc([O-])cc(Br)c1 ZINC001471976196 1397229312 /nfs/dbraw/zinc/22/93/12/1397229312.db2.gz SSCRJAMUFLMTBQ-UHFFFAOYSA-N -1 3 340.148 2.929 10 10 EFCEHM Cn1cc(C(=O)NCc2c([O-])cccc2F)c(-c2cccs2)n1 ZINC001471975656 1397229800 /nfs/dbraw/zinc/22/98/00/1397229800.db2.gz BUZQFDRNHIZRIE-UHFFFAOYSA-N -1 3 331.372 2.923 10 10 EFCEHM COC[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC001556654857 1415080586 /nfs/dbraw/zinc/08/05/86/1415080586.db2.gz QSLUZMHOCLBGSE-LBPRGKRZSA-N -1 3 335.787 2.911 10 10 EFCEHM COC(=O)Nc1ccc(C(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001558456594 1415180863 /nfs/dbraw/zinc/18/08/63/1415180863.db2.gz BSBOTEYNAULJJA-UHFFFAOYSA-N -1 3 332.331 2.948 10 10 EFCEHM O=C(Nc1nc(-c2cccnc2Cl)ns1)c1cccc(O)c1[O-] ZINC001559002211 1415216984 /nfs/dbraw/zinc/21/69/84/1415216984.db2.gz BHQGZTKWLDECKK-UHFFFAOYSA-N -1 3 348.771 2.917 10 10 EFCEHM O=C(NCc1cccc(C(F)(F)F)n1)NCc1c([O-])cccc1F ZINC001564786827 1415382625 /nfs/dbraw/zinc/38/26/25/1415382625.db2.gz VVSVOOZBMYDKDF-UHFFFAOYSA-N -1 3 343.280 2.945 10 10 EFCEHM Cc1onc(-c2ccncc2)c1C(=O)NCc1c([O-])cccc1F ZINC001646034569 1416603945 /nfs/dbraw/zinc/60/39/45/1416603945.db2.gz NCCVSNINMHUANM-UHFFFAOYSA-N -1 3 327.315 2.820 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001646033763 1416604162 /nfs/dbraw/zinc/60/41/62/1416604162.db2.gz DQATWQIPCGUBDD-CQSZACIVSA-N -1 3 343.276 2.900 10 10 EFCEHM COCCCOc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928705894 724581943 /nfs/dbraw/zinc/58/19/43/724581943.db2.gz ORZVRYYSWNHCPK-UHFFFAOYSA-N -1 3 333.359 2.877 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCN3CCCC[C@@H]3C2)c1[O-] ZINC000092616055 720061855 /nfs/dbraw/zinc/06/18/55/720061855.db2.gz KLGDHGZTRCBLAI-CYBMUJFWSA-N -1 3 325.796 2.624 10 10 EFCEHM COC(=O)[C@H](COC(C)C)N(C)Cc1c([O-])cc(C)cc1Cl ZINC000840919947 721052977 /nfs/dbraw/zinc/05/29/77/721052977.db2.gz BQEDKSBWRRLPAB-AWEZNQCLSA-N -1 3 329.824 2.752 10 10 EFCEHM C[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCS1(=O)=O ZINC000151583994 725783447 /nfs/dbraw/zinc/78/34/47/725783447.db2.gz SXUSRTDJMAGMRD-GFCCVEGCSA-N -1 3 349.452 2.636 10 10 EFCEHM COC[C@H](Cc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC000921191073 729272421 /nfs/dbraw/zinc/27/24/21/729272421.db2.gz GWWSONXJNNVFBJ-AWEZNQCLSA-N -1 3 332.375 2.588 10 10 EFCEHM CO[C@@H](C)c1nc(CNC(=O)NCc2c([O-])cccc2F)cs1 ZINC000921373706 729300854 /nfs/dbraw/zinc/30/08/54/729300854.db2.gz QTQAEYNJAQYJMO-VIFPVBQESA-N -1 3 339.392 2.695 10 10 EFCEHM Cc1ccccc1CC(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180020952 729672609 /nfs/dbraw/zinc/67/26/09/729672609.db2.gz RUBLSWXAPODCNH-UHFFFAOYSA-N -1 3 342.414 2.727 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCc2[nH]cnc2[C@@H]1c1ccccc1 ZINC001587078627 1092780686 /nfs/dbraw/zinc/78/06/86/1092780686.db2.gz CVDQLFWGPZYOFM-KRWDZBQOSA-N -1 3 335.363 2.609 10 10 EFCEHM O=C(Cc1cc2ccccc2[nH]c1=O)NCc1c([O-])cccc1F ZINC001596912532 1094552564 /nfs/dbraw/zinc/55/25/64/1094552564.db2.gz OHLXMHNNOFNKGC-UHFFFAOYSA-N -1 3 326.327 2.644 10 10 EFCEHM Cc1nnc(COc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)o1 ZINC001627283663 1099977251 /nfs/dbraw/zinc/97/72/51/1099977251.db2.gz NIZCPKFFHAVYEB-UHFFFAOYSA-N -1 3 341.323 2.621 10 10 EFCEHM O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(O)c1[O-] ZINC001629477505 1100214321 /nfs/dbraw/zinc/21/43/21/1100214321.db2.gz JXTPWDGVGNMQBV-UHFFFAOYSA-N -1 3 326.352 2.586 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnc[nH]3)c2)c([O-])c1O ZINC001634273000 1100595631 /nfs/dbraw/zinc/59/56/31/1100595631.db2.gz URCVKJQWDRQBBO-UHFFFAOYSA-N -1 3 328.303 2.583 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccnc(OCC(F)F)c1 ZINC001635360717 1100656455 /nfs/dbraw/zinc/65/64/55/1100656455.db2.gz QQPPDJFYYYGELS-UHFFFAOYSA-N -1 3 326.274 2.500 10 10 EFCEHM CN1CCCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001638829662 1100889633 /nfs/dbraw/zinc/88/96/33/1100889633.db2.gz VPSYZHBEJGAJMO-LBPRGKRZSA-N -1 3 346.258 2.983 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@@H](O)c1ccccc1C(F)(F)F ZINC001638866881 1100893989 /nfs/dbraw/zinc/89/39/89/1100893989.db2.gz QYHYAZNZWDSDRY-AWEZNQCLSA-N -1 3 343.276 2.900 10 10 EFCEHM Cc1cc(CCNC(=O)c2cc(=O)[n-]cn2)c(C)n1-c1ccccc1 ZINC001642091332 1101189793 /nfs/dbraw/zinc/18/97/93/1101189793.db2.gz RIMCWXOXPPOHTF-UHFFFAOYSA-N -1 3 336.395 2.562 10 10 EFCEHM COc1ccc(OC)c2sc(NC(=O)c3cccc(O)c3[O-])nc21 ZINC001643261016 1101285155 /nfs/dbraw/zinc/28/51/55/1101285155.db2.gz AFXUDLGFDRJFKH-UHFFFAOYSA-N -1 3 346.364 2.977 10 10 EFCEHM O=C(Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)c1cccc(O)c1[O-] ZINC001643343461 1101292088 /nfs/dbraw/zinc/29/20/88/1101292088.db2.gz XWFGKQWSKJSAHZ-UHFFFAOYSA-N -1 3 325.324 2.740 10 10 EFCEHM CC(=O)c1cccc(O[C@H](C)C(=O)NCc2c([O-])cccc2F)c1 ZINC001652295713 1101471354 /nfs/dbraw/zinc/47/13/54/1101471354.db2.gz QEKITXXWGQZPNM-GFCCVEGCSA-N -1 3 331.343 2.818 10 10 EFCEHM COc1cccc(C(F)(F)C(=O)NCc2c([O-])cccc2F)c1 ZINC001652298273 1101471388 /nfs/dbraw/zinc/47/13/88/1101471388.db2.gz IGUIMIDEJCXMPE-UHFFFAOYSA-N -1 3 325.286 2.948 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@H](CO)c2ccc(F)cc2F)c1[O-] ZINC001654313567 1101703933 /nfs/dbraw/zinc/70/39/33/1101703933.db2.gz GUWSBZNYKGUHIR-MRXNPFEDSA-N -1 3 339.313 2.835 10 10 EFCEHM COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001142535610 1106247507 /nfs/dbraw/zinc/24/75/07/1106247507.db2.gz ZNSKOPKMMJXGBU-UHFFFAOYSA-N -1 3 345.351 2.924 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCOc2ccc(F)cc21 ZINC001681387044 1108240291 /nfs/dbraw/zinc/24/02/91/1108240291.db2.gz YIZCEZRCLYVGQK-AWEZNQCLSA-N -1 3 334.322 2.993 10 10 EFCEHM Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c([O-])c1O ZINC000177675580 239388516 /nfs/dbraw/zinc/38/85/16/239388516.db2.gz VWRKXMAFZKQTSQ-UHFFFAOYSA-N -1 3 326.396 2.805 10 10 EFCEHM CCCOc1ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c([O-])c1 ZINC000245712359 240260540 /nfs/dbraw/zinc/26/05/40/240260540.db2.gz CLEUHROEVKLETG-VDZJLULYSA-N -1 3 335.444 2.949 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000294733315 241049115 /nfs/dbraw/zinc/04/91/15/241049115.db2.gz QEMSSBJWRJADRX-ZDUSSCGKSA-N -1 3 342.842 2.729 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000294733307 241050348 /nfs/dbraw/zinc/05/03/48/241050348.db2.gz QEMSSBJWRJADRX-CYBMUJFWSA-N -1 3 342.842 2.729 10 10 EFCEHM [O-]c1c(Cl)cccc1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000362037919 242240134 /nfs/dbraw/zinc/24/01/34/242240134.db2.gz JYRCWUSGYMRRME-UHFFFAOYSA-N -1 3 332.835 2.963 10 10 EFCEHM CCCOCc1cc(CN2CCN(C)CC2)c([O-])c2ncccc12 ZINC000020439858 212129051 /nfs/dbraw/zinc/12/90/51/212129051.db2.gz CYVVTEZTJPBVPY-UHFFFAOYSA-N -1 3 329.444 2.614 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000186987060 296253914 /nfs/dbraw/zinc/25/39/14/296253914.db2.gz IOIXTOCBKRWPJZ-HNNXBMFYSA-N -1 3 333.771 2.965 10 10 EFCEHM C[C@@H](NC(=O)c1ccc([O-])c(O)c1)c1cnn(Cc2ccccc2)c1 ZINC000097235689 219001773 /nfs/dbraw/zinc/00/17/73/219001773.db2.gz BMKJAHCSZAQHKP-CYBMUJFWSA-N -1 3 337.379 2.834 10 10 EFCEHM C[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(Br)cc1[O-] ZINC000185663348 473481840 /nfs/dbraw/zinc/48/18/40/473481840.db2.gz RQCNLWBZQJSMHB-JOYOIKCWSA-N -1 3 337.221 2.932 10 10 EFCEHM CCN(C(=O)CN(Cc1ccco1)Cc1ccccc1[O-])C1CC1 ZINC000069596387 472377278 /nfs/dbraw/zinc/37/72/78/472377278.db2.gz SEBHTVVDROTHPO-UHFFFAOYSA-N -1 3 328.412 2.998 10 10 EFCEHM CCn1cc(CN2CCCN(Cc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000121625314 472882805 /nfs/dbraw/zinc/88/28/05/472882805.db2.gz IVXYJEZHURIRAX-UHFFFAOYSA-N -1 3 348.878 2.970 10 10 EFCEHM CC(C)c1nnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1C ZINC000111232879 473197862 /nfs/dbraw/zinc/19/78/62/473197862.db2.gz KZAKNMRZPPRMFK-MRXNPFEDSA-N -1 3 344.459 2.825 10 10 EFCEHM CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179484506 473689883 /nfs/dbraw/zinc/68/98/83/473689883.db2.gz BEONTSKPNCGXPN-CYBMUJFWSA-N -1 3 329.400 2.642 10 10 EFCEHM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000179484372 473690055 /nfs/dbraw/zinc/69/00/55/473690055.db2.gz PGGYWPNJGKTPDG-AWEZNQCLSA-N -1 3 329.400 2.734 10 10 EFCEHM Cc1cc(Cl)cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000179710839 473712297 /nfs/dbraw/zinc/71/22/97/473712297.db2.gz HHYLTSZVJZUSOX-AWEZNQCLSA-N -1 3 329.849 2.506 10 10 EFCEHM Cc1cc(Cl)cc(CN([C@H](C)CS(C)(=O)=O)C2CC2)c1[O-] ZINC000180245555 473836653 /nfs/dbraw/zinc/83/66/53/473836653.db2.gz JARMJBFQKQTXFZ-LLVKDONJSA-N -1 3 331.865 2.752 10 10 EFCEHM COc1ccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1F ZINC000182583481 474210230 /nfs/dbraw/zinc/21/02/30/474210230.db2.gz XVDPHKAYADDGLO-UHFFFAOYSA-N -1 3 330.359 2.502 10 10 EFCEHM Cn1cc2c(n1)CCC[C@H]2NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000282900586 474235507 /nfs/dbraw/zinc/23/55/07/474235507.db2.gz FKIVKHXOCHBUHH-GFCCVEGCSA-N -1 3 336.779 2.855 10 10 EFCEHM Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c([O-])c1O ZINC000182972804 474299522 /nfs/dbraw/zinc/29/95/22/474299522.db2.gz OQWCZFGJEPHZAF-XHDPSFHLSA-N -1 3 349.333 2.633 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CCO[C@]2(CCCOC2)C1 ZINC000289647218 474359880 /nfs/dbraw/zinc/35/98/80/474359880.db2.gz XWJHKUDMQKTETF-OAHLLOKOSA-N -1 3 342.233 2.536 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCN(C(=O)c3ccco3)CC2)c1[O-] ZINC000183467025 474383189 /nfs/dbraw/zinc/38/31/89/474383189.db2.gz XMFFYMNEBAWLNR-UHFFFAOYSA-N -1 3 334.803 2.905 10 10 EFCEHM [O-]c1cccc(Cl)c1CN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000271379806 474517240 /nfs/dbraw/zinc/51/72/40/474517240.db2.gz RGYKQEQXWAISSP-MLGOLLRUSA-N -1 3 337.803 2.963 10 10 EFCEHM CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184685403 474583937 /nfs/dbraw/zinc/58/39/37/474583937.db2.gz WDJLHJRJXSJRFP-CQSZACIVSA-N -1 3 340.851 2.935 10 10 EFCEHM COc1c([O-])c(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278533445 474686611 /nfs/dbraw/zinc/68/66/11/474686611.db2.gz VOFXJNSAEWGWKX-GXTWGEPZSA-N -1 3 338.404 2.538 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCCC[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000278589829 474724340 /nfs/dbraw/zinc/72/43/40/474724340.db2.gz DTRLMKMQPNUXOQ-AWEZNQCLSA-N -1 3 331.865 2.753 10 10 EFCEHM Cc1ccc(C(=O)NCCc2cccc(C(F)(F)F)n2)c([O-])c1O ZINC000293736020 475050504 /nfs/dbraw/zinc/05/05/04/475050504.db2.gz IJXOTDJBIZRCLV-UHFFFAOYSA-N -1 3 340.301 2.793 10 10 EFCEHM Cc1cc(Cl)cc(CN[C@@H](c2nccn2C)C(C)(C)CO)c1[O-] ZINC000294923276 475091825 /nfs/dbraw/zinc/09/18/25/475091825.db2.gz BBBUVWZEKQOLMJ-HNNXBMFYSA-N -1 3 337.851 2.937 10 10 EFCEHM COc1cc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)ccc1O ZINC000295225963 475113186 /nfs/dbraw/zinc/11/31/86/475113186.db2.gz RYEPZXRQZLGSJQ-MRXNPFEDSA-N -1 3 337.397 2.530 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN(CCO)CCOCC(F)(F)F ZINC000295295767 475118968 /nfs/dbraw/zinc/11/89/68/475118968.db2.gz JLJLKPGETUUUAF-UHFFFAOYSA-N -1 3 345.720 2.558 10 10 EFCEHM COc1c([O-])c(CN2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292757739 475185763 /nfs/dbraw/zinc/18/57/63/475185763.db2.gz JEQDKCNLAZMGJU-SMDDNHRTSA-N -1 3 328.315 2.786 10 10 EFCEHM COc1cc(Cl)cc(CN2CCC(Oc3cnccn3)CC2)c1[O-] ZINC000373263187 476388673 /nfs/dbraw/zinc/38/86/73/476388673.db2.gz FKEKZXTWYMMUAI-UHFFFAOYSA-N -1 3 349.818 2.888 10 10 EFCEHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)ccc1[O-] ZINC000373587215 476416353 /nfs/dbraw/zinc/41/63/53/476416353.db2.gz WFLMQHTULHOZPY-ZIAGYGMSSA-N -1 3 327.808 2.588 10 10 EFCEHM CCOC(=O)C1(COC)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000370119337 476673443 /nfs/dbraw/zinc/67/34/43/476673443.db2.gz GCYBCKNRHWLUIP-UHFFFAOYSA-N -1 3 341.835 2.837 10 10 EFCEHM C[C@@H](NCc1ccnn1C)c1cc(Br)c(F)cc1[O-] ZINC000756400301 575731214 /nfs/dbraw/zinc/73/12/14/575731214.db2.gz JLOTVJHKFSRENK-MRVPVSSYSA-N -1 3 328.185 2.878 10 10 EFCEHM C[C@@H](NC[C@H](O)C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756449135 575741451 /nfs/dbraw/zinc/74/14/51/575741451.db2.gz ITGKMFPDVFCISG-ANLVUFKYSA-N -1 3 346.118 2.868 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CO)c2sccc2C)c1 ZINC000756736606 575782315 /nfs/dbraw/zinc/78/23/15/575782315.db2.gz ORVBDIUPNCGANH-RISCZKNCSA-N -1 3 335.425 2.933 10 10 EFCEHM CCOC(=O)c1sc([C@@H](C)NC(=O)c2cc([O-])cs2)nc1C ZINC000757422688 575839135 /nfs/dbraw/zinc/83/91/35/575839135.db2.gz RIFACAQNROCZMR-MRVPVSSYSA-N -1 3 340.426 2.886 10 10 EFCEHM COc1cc(Cl)cc(CN2CC(=O)N(C(C)C)C(C)(C)C2)c1[O-] ZINC000761201999 576128837 /nfs/dbraw/zinc/12/88/37/576128837.db2.gz JZSLLJRJTHHUNW-UHFFFAOYSA-N -1 3 340.851 2.885 10 10 EFCEHM O=S1(=O)CCC(CN(Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000767427366 577208095 /nfs/dbraw/zinc/20/80/95/577208095.db2.gz ZCUABYNXSADWDA-UHFFFAOYSA-N -1 3 349.452 2.812 10 10 EFCEHM CCOc1ccc(CN[C@H](C)c2nnc3n2CCCCC3)c([O-])c1 ZINC000725845325 577246544 /nfs/dbraw/zinc/24/65/44/577246544.db2.gz WNNBNWOLCPPMJJ-CYBMUJFWSA-N -1 3 330.432 2.960 10 10 EFCEHM CN(Cc1nc2c(s1)CCCC2)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462625 577276024 /nfs/dbraw/zinc/27/60/24/577276024.db2.gz ASYUYPWJGVAKQR-HNNXBMFYSA-N -1 3 346.452 2.785 10 10 EFCEHM COc1cccc([O-])c1CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000769141896 577338572 /nfs/dbraw/zinc/33/85/72/577338572.db2.gz QNAIUQPVHWDXIS-UHFFFAOYSA-N -1 3 332.444 2.625 10 10 EFCEHM CCOc1ccc(CN2CCN(CC(F)F)[C@@H](CC)C2)c([O-])c1 ZINC000769513731 577368971 /nfs/dbraw/zinc/36/89/71/577368971.db2.gz HTNAGVFICXWQDY-AWEZNQCLSA-N -1 3 328.403 2.952 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c1 ZINC000726797057 577386856 /nfs/dbraw/zinc/38/68/56/577386856.db2.gz YILBNSGTMBUBHR-AWEZNQCLSA-N -1 3 332.743 2.686 10 10 EFCEHM C[C@@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850500000 1250510334 /nfs/dbraw/zinc/51/03/34/1250510334.db2.gz BVQJXJJIZFXFAH-ABAIWWIYSA-N -1 3 341.367 2.539 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nccc(OC)c2F)c1 ZINC000850537525 1250528031 /nfs/dbraw/zinc/52/80/31/1250528031.db2.gz RKZOOFVPFLJJSC-SNVBAGLBSA-N -1 3 334.347 2.572 10 10 EFCEHM COc1ccc([C@@H](NC(=O)NCc2c([O-])cccc2F)C2CC2)cn1 ZINC000923500730 1261797357 /nfs/dbraw/zinc/79/73/57/1261797357.db2.gz OMMOYQGLPHJQRW-KRWDZBQOSA-N -1 3 345.374 2.885 10 10 EFCEHM CCN1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1C ZINC000715739057 1263905743 /nfs/dbraw/zinc/90/57/43/1263905743.db2.gz WAARYBFVYLSYKA-SNVBAGLBSA-N -1 3 331.229 2.820 10 10 EFCEHM CC[C@H](COCC(F)(F)F)NC(=O)NCc1c([O-])cccc1F ZINC000922664503 1266547311 /nfs/dbraw/zinc/54/73/11/1266547311.db2.gz VAIHMMKASCPPJS-SECBINFHSA-N -1 3 338.301 2.688 10 10 EFCEHM CO[C@](C)(CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000922707972 1266627747 /nfs/dbraw/zinc/62/77/47/1266627747.db2.gz GVQWHNHNCRDBSY-GOSISDBHSA-N -1 3 332.375 2.892 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124757 1278419440 /nfs/dbraw/zinc/41/94/40/1278419440.db2.gz XJYJZLMNMPKLLG-MADCSZMMSA-N -1 3 327.705 2.930 10 10 EFCEHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000843936794 1278688368 /nfs/dbraw/zinc/68/83/68/1278688368.db2.gz UPGLQAXWLMBPQX-WCQYABFASA-N -1 3 335.400 2.538 10 10 EFCEHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000843936797 1278686910 /nfs/dbraw/zinc/68/69/10/1278686910.db2.gz UPGLQAXWLMBPQX-YPMHNXCESA-N -1 3 335.400 2.538 10 10 EFCEHM Cc1cc(Br)c([O-])c(CNc2nnc(C(C)(C)O)o2)c1 ZINC000788449688 1276175991 /nfs/dbraw/zinc/17/59/91/1276175991.db2.gz PPTMJVSXAOHLBJ-UHFFFAOYSA-N -1 3 342.193 2.686 10 10 EFCEHM COC[C@H](NC(=O)NCc1c([O-])cccc1F)c1cccc(OC)c1 ZINC000923248605 1277365251 /nfs/dbraw/zinc/36/52/51/1277365251.db2.gz XYACMFQSPYMZGF-INIZCTEOSA-N -1 3 348.374 2.727 10 10 EFCEHM COc1cc2nc(NC(=O)c3cccc(O)c3[O-])sc2cc1OC ZINC000790495364 1277600493 /nfs/dbraw/zinc/60/04/93/1277600493.db2.gz PRHVPTDMUWJYDT-UHFFFAOYSA-N -1 3 346.364 2.977 10 10 EFCEHM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790739296 1277754094 /nfs/dbraw/zinc/75/40/94/1277754094.db2.gz YNMHOGNEIVCHTA-CYBMUJFWSA-N -1 3 343.379 2.549 10 10 EFCEHM CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000794113402 1280033730 /nfs/dbraw/zinc/03/37/30/1280033730.db2.gz LYYVFPCYWCBPNS-UHFFFAOYSA-N -1 3 343.383 2.824 10 10 EFCEHM CC(C)n1cc(CNCc2cc(Br)ccc2[O-])nn1 ZINC000809713098 1282422753 /nfs/dbraw/zinc/42/27/53/1282422753.db2.gz INFHTBASUJRTJW-UHFFFAOYSA-N -1 3 325.210 2.617 10 10 EFCEHM COC(=O)CN(Cc1oc(C)nc1C)Cc1cc(Cl)ccc1[O-] ZINC000809961471 1282692242 /nfs/dbraw/zinc/69/22/42/1282692242.db2.gz ULKYTSJJBPRDDY-UHFFFAOYSA-N -1 3 338.791 2.826 10 10 EFCEHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573716 1288212787 /nfs/dbraw/zinc/21/27/87/1288212787.db2.gz IRGQLRAMRPTBBY-VXGBXAGGSA-N -1 3 345.798 2.727 10 10 EFCEHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573714 1288212932 /nfs/dbraw/zinc/21/29/32/1288212932.db2.gz IRGQLRAMRPTBBY-NWDGAFQWSA-N -1 3 345.798 2.727 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCO[C@](C)(C(F)(F)F)C2)c1[O-] ZINC000879505251 1292161259 /nfs/dbraw/zinc/16/12/59/1292161259.db2.gz WTRBEGKASHTQDB-AWEZNQCLSA-N -1 3 335.297 2.887 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CC(C)(C)CO1 ZINC001191682777 1292612448 /nfs/dbraw/zinc/61/24/48/1292612448.db2.gz SMSQMVAFXUODGC-CQSZACIVSA-N -1 3 341.835 2.836 10 10 EFCEHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928710370 1297125417 /nfs/dbraw/zinc/12/54/17/1297125417.db2.gz CGPNTNTUMSBLSE-AWEZNQCLSA-N -1 3 336.407 2.575 10 10 EFCEHM CSc1nc(C)c(CCC(=O)NCc2c([O-])cccc2F)c(C)n1 ZINC000928709571 1297126309 /nfs/dbraw/zinc/12/63/09/1297126309.db2.gz JPTSNXAOVHQPKA-UHFFFAOYSA-N -1 3 349.431 2.909 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCC3=C(CCC(=O)N3)C2)c1[O-] ZINC000852299128 1299637941 /nfs/dbraw/zinc/63/79/41/1299637941.db2.gz MROJTIMAUVFZMU-UHFFFAOYSA-N -1 3 334.803 2.618 10 10 EFCEHM C[C@@H](NCc1cn(C)nc1Br)c1c([O-])cccc1F ZINC000903188687 1312443557 /nfs/dbraw/zinc/44/35/57/1312443557.db2.gz VZPKUVPPGCZVII-MRVPVSSYSA-N -1 3 328.185 2.878 10 10 EFCEHM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001292106932 1322038221 /nfs/dbraw/zinc/03/82/21/1322038221.db2.gz BFKUMPTVRBPOPZ-UHFFFAOYSA-N -1 3 328.368 2.878 10 10 EFCEHM O=C(COCc1nc2ccccc2s1)NCc1c([O-])cccc1F ZINC001303877730 1324623521 /nfs/dbraw/zinc/62/35/21/1324623521.db2.gz FHUOZAYDVMMITH-UHFFFAOYSA-N -1 3 346.383 2.974 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccnc(OCC(F)(F)F)c1 ZINC001303877351 1324623913 /nfs/dbraw/zinc/62/39/13/1324623913.db2.gz BHKOWBJDCZNPCP-UHFFFAOYSA-N -1 3 344.264 2.797 10 10 EFCEHM C[C@@H](C(=O)NCc1c([O-])cccc1F)n1ccc2ccccc2c1=O ZINC001303875372 1324624124 /nfs/dbraw/zinc/62/41/24/1324624124.db2.gz GOIDXOYEPAAIOC-LBPRGKRZSA-N -1 3 340.354 2.724 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccc([C@@H](C)CC(N)=O)cc2)c([O-])c1O ZINC001304179888 1324644493 /nfs/dbraw/zinc/64/44/93/1324644493.db2.gz REJGCDUQHULTML-NSHDSACASA-N -1 3 328.368 2.637 10 10 EFCEHM Cc1cc(CCN=c2ncnc3[nH][n-]cc2-3)c(C)n1-c1ccccc1 ZINC001307179061 1324747718 /nfs/dbraw/zinc/74/77/18/1324747718.db2.gz LSNQJJZAORVABK-UHFFFAOYSA-N -1 3 332.411 2.789 10 10 EFCEHM CCOCc1cc(CN[C@H](CC(=O)[O-])c2ccncc2)ccc1OC ZINC000849231193 1335572800 /nfs/dbraw/zinc/57/28/00/1335572800.db2.gz WJQGTESVFIFBIG-QGZVFWFLSA-N -1 3 344.411 2.932 10 10 EFCEHM CCOCc1cc(CN[C@@H](CC(=O)[O-])c2ccncc2)ccc1OC ZINC000849231192 1335572851 /nfs/dbraw/zinc/57/28/51/1335572851.db2.gz WJQGTESVFIFBIG-KRWDZBQOSA-N -1 3 344.411 2.932 10 10 EFCEHM CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2[O-])N(C)C)cc1 ZINC001439959021 1389370330 /nfs/dbraw/zinc/37/03/30/1389370330.db2.gz BELKDIPHBJBQMF-KRWDZBQOSA-N -1 3 345.418 2.630 10 10 EFCEHM Cc1ccc(C(=O)Nc2cc(-c3nc[nH]n3)ccc2F)c([O-])c1O ZINC001448619835 1392117551 /nfs/dbraw/zinc/11/75/51/1392117551.db2.gz KCAAOJSLLMGQSW-UHFFFAOYSA-N -1 3 328.303 2.583 10 10 EFCEHM O=C(NCCOc1ccc(F)c(Cl)c1)c1cccc(O)c1[O-] ZINC001468207606 1396933689 /nfs/dbraw/zinc/93/36/89/1396933689.db2.gz CIPBVICXIJACBC-UHFFFAOYSA-N -1 3 325.723 2.699 10 10 EFCEHM Cc1c(Br)cncc1C(=O)NCc1c([O-])cccc1F ZINC001646034961 1416604043 /nfs/dbraw/zinc/60/40/43/1416604043.db2.gz PRNDWGFYIJHIPK-UHFFFAOYSA-N -1 3 339.164 2.927 10 10 EFCEHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000175810830 714210652 /nfs/dbraw/zinc/21/06/52/714210652.db2.gz VDMXLSGIDJZKDY-JTQLQIEISA-N -1 3 325.380 2.896 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2Cn2ccnc2)c1[O-] ZINC000188403138 714539907 /nfs/dbraw/zinc/53/99/07/714539907.db2.gz BWEWYICSCGISPS-CYBMUJFWSA-N -1 3 336.779 2.815 10 10 EFCEHM CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928709449 724586919 /nfs/dbraw/zinc/58/69/19/724586919.db2.gz ILPPIPPZQGNNGS-NSHDSACASA-N -1 3 340.395 2.793 10 10 EFCEHM O=C(Cc1ccccc1N1CCCC1=O)NCc1c([O-])cccc1F ZINC000928710362 724587148 /nfs/dbraw/zinc/58/71/48/724587148.db2.gz KSBHXXAKVZHZOO-UHFFFAOYSA-N -1 3 342.370 2.517 10 10 EFCEHM Cc1cc([O-])c(CN2CCC3(CCC3)S(=O)(=O)CC2)c(Cl)c1 ZINC000840969211 719769255 /nfs/dbraw/zinc/76/92/55/719769255.db2.gz CGLJRKUWIPOLIH-UHFFFAOYSA-N -1 3 343.876 2.897 10 10 EFCEHM COC(=O)[C@@H](COC(C)C)N(C)Cc1c([O-])cc(C)cc1Cl ZINC000840919948 721053806 /nfs/dbraw/zinc/05/38/06/721053806.db2.gz BQEDKSBWRRLPAB-CQSZACIVSA-N -1 3 329.824 2.752 10 10 EFCEHM [O-]c1c(F)cc(F)cc1CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000894881457 722937445 /nfs/dbraw/zinc/93/74/45/722937445.db2.gz PHPDZLXOOVMZQF-YJBOKZPZSA-N -1 3 337.341 2.970 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836834 724344052 /nfs/dbraw/zinc/34/40/52/724344052.db2.gz PKQAWRKHPQQJAR-LBPRGKRZSA-N -1 3 327.705 2.931 10 10 EFCEHM COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Cl)c(C)cc1[O-] ZINC000895867311 724361797 /nfs/dbraw/zinc/36/17/97/724361797.db2.gz VTHSCNRUPYNRSA-TZMCWYRMSA-N -1 3 327.808 2.554 10 10 EFCEHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCN1CC(F)F ZINC000153531149 726914853 /nfs/dbraw/zinc/91/48/53/726914853.db2.gz OEVQFJIZFHLWBY-CQSZACIVSA-N -1 3 344.377 2.895 10 10 EFCEHM CCCOc1ccc(CNC(=O)NCc2c([O-])cccc2F)cn1 ZINC000917408040 727804243 /nfs/dbraw/zinc/80/42/43/727804243.db2.gz SUAHMUPKBAXTLX-UHFFFAOYSA-N -1 3 333.363 2.715 10 10 EFCEHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1c([O-])cccc1F ZINC000919081170 728969409 /nfs/dbraw/zinc/96/94/09/728969409.db2.gz IRGDZRMONJWHJX-UHFFFAOYSA-N -1 3 331.391 2.905 10 10 EFCEHM Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCc1c([O-])cccc1F ZINC000919143670 728979368 /nfs/dbraw/zinc/97/93/68/728979368.db2.gz LMXSCDMMMQKJHB-OAHLLOKOSA-N -1 3 330.363 2.507 10 10 EFCEHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n(-c2ccc(F)cc2)n1 ZINC001584574163 1092207525 /nfs/dbraw/zinc/20/75/25/1092207525.db2.gz KTFWRFLLMGIUSN-UHFFFAOYSA-N -1 3 327.315 2.983 10 10 EFCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001597108811 1094565746 /nfs/dbraw/zinc/56/57/46/1094565746.db2.gz DPRNWJUEYJJGPB-UHFFFAOYSA-N -1 3 341.285 2.907 10 10 EFCEHM O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1cccc(O)c1[O-] ZINC001597866890 1094633567 /nfs/dbraw/zinc/63/35/67/1094633567.db2.gz ZPAVUTXFXNQWOZ-ZDUSSCGKSA-N -1 3 327.258 2.946 10 10 EFCEHM Cc1ccc(C(=O)Nc2cccc(NC(=O)N(C)C)c2)c([O-])c1O ZINC001627798352 1100034362 /nfs/dbraw/zinc/03/43/62/1100034362.db2.gz FXUIOCTXAKQTTH-UHFFFAOYSA-N -1 3 329.356 2.752 10 10 EFCEHM O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cccc(O)c1[O-] ZINC001630294893 1100290835 /nfs/dbraw/zinc/29/08/35/1100290835.db2.gz KPIOMVDVWAKZOR-UHFFFAOYSA-N -1 3 341.367 2.978 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cccc(Nc2ncccn2)c1 ZINC001635360160 1100656508 /nfs/dbraw/zinc/65/65/08/1100656508.db2.gz BNGKMKKMCUWCDT-UHFFFAOYSA-N -1 3 338.342 2.995 10 10 EFCEHM O=C(NCCc1ccc(O)c(O)c1)c1cc2sccc2c([O-])c1 ZINC001636022599 1100694477 /nfs/dbraw/zinc/69/44/77/1100694477.db2.gz MVUNEQFHDYKFSK-UHFFFAOYSA-N -1 3 329.377 2.991 10 10 EFCEHM CCc1noc([C@H]2CC[C@@H](NC(=O)NCc3c([O-])cccc3F)C2)n1 ZINC001638743976 1100883127 /nfs/dbraw/zinc/88/31/27/1100883127.db2.gz WDRAOONYOBYARX-WDEREUQCSA-N -1 3 348.378 2.612 10 10 EFCEHM CN1CCCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001638829661 1100889662 /nfs/dbraw/zinc/88/96/62/1100889662.db2.gz VPSYZHBEJGAJMO-GFCCVEGCSA-N -1 3 346.258 2.983 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc(N2CCCC2=O)cc1 ZINC001638858241 1100891896 /nfs/dbraw/zinc/89/18/96/1100891896.db2.gz NHRIAEWLWUQJNF-UHFFFAOYSA-N -1 3 328.343 2.588 10 10 EFCEHM Cc1ccc(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)c([O-])c1O ZINC001642885192 1101253012 /nfs/dbraw/zinc/25/30/12/1101253012.db2.gz BUICHDMXSJLPOT-CQSZACIVSA-N -1 3 326.352 2.610 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc3c2CN(C)C3=O)c1 ZINC000840857989 1101867547 /nfs/dbraw/zinc/86/75/47/1101867547.db2.gz WVDSTUXGBJWPLX-LLVKDONJSA-N -1 3 340.379 2.938 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc3c2CN(C)C3=O)c1 ZINC000840857990 1101869447 /nfs/dbraw/zinc/86/94/47/1101869447.db2.gz WVDSTUXGBJWPLX-NSHDSACASA-N -1 3 340.379 2.938 10 10 EFCEHM O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000840998369 1102705841 /nfs/dbraw/zinc/70/58/41/1102705841.db2.gz BHLLRJYEPZGULB-OAHLLOKOSA-N -1 3 343.379 2.687 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCOc2ccc(F)cc21 ZINC001681387045 1108240491 /nfs/dbraw/zinc/24/04/91/1108240491.db2.gz YIZCEZRCLYVGQK-CQSZACIVSA-N -1 3 334.322 2.993 10 10 EFCEHM Nc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000034957411 202282312 /nfs/dbraw/zinc/28/23/12/202282312.db2.gz CVPYBJIWUAFLJM-UHFFFAOYSA-N -1 3 327.203 2.832 10 10 EFCEHM C[C@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000245809731 240262082 /nfs/dbraw/zinc/26/20/82/240262082.db2.gz ZELVSZBTMMVMHK-QWRGUYRKSA-N -1 3 333.259 2.586 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000247217556 240278599 /nfs/dbraw/zinc/27/85/99/240278599.db2.gz VUDVMLNADFPHMY-TZMCWYRMSA-N -1 3 344.274 2.861 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000247297044 240279182 /nfs/dbraw/zinc/27/91/82/240279182.db2.gz ULVFZZIFYFELGJ-CABCVRRESA-N -1 3 341.860 2.955 10 10 EFCEHM COc1cc(Cl)cc(CN2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000248852334 240296196 /nfs/dbraw/zinc/29/61/96/240296196.db2.gz BIYCNVYVYRWWBE-OCCSQVGLSA-N -1 3 329.849 2.761 10 10 EFCEHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc([O-])c1 ZINC000272546904 240667959 /nfs/dbraw/zinc/66/79/59/240667959.db2.gz AGUCSRSDOUISPJ-UHFFFAOYSA-N -1 3 340.423 2.531 10 10 EFCEHM CCN(CC)c1ccc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc1 ZINC000000201259 201446944 /nfs/dbraw/zinc/44/69/44/201446944.db2.gz YHPWNGYUOKNVGC-HNNXBMFYSA-N -1 3 334.445 2.534 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C(N)=O)c3ccccc32)c1[O-] ZINC000366988466 242370499 /nfs/dbraw/zinc/37/04/99/242370499.db2.gz SLBUQBLDNJLHGD-OAHLLOKOSA-N -1 3 342.370 2.713 10 10 EFCEHM O=C1C[C@@H]([C@@H]2CCCCN2Cc2c([O-])ccc(Cl)c2F)CN1 ZINC000364470687 242297748 /nfs/dbraw/zinc/29/77/48/242297748.db2.gz DDENKKYMFLAKKZ-MFKMUULPSA-N -1 3 326.799 2.675 10 10 EFCEHM Cc1cccc(NC[C@H]2CCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000365559563 242328925 /nfs/dbraw/zinc/32/89/25/242328925.db2.gz SLRXHLCHEKKNIX-CYBMUJFWSA-N -1 3 327.384 2.518 10 10 EFCEHM O=C(Nc1ccc([O-])c(CN2CCOCC2)c1)c1cc(F)cc(F)c1 ZINC000071916747 203150421 /nfs/dbraw/zinc/15/04/21/203150421.db2.gz AATNYFHQMKULJX-UHFFFAOYSA-N -1 3 348.349 2.755 10 10 EFCEHM Cn1cc([C@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cn1 ZINC000128413772 472446885 /nfs/dbraw/zinc/44/68/85/472446885.db2.gz LWGQZQIFMOGFPN-JTQLQIEISA-N -1 3 336.779 2.677 10 10 EFCEHM Cc1ccc([C@H]2CC(c3ccccc3[O-])=NN2S(C)(=O)=O)cc1 ZINC000097165879 472470526 /nfs/dbraw/zinc/47/05/26/472470526.db2.gz LETXHYWUCNNSOE-MRXNPFEDSA-N -1 3 330.409 2.811 10 10 EFCEHM Cc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2S(C)(=O)=O)cc1 ZINC000097165878 472470560 /nfs/dbraw/zinc/47/05/60/472470560.db2.gz LETXHYWUCNNSOE-INIZCTEOSA-N -1 3 330.409 2.811 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN(C)[C@H](C)C[S@@](C)=O)c1 ZINC000108395034 473024045 /nfs/dbraw/zinc/02/40/45/473024045.db2.gz SVCYASXJMBMBJR-MGNBDDOMSA-N -1 3 334.279 2.662 10 10 EFCEHM CC[C@@H](CO)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093740081 473136553 /nfs/dbraw/zinc/13/65/53/473136553.db2.gz BERXCPOAWSYCRF-ZDUSSCGKSA-N -1 3 333.259 2.588 10 10 EFCEHM CC(C)(C)n1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)nn1 ZINC000191169992 473496825 /nfs/dbraw/zinc/49/68/25/473496825.db2.gz NEKLHUNJSTZTPR-QGZVFWFLSA-N -1 3 344.459 2.920 10 10 EFCEHM C[C@@H]1CN(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CCO1 ZINC000191258232 473519323 /nfs/dbraw/zinc/51/93/23/473519323.db2.gz HDGMVBBHRCDQJW-GFCCVEGCSA-N -1 3 342.842 2.870 10 10 EFCEHM O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1cccc(O)c1[O-] ZINC000185894828 473540783 /nfs/dbraw/zinc/54/07/83/473540783.db2.gz QDPCSOUXQYODOL-UHFFFAOYSA-N -1 3 349.333 2.812 10 10 EFCEHM O=C1[C@H](NCc2c([O-])ccc(Cl)c2F)CCCN1c1cccnc1 ZINC000191587333 473557574 /nfs/dbraw/zinc/55/75/74/473557574.db2.gz BPYOTVUXZIJMJT-CQSZACIVSA-N -1 3 349.793 2.865 10 10 EFCEHM [O-]c1c(Cl)cccc1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000180084212 473793751 /nfs/dbraw/zinc/79/37/51/473793751.db2.gz ZUOQSVJWACVMSX-SFHVURJKSA-N -1 3 346.858 2.897 10 10 EFCEHM [O-]c1cccc(Cl)c1CNCc1cccc(N2CCOCC2)n1 ZINC000274849121 473988144 /nfs/dbraw/zinc/98/81/44/473988144.db2.gz XSMJZDRJPHCOGC-UHFFFAOYSA-N -1 3 333.819 2.567 10 10 EFCEHM CC(=O)Nc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000264587218 474049825 /nfs/dbraw/zinc/04/98/25/474049825.db2.gz FHHCOMYYJDLJOF-ZDUSSCGKSA-N -1 3 341.411 2.810 10 10 EFCEHM Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c([O-])c1O ZINC000182972846 474299190 /nfs/dbraw/zinc/29/91/90/474299190.db2.gz OQWCZFGJEPHZAF-NHYWBVRUSA-N -1 3 349.333 2.633 10 10 EFCEHM Cc1ccc(OC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)nc1 ZINC000182986733 474302030 /nfs/dbraw/zinc/30/20/30/474302030.db2.gz PTKKFNUUBOJJJD-UHFFFAOYSA-N -1 3 342.395 2.793 10 10 EFCEHM COc1c([O-])c(CN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278155607 474602316 /nfs/dbraw/zinc/60/23/16/474602316.db2.gz CWSJSFCNWGEDOO-UHFFFAOYSA-N -1 3 343.383 2.631 10 10 EFCEHM COc1cc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])cc(OC)c1 ZINC000272826153 474626166 /nfs/dbraw/zinc/62/61/66/474626166.db2.gz PGCVQZLEVBCVLV-UHFFFAOYSA-N -1 3 331.368 2.696 10 10 EFCEHM COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000278566665 474708470 /nfs/dbraw/zinc/70/84/70/474708470.db2.gz BYVRYBVNJNQXEA-AWEZNQCLSA-N -1 3 332.356 2.786 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(CO)c(F)c2)c1 ZINC000273419081 474888914 /nfs/dbraw/zinc/88/89/14/474888914.db2.gz RTNBVAHKDCEQLO-LLVKDONJSA-N -1 3 333.359 2.661 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCN(c3ncc(F)cn3)CC2)c1[O-] ZINC000273717193 475026026 /nfs/dbraw/zinc/02/60/26/475026026.db2.gz HNEHQMAYMRRAFC-UHFFFAOYSA-N -1 3 336.798 2.605 10 10 EFCEHM COc1cc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)ccc1O ZINC000280493449 475029159 /nfs/dbraw/zinc/02/91/59/475029159.db2.gz BXNLNLUYNPUOGY-UHFFFAOYSA-N -1 3 337.397 2.827 10 10 EFCEHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c(C)c1C ZINC000280580408 475034405 /nfs/dbraw/zinc/03/44/05/475034405.db2.gz MQCJYGAFLVXYGC-UHFFFAOYSA-N -1 3 337.397 2.827 10 10 EFCEHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1O ZINC000280677876 475043576 /nfs/dbraw/zinc/04/35/76/475043576.db2.gz ZCCZSBKQSHSTEN-SNVBAGLBSA-N -1 3 335.381 2.525 10 10 EFCEHM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Cl)ccc1[O-] ZINC000373587213 476416572 /nfs/dbraw/zinc/41/65/72/476416572.db2.gz WFLMQHTULHOZPY-KGLIPLIRSA-N -1 3 327.808 2.588 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC(Oc3cnccn3)CC2)c1[O-] ZINC000369721394 476493800 /nfs/dbraw/zinc/49/38/00/476493800.db2.gz DRSZVKBQKLLWMG-UHFFFAOYSA-N -1 3 345.374 2.567 10 10 EFCEHM Cc1cc(Br)cc(CN2CC(F)(F)C[C@H]2CO)c1[O-] ZINC000364664236 476539511 /nfs/dbraw/zinc/53/95/11/476539511.db2.gz VMIKDLOQJAKPOX-NSHDSACASA-N -1 3 336.176 2.665 10 10 EFCEHM CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@@]2(CCOC2)O1 ZINC000376673131 477454641 /nfs/dbraw/zinc/45/46/41/477454641.db2.gz PTKQJCWAWXDHBX-WMLDXEAASA-N -1 3 341.835 2.824 10 10 EFCEHM Cc1ccc(C(=O)N2CCc3nc(C(C)C)ncc3C2)c([O-])c1O ZINC000527628076 478453676 /nfs/dbraw/zinc/45/36/76/478453676.db2.gz KXTORVNJZYJFOG-UHFFFAOYSA-N -1 3 327.384 2.518 10 10 EFCEHM CC1(N2CCOCC2)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000529662550 479237347 /nfs/dbraw/zinc/23/73/47/479237347.db2.gz HKQJGVJJXWOCJL-UHFFFAOYSA-N -1 3 342.842 2.871 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000177189284 527206094 /nfs/dbraw/zinc/20/60/94/527206094.db2.gz UUXYXKMRSCFMGI-LBPRGKRZSA-N -1 3 333.819 2.971 10 10 EFCEHM CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295484059 535648318 /nfs/dbraw/zinc/64/83/18/535648318.db2.gz XFVQEDWOYFSYNW-CVEARBPZSA-N -1 3 343.826 2.937 10 10 EFCEHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@]2(CCOC2)O1 ZINC000366566491 536153294 /nfs/dbraw/zinc/15/32/94/536153294.db2.gz AGYFSIOVQDEFKB-MAUKXSAKSA-N -1 3 337.391 2.504 10 10 EFCEHM CO[C@@H]1CC[C@H]2OCCN(Cc3c([O-])ccc4ccncc43)[C@@H]2C1 ZINC000754797328 575492382 /nfs/dbraw/zinc/49/23/82/575492382.db2.gz NTIDTXIXDRCFAG-LSBZLQRGSA-N -1 3 328.412 2.709 10 10 EFCEHM C[C@H](NCc1cccnc1-n1ccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756392023 575729568 /nfs/dbraw/zinc/72/95/68/575729568.db2.gz GRLKSNMFCOEWJB-LBPRGKRZSA-N -1 3 339.355 2.732 10 10 EFCEHM C[C@H](NC[C@H](O)C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756449136 575741444 /nfs/dbraw/zinc/74/14/44/575741444.db2.gz ITGKMFPDVFCISG-CDUCUWFYSA-N -1 3 346.118 2.868 10 10 EFCEHM C[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccc(F)cc1[O-] ZINC000756866246 575794684 /nfs/dbraw/zinc/79/46/84/575794684.db2.gz YFENYECWSVSAJT-GFCCVEGCSA-N -1 3 346.406 2.960 10 10 EFCEHM CCOC(=O)c1sc([C@H](C)NC(=O)c2cc([O-])cs2)nc1C ZINC000757422691 575839141 /nfs/dbraw/zinc/83/91/41/575839141.db2.gz RIFACAQNROCZMR-QMMMGPOBSA-N -1 3 340.426 2.886 10 10 EFCEHM COC(=O)c1cc2ccccc2c(CN2CCO[C@H](C)[C@H]2C)c1[O-] ZINC000765098053 577006779 /nfs/dbraw/zinc/00/67/79/577006779.db2.gz CQJJDYZODKGNPS-CHWSQXEVSA-N -1 3 329.396 2.941 10 10 EFCEHM CNC(=O)c1ccc(CN(Cc2c([O-])cccc2OC)C2CC2)cc1 ZINC000768423555 577272888 /nfs/dbraw/zinc/27/28/88/577272888.db2.gz IEZBZSSPHZQOQC-UHFFFAOYSA-N -1 3 340.423 2.925 10 10 EFCEHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H](c2ccccc2)O1 ZINC000768442222 577273780 /nfs/dbraw/zinc/27/37/80/577273780.db2.gz KTEKGKRJQRKOIA-ORPRQENYSA-N -1 3 341.407 2.780 10 10 EFCEHM [O-]c1cc2c(cc1CN1CCc3ccc(F)c(F)c3C1)[C@@H](O)CO2 ZINC000768462497 577275650 /nfs/dbraw/zinc/27/56/50/577275650.db2.gz MAMUZWRMDNHKMM-INIZCTEOSA-N -1 3 333.334 2.655 10 10 EFCEHM CCOc1ccc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000770350478 577412267 /nfs/dbraw/zinc/41/22/67/577412267.db2.gz HLCUBSRXFRMXPS-MAUKXSAKSA-N -1 3 347.411 2.708 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN[C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000850351866 1250446444 /nfs/dbraw/zinc/44/64/44/1250446444.db2.gz JHGDPDGCYPPSJH-JOYOIKCWSA-N -1 3 337.221 2.850 10 10 EFCEHM C[C@]1(CNC(=O)NCc2c([O-])cccc2F)COc2ccccc2O1 ZINC000923388270 1261596973 /nfs/dbraw/zinc/59/69/73/1261596973.db2.gz HNLXLAQGMOILHJ-SFHVURJKSA-N -1 3 346.358 2.561 10 10 EFCEHM Cc1cccc2c1C[C@H](NC(=O)NCc1c([O-])cccc1F)CO2 ZINC000923399098 1261608452 /nfs/dbraw/zinc/60/84/52/1261608452.db2.gz NZJQFBKHXNFKMR-LBPRGKRZSA-N -1 3 330.359 2.643 10 10 EFCEHM CO[C@@H](CNC(=O)NCc1c([O-])cccc1F)Cc1ccccc1 ZINC000922668140 1266555592 /nfs/dbraw/zinc/55/55/92/1266555592.db2.gz CMAQDTHPYJPMOV-CQSZACIVSA-N -1 3 332.375 2.588 10 10 EFCEHM Cc1cc(N(C)C)ccc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000734468180 1266975859 /nfs/dbraw/zinc/97/58/59/1266975859.db2.gz PFOHALLRFBDWFJ-UHFFFAOYSA-N -1 3 335.407 2.833 10 10 EFCEHM [O-]c1cc(Br)ccc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000824855423 1278315953 /nfs/dbraw/zinc/31/59/53/1278315953.db2.gz KAWWCVMWHKRDPM-LLVKDONJSA-N -1 3 340.139 2.654 10 10 EFCEHM COc1nn(C)cc1NCc1cc(C)cc(Br)c1[O-] ZINC000788972169 1276421709 /nfs/dbraw/zinc/42/17/09/1276421709.db2.gz WMKPLXHYMITGJA-UHFFFAOYSA-N -1 3 326.194 2.817 10 10 EFCEHM [O-]c1cccc(Br)c1CNCc1noc2c1COCC2 ZINC000923014520 1276525119 /nfs/dbraw/zinc/52/51/19/1276525119.db2.gz HXSJQRFMHOGWHS-UHFFFAOYSA-N -1 3 339.189 2.505 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)c([O-])c1O ZINC000790161339 1277303670 /nfs/dbraw/zinc/30/36/70/1277303670.db2.gz JLHBKYZXMIIHGP-UHFFFAOYSA-N -1 3 344.367 2.545 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CC(O)(c2cccc3ccccc32)C1 ZINC001144145597 1279159396 /nfs/dbraw/zinc/15/93/96/1279159396.db2.gz CHRPNDBHWGKXOB-UHFFFAOYSA-N -1 3 335.359 2.595 10 10 EFCEHM Cc1ccc([C@H](C)N(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000846237615 1280082059 /nfs/dbraw/zinc/08/20/59/1280082059.db2.gz FXJQTEDKMHBGGX-LBPRGKRZSA-N -1 3 340.383 2.635 10 10 EFCEHM Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000804516736 1280261694 /nfs/dbraw/zinc/26/16/94/1280261694.db2.gz WEROHBSCLWRTFT-GOSISDBHSA-N -1 3 341.407 2.992 10 10 EFCEHM Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000804516850 1280261933 /nfs/dbraw/zinc/26/19/33/1280261933.db2.gz WEROHBSCLWRTFT-SFHVURJKSA-N -1 3 341.407 2.992 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCCCN(C)C2=O)c1[O-] ZINC000872264128 1287508210 /nfs/dbraw/zinc/50/82/10/1287508210.db2.gz ZGNMIDWFXNEHHF-HNNXBMFYSA-N -1 3 338.835 2.691 10 10 EFCEHM Nc1nccc([C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000809663061 1282391786 /nfs/dbraw/zinc/39/17/86/1282391786.db2.gz JTFJNSMFQDVYMJ-JTQLQIEISA-N -1 3 336.798 2.937 10 10 EFCEHM CC(C)(C)n1cc(CNCc2cc(Br)ccc2[O-])nn1 ZINC000809713171 1282422903 /nfs/dbraw/zinc/42/29/03/1282422903.db2.gz KPDQLALSNZDXPR-UHFFFAOYSA-N -1 3 339.237 2.791 10 10 EFCEHM COC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])cc2[nH]ccc21 ZINC000813867074 1286149981 /nfs/dbraw/zinc/14/99/81/1286149981.db2.gz BCEXVOOFGQHUPL-UHFFFAOYSA-N -1 3 340.335 2.926 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001178413352 1288781218 /nfs/dbraw/zinc/78/12/18/1288781218.db2.gz QXDOJLMVCLDRLS-STQMWFEESA-N -1 3 330.315 2.859 10 10 EFCEHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccc2O)o1 ZINC000796191442 1292385429 /nfs/dbraw/zinc/38/54/29/1292385429.db2.gz UNJIILRYLDSMJG-UHFFFAOYSA-N -1 3 346.202 2.535 10 10 EFCEHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000776012389 1295680692 /nfs/dbraw/zinc/68/06/92/1295680692.db2.gz GGVFVARSZYFOAQ-STQMWFEESA-N -1 3 345.798 2.727 10 10 EFCEHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000776012382 1295680993 /nfs/dbraw/zinc/68/09/93/1295680993.db2.gz GGVFVARSZYFOAQ-CHWSQXEVSA-N -1 3 345.798 2.727 10 10 EFCEHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000776747886 1300614495 /nfs/dbraw/zinc/61/44/95/1300614495.db2.gz PWOIZYHXGBHGSD-YHYXMXQVSA-N -1 3 347.392 2.688 10 10 EFCEHM COC(=O)[C@@H]1C[C@@H](C)N(Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000860189330 1301735325 /nfs/dbraw/zinc/73/53/25/1301735325.db2.gz SCQOQSMVRJMQSV-PTEHBNRSSA-N -1 3 337.391 2.896 10 10 EFCEHM CC1(C)CN(Cc2c([O-])cccc2Br)[C@@H]2COC[C@H]2O1 ZINC000862402233 1302370400 /nfs/dbraw/zinc/37/04/00/1302370400.db2.gz KDSDLMYQZKVSJV-TZMCWYRMSA-N -1 3 342.233 2.533 10 10 EFCEHM C[C@](CO)(NCc1c([O-])ccc(Cl)c1F)c1cccc(O)c1 ZINC000862432471 1302383546 /nfs/dbraw/zinc/38/35/46/1302383546.db2.gz FGOJUJHPXQOIDT-MRXNPFEDSA-N -1 3 325.767 2.888 10 10 EFCEHM O=C([N-]Cc1ccc(O)cc1O)C(F)(F)c1cc(F)cc(F)c1 ZINC001162278326 1312079210 /nfs/dbraw/zinc/07/92/10/1312079210.db2.gz HEZKGNQOHKSISN-UHFFFAOYSA-N -1 3 329.249 2.784 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nc(CN(C)C)cs2)c1 ZINC000903223245 1312477165 /nfs/dbraw/zinc/47/71/65/1312477165.db2.gz YOSDRPHWPVSIPC-NSHDSACASA-N -1 3 349.456 2.548 10 10 EFCEHM CC(C)OC(=O)c1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC000586738046 1316550110 /nfs/dbraw/zinc/55/01/10/1316550110.db2.gz UFKBHAVLEYRVGZ-UHFFFAOYSA-N -1 3 331.324 2.621 10 10 EFCEHM O=C(Cc1cc(C(F)(F)F)ccn1)NCc1c([O-])cccc1F ZINC001303876411 1324624304 /nfs/dbraw/zinc/62/43/04/1324624304.db2.gz ZYTKPDZYSAPIGR-UHFFFAOYSA-N -1 3 328.265 2.804 10 10 EFCEHM COC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])C1CCCCCC1 ZINC001303946086 1324627471 /nfs/dbraw/zinc/62/74/71/1324627471.db2.gz RIFRUNXCMZTZGQ-CQSZACIVSA-N -1 3 335.400 2.587 10 10 EFCEHM CN(C)c1ccc(/C=C\CN2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc1 ZINC000901967479 1324763000 /nfs/dbraw/zinc/76/30/00/1324763000.db2.gz XOOFLOCZIUJMBJ-CGXNLCPXSA-N -1 3 342.361 2.961 10 10 EFCEHM Cc1cc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)ccc1N(C)C ZINC001308022496 1324790036 /nfs/dbraw/zinc/79/00/36/1324790036.db2.gz NIFRHRPJSJEFHE-INIZCTEOSA-N -1 3 343.393 2.704 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCCC[C@@H]1O ZINC001459689744 1395976406 /nfs/dbraw/zinc/97/64/06/1395976406.db2.gz XXSCMZBTPJLNKM-DOMZBBRYSA-N -1 3 341.835 2.572 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCC[C@H]1O ZINC001459689747 1395976453 /nfs/dbraw/zinc/97/64/53/1395976453.db2.gz XXSCMZBTPJLNKM-SWLSCSKDSA-N -1 3 341.835 2.572 10 10 EFCEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001471195854 1397149811 /nfs/dbraw/zinc/14/98/11/1397149811.db2.gz NVYWUMWZTBMTLB-LLVKDONJSA-N -1 3 326.352 2.713 10 10 EFCEHM COc1ccc2[nH]cc(CC(=O)NCc3c([O-])cccc3F)c2c1 ZINC001558454715 1415180463 /nfs/dbraw/zinc/18/04/63/1415180463.db2.gz KVUMOLSAEDLOOW-UHFFFAOYSA-N -1 3 328.343 2.880 10 10 EFCEHM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1-c1ccncc1 ZINC001558757044 1415199759 /nfs/dbraw/zinc/19/97/59/1415199759.db2.gz MPZBVVBVHPXPDZ-UHFFFAOYSA-N -1 3 342.786 2.865 10 10 EFCEHM CS(C)(=O)=Nc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001646035285 1416604699 /nfs/dbraw/zinc/60/46/99/1416604699.db2.gz VOVWKCQCDXLZSE-UHFFFAOYSA-N -1 3 336.388 2.820 10 10 EFCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1nc2ccccc2[nH]1 ZINC001683303185 1416680032 /nfs/dbraw/zinc/68/00/32/1416680032.db2.gz BSEPYNUDMMNORG-JTQLQIEISA-N -1 3 328.347 2.968 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)c([O-])c1O ZINC000179425571 717463624 /nfs/dbraw/zinc/46/36/24/717463624.db2.gz DCXPFVNPMMRLSM-UHFFFAOYSA-N -1 3 328.368 2.797 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1csc(N2CCCCC2)n1 ZINC000928706792 724583005 /nfs/dbraw/zinc/58/30/05/724583005.db2.gz VDZFEVVKHJVMMO-UHFFFAOYSA-N -1 3 335.404 2.908 10 10 EFCEHM COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)c(C)cc1[O-] ZINC000895867310 724361951 /nfs/dbraw/zinc/36/19/51/724361951.db2.gz VTHSCNRUPYNRSA-OCCSQVGLSA-N -1 3 327.808 2.554 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1COc2ccccc2C1 ZINC000913938546 725961689 /nfs/dbraw/zinc/96/16/89/725961689.db2.gz BOHSVUPRLUCZOG-GFCCVEGCSA-N -1 3 330.359 2.582 10 10 EFCEHM COCCOc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC000914111579 726048811 /nfs/dbraw/zinc/04/88/11/726048811.db2.gz KTBXAYOVCSYSDI-UHFFFAOYSA-N -1 3 348.374 2.556 10 10 EFCEHM COc1cccc([O-])c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001595436241 1094468281 /nfs/dbraw/zinc/46/82/81/1094468281.db2.gz ULUXAWABKKAYQC-UHFFFAOYSA-N -1 3 326.396 2.931 10 10 EFCEHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1c(F)cccc1Cl ZINC001622547273 1099524488 /nfs/dbraw/zinc/52/44/88/1099524488.db2.gz WNLKLVMVUZTJLX-RMLUDKJBSA-N -1 3 339.750 2.742 10 10 EFCEHM O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cccc(O)c1[O-] ZINC001625241446 1099786095 /nfs/dbraw/zinc/78/60/95/1099786095.db2.gz ZWRQWQVJENMDGO-UHFFFAOYSA-N -1 3 330.315 2.616 10 10 EFCEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001632255244 1100462600 /nfs/dbraw/zinc/46/26/00/1100462600.db2.gz NVYWUMWZTBMTLB-NSHDSACASA-N -1 3 326.352 2.713 10 10 EFCEHM Cc1cccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC001632532888 1100480849 /nfs/dbraw/zinc/48/08/49/1100480849.db2.gz SMWXIIJPDGMKQL-LBPRGKRZSA-N -1 3 348.424 2.563 10 10 EFCEHM COc1cccc(-c2cc(C(=O)NCc3c([O-])cccc3F)[nH]n2)c1 ZINC001635360440 1100656636 /nfs/dbraw/zinc/65/66/36/1100656636.db2.gz MDXYSJRKWWYZFH-UHFFFAOYSA-N -1 3 341.342 2.860 10 10 EFCEHM CCOC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])C1CCCCCC1 ZINC001639489355 1100954886 /nfs/dbraw/zinc/95/48/86/1100954886.db2.gz GYUWRZFPECCHFG-OAHLLOKOSA-N -1 3 335.400 2.730 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC001652295290 1101470693 /nfs/dbraw/zinc/47/06/93/1101470693.db2.gz GNMDGIZDJLBLAO-UHFFFAOYSA-N -1 3 328.343 2.810 10 10 EFCEHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)CN1CCO ZINC000841890745 1105843128 /nfs/dbraw/zinc/84/31/28/1105843128.db2.gz FHJKAILVKYIYJR-MNOVXSKESA-N -1 3 333.259 2.586 10 10 EFCEHM NC(=O)[C@@H]1Cc2ccccc2CN1Cc1c([O-])ccc2ccccc21 ZINC000035421639 213026137 /nfs/dbraw/zinc/02/61/37/213026137.db2.gz OQFDWBRCNROOGY-IBGZPJMESA-N -1 3 332.403 2.958 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000246490627 240268962 /nfs/dbraw/zinc/26/89/62/240268962.db2.gz PEEQKGBBFFHMMT-YPMHNXCESA-N -1 3 344.820 2.660 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCC[C@H](CS(C)(=O)=O)C2)c1[O-] ZINC000293998907 241032480 /nfs/dbraw/zinc/03/24/80/241032480.db2.gz SPRBNBQNDXSABX-LBPRGKRZSA-N -1 3 331.865 2.611 10 10 EFCEHM COc1c([O-])c(CNc2cccc(-c3nc[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000365799885 242333914 /nfs/dbraw/zinc/33/39/14/242333914.db2.gz YBYSQFCHCRPWSA-UHFFFAOYSA-N -1 3 341.327 2.706 10 10 EFCEHM O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cccc(O)c1[O-] ZINC000366569754 242356372 /nfs/dbraw/zinc/35/63/72/242356372.db2.gz JAKRCKVBXIVCSM-JKSUJKDBSA-N -1 3 335.363 2.569 10 10 EFCEHM O=C1C[C@H]([C@@H]2CCCCN2Cc2c([O-])ccc(Cl)c2F)CN1 ZINC000364470685 242298660 /nfs/dbraw/zinc/29/86/60/242298660.db2.gz DDENKKYMFLAKKZ-GWCFXTLKSA-N -1 3 326.799 2.675 10 10 EFCEHM CCSC1=NSC2=NC(=O)/C(=C\c3ccc([O-])cc3)C(=N)N12 ZINC000020114689 212102839 /nfs/dbraw/zinc/10/28/39/212102839.db2.gz OFWMFCUELMYGHK-DDADGOEASA-N -1 3 332.410 2.722 10 10 EFCEHM Cc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)c([O-])c1O ZINC000190410408 473264645 /nfs/dbraw/zinc/26/46/45/473264645.db2.gz XXJNZJUDEDHPDC-UHFFFAOYSA-N -1 3 333.413 2.579 10 10 EFCEHM CCn1cc([C@@H]2CN(Cc3cc(F)cc(C(C)=O)c3[O-])CCO2)cn1 ZINC000190750379 473382481 /nfs/dbraw/zinc/38/24/81/473382481.db2.gz KMFQLGSAOYWUAF-KRWDZBQOSA-N -1 3 347.390 2.524 10 10 EFCEHM CCN(CC)c1ccc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc1 ZINC000000201260 471333187 /nfs/dbraw/zinc/33/31/87/471333187.db2.gz YHPWNGYUOKNVGC-OAHLLOKOSA-N -1 3 334.445 2.534 10 10 EFCEHM CN(C)c1ccc(CN2Cc3cc(F)ccc3C[C@H]2C(=O)[O-])cc1 ZINC000008698982 471698684 /nfs/dbraw/zinc/69/86/84/471698684.db2.gz AVDXGLUNHOSIPR-SFHVURJKSA-N -1 3 328.387 2.903 10 10 EFCEHM COC(=O)c1cc2ccccc2c(CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000014185873 471858614 /nfs/dbraw/zinc/85/86/14/471858614.db2.gz BVFMMYDWYOTABL-BETUJISGSA-N -1 3 329.396 2.941 10 10 EFCEHM O=C(CC1CCN(Cc2cc([N+](=O)[O-])ccc2[O-])CC1)N1CCCC1 ZINC000069615876 472381411 /nfs/dbraw/zinc/38/14/11/472381411.db2.gz BXZMVMDNFQIDCH-UHFFFAOYSA-N -1 3 347.415 2.525 10 10 EFCEHM C[C@H](N[C@@H]1CCCn2ncnc21)c1cc(Br)ccc1[O-] ZINC000185662409 473482389 /nfs/dbraw/zinc/48/23/89/473482389.db2.gz FHBYUOXAIAHJIN-JOYOIKCWSA-N -1 3 337.221 2.932 10 10 EFCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(C)(C)OC ZINC000178720603 473547370 /nfs/dbraw/zinc/54/73/70/473547370.db2.gz LVUNASKRERGCCI-UHFFFAOYSA-N -1 3 330.222 2.928 10 10 EFCEHM O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000186812577 473760750 /nfs/dbraw/zinc/76/07/50/473760750.db2.gz LQLWCCOMAVHYTF-ZDUSSCGKSA-N -1 3 340.379 2.589 10 10 EFCEHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000187043624 473807161 /nfs/dbraw/zinc/80/71/61/473807161.db2.gz BBWIQUSZWJYTKX-AWEZNQCLSA-N -1 3 327.380 2.954 10 10 EFCEHM COc1cccc(N2CCC[C@@H](NC(=O)c3cccc(O)c3[O-])C2)c1 ZINC000187103756 473818383 /nfs/dbraw/zinc/81/83/83/473818383.db2.gz PPOPWHGTCTZVKW-CYBMUJFWSA-N -1 3 342.395 2.505 10 10 EFCEHM CC[C@H]1CN(Cc2cc(Cl)cc(C)c2[O-])C[C@@H](C)S1(=O)=O ZINC000289675879 474374172 /nfs/dbraw/zinc/37/41/72/474374172.db2.gz DQTARYAARGDFLI-RISCZKNCSA-N -1 3 331.865 2.752 10 10 EFCEHM COC(=O)[C@@H](CC(F)(F)F)NCc1cc(Cl)cc(C)c1[O-] ZINC000276387835 474522308 /nfs/dbraw/zinc/52/23/08/474522308.db2.gz BORMWQAPZZJLIP-SNVBAGLBSA-N -1 3 325.714 2.938 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCn3c(nnc3C(F)(F)F)C2)c1[O-] ZINC000271896605 474598239 /nfs/dbraw/zinc/59/82/39/474598239.db2.gz YGILQEXKOZRSIK-UHFFFAOYSA-N -1 3 346.740 2.980 10 10 EFCEHM COc1c([O-])c(CN(C)Cc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000278173487 474601989 /nfs/dbraw/zinc/60/19/89/474601989.db2.gz FYYVQRUPNCFIBZ-UHFFFAOYSA-N -1 3 337.763 2.989 10 10 EFCEHM CCNC(=O)C[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000284691269 474726190 /nfs/dbraw/zinc/72/61/90/474726190.db2.gz HXUSISWAAAGZAC-OAHLLOKOSA-N -1 3 336.407 2.615 10 10 EFCEHM CCN1CC[C@H]2OCCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC000293532776 475026213 /nfs/dbraw/zinc/02/62/13/475026213.db2.gz BYWHRKAQQDREFG-LSDHHAIUSA-N -1 3 345.270 2.994 10 10 EFCEHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1O ZINC000280553268 475033432 /nfs/dbraw/zinc/03/34/32/475033432.db2.gz JIXONMPVTJPIRT-UHFFFAOYSA-N -1 3 349.408 2.915 10 10 EFCEHM O=C([C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1)N1CCCC1 ZINC000293901349 475058611 /nfs/dbraw/zinc/05/86/11/475058611.db2.gz LAWKIMNKVYQEFF-NSHDSACASA-N -1 3 326.799 2.629 10 10 EFCEHM C[C@@H]1OCC[C@@]12CN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H](C)O2 ZINC000294518053 475070717 /nfs/dbraw/zinc/07/07/17/475070717.db2.gz CHZPTTYKXHLHRM-OHUAYANFSA-N -1 3 329.799 2.953 10 10 EFCEHM CC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000294610910 475074653 /nfs/dbraw/zinc/07/46/53/475074653.db2.gz IOJZPSMZCFWNMV-MRXNPFEDSA-N -1 3 329.799 2.955 10 10 EFCEHM CCCNC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294836985 475085532 /nfs/dbraw/zinc/08/55/32/475085532.db2.gz HQCZYWGALGWKHD-UHFFFAOYSA-N -1 3 328.815 2.923 10 10 EFCEHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cccc(Cl)c1[O-] ZINC000373580229 476415657 /nfs/dbraw/zinc/41/56/57/476415657.db2.gz BVAVBGCADCMKDM-CHWSQXEVSA-N -1 3 327.808 2.588 10 10 EFCEHM Cn1cc(-c2cc(F)ccc2NC(=O)c2cccc(O)c2[O-])cn1 ZINC000373623167 476418186 /nfs/dbraw/zinc/41/81/86/476418186.db2.gz LPEOHWPJDDGMNC-UHFFFAOYSA-N -1 3 327.315 2.890 10 10 EFCEHM CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C)c(O)c1[O-])CC2 ZINC000370360358 476774174 /nfs/dbraw/zinc/77/41/74/476774174.db2.gz SVWXVOYJFVFNGA-UHFFFAOYSA-N -1 3 339.391 2.850 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000367440005 477511143 /nfs/dbraw/zinc/51/11/43/477511143.db2.gz YXWKDIXNYTXYIG-HNNXBMFYSA-N -1 3 326.780 2.956 10 10 EFCEHM Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c([O-])c1O ZINC000368086307 477783945 /nfs/dbraw/zinc/78/39/45/477783945.db2.gz PCFUHTDWWWOJIL-JKSUJKDBSA-N -1 3 344.386 2.721 10 10 EFCEHM CC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000366172073 534881528 /nfs/dbraw/zinc/88/15/28/534881528.db2.gz PBODAYQJCUOUEH-UHFFFAOYSA-N -1 3 325.364 2.541 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2c3ccccc3C[C@H]2C(N)=O)c1[O-] ZINC000177270359 527208853 /nfs/dbraw/zinc/20/88/53/527208853.db2.gz GBGYHRHHTVROES-INIZCTEOSA-N -1 3 344.798 2.665 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC(c3ccnn3C)CC2)c1[O-] ZINC000175619518 527209108 /nfs/dbraw/zinc/20/91/08/527209108.db2.gz JQRWVMMZOTVAJT-UHFFFAOYSA-N -1 3 331.391 2.847 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3nccs3)C2)c1[O-] ZINC000175625357 527211153 /nfs/dbraw/zinc/21/11/53/527211153.db2.gz QIRMPRPHPCCOMQ-AWEZNQCLSA-N -1 3 336.388 2.764 10 10 EFCEHM C[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cc(F)ccc1[O-] ZINC000756866674 575794622 /nfs/dbraw/zinc/79/46/22/575794622.db2.gz AJAYQDOIPHFWSW-GFCCVEGCSA-N -1 3 346.406 2.960 10 10 EFCEHM CCOC(=O)[C@@H](CC1CC1)NCc1cc(Cl)cc(OC)c1[O-] ZINC000761215833 576130713 /nfs/dbraw/zinc/13/07/13/576130713.db2.gz MOZMZVKLIMHLIL-CYBMUJFWSA-N -1 3 327.808 2.876 10 10 EFCEHM Cc1cc(Br)c([O-])c(CNc2nccc(N(C)C)n2)c1 ZINC000766109195 577109253 /nfs/dbraw/zinc/10/92/53/577109253.db2.gz UDESLLRLNVCJHN-UHFFFAOYSA-N -1 3 337.221 2.931 10 10 EFCEHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H](c2ccccc2)O1 ZINC000768442220 577273669 /nfs/dbraw/zinc/27/36/69/577273669.db2.gz KTEKGKRJQRKOIA-MJWYBRSISA-N -1 3 341.407 2.780 10 10 EFCEHM [O-]c1cccc(Cl)c1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000768857418 577310698 /nfs/dbraw/zinc/31/06/98/577310698.db2.gz OMFIMBZKWNAROZ-UHFFFAOYSA-N -1 3 332.835 2.963 10 10 EFCEHM COc1cccc([C@@H]2CN(Cc3c([O-])cccc3OC)CCO2)c1 ZINC000769332347 577352840 /nfs/dbraw/zinc/35/28/40/577352840.db2.gz MNBSSEYTDBPKSU-IBGZPJMESA-N -1 3 329.396 2.983 10 10 EFCEHM CN(Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000769468432 577364810 /nfs/dbraw/zinc/36/48/10/577364810.db2.gz HWAJFRSFEDGWDC-HNNXBMFYSA-N -1 3 345.464 2.926 10 10 EFCEHM COc1cccc([O-])c1CN(C)Cc1cn(C)nc1C(F)(F)F ZINC000770386935 577414555 /nfs/dbraw/zinc/41/45/55/577414555.db2.gz NGSNCMXRKWVXJB-UHFFFAOYSA-N -1 3 329.322 2.785 10 10 EFCEHM COc1nnc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[n-]1 ZINC000770542971 581108123 /nfs/dbraw/zinc/10/81/23/581108123.db2.gz JUATVPVQXMAGCG-UHFFFAOYSA-N -1 3 325.372 2.782 10 10 EFCEHM COc1nc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n[n-]1 ZINC000770542971 581108126 /nfs/dbraw/zinc/10/81/26/581108126.db2.gz JUATVPVQXMAGCG-UHFFFAOYSA-N -1 3 325.372 2.782 10 10 EFCEHM COc1n[n-]c(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000770542971 581108128 /nfs/dbraw/zinc/10/81/28/581108128.db2.gz JUATVPVQXMAGCG-UHFFFAOYSA-N -1 3 325.372 2.782 10 10 EFCEHM COc1c([O-])c([C@H]2NC(=O)c3ccc(Cl)cc3N2)ccc1[N+](=O)[O-] ZINC000772179534 581293074 /nfs/dbraw/zinc/29/30/74/581293074.db2.gz UPOUMZOOZLOMOC-CQSZACIVSA-N -1 3 349.730 2.817 10 10 EFCEHM CN1Cc2ccccc2[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921663940 1259567439 /nfs/dbraw/zinc/56/74/39/1259567439.db2.gz YWNWZKCAQVTBLC-MRXNPFEDSA-N -1 3 329.375 2.517 10 10 EFCEHM COc1ccc([C@H](NC(=O)NCc2c([O-])cccc2F)C2CC2)cn1 ZINC000923500732 1261797393 /nfs/dbraw/zinc/79/73/93/1261797393.db2.gz OMMOYQGLPHJQRW-QGZVFWFLSA-N -1 3 345.374 2.885 10 10 EFCEHM COCC[C@H](Cc1ccco1)NC(=O)NCc1c([O-])cccc1F ZINC000921910143 1263332675 /nfs/dbraw/zinc/33/26/75/1263332675.db2.gz GIINDUQMQZYBPJ-GFCCVEGCSA-N -1 3 336.363 2.571 10 10 EFCEHM COc1ccc2c(c1)CC[C@@H](NC(=O)NCc1c([O-])cccc1F)C2 ZINC000921913599 1263375540 /nfs/dbraw/zinc/37/55/40/1263375540.db2.gz OPCOAMBVZZHREE-CQSZACIVSA-N -1 3 344.386 2.897 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124755 1278418870 /nfs/dbraw/zinc/41/88/70/1278418870.db2.gz XJYJZLMNMPKLLG-JVXZTZIISA-N -1 3 327.705 2.930 10 10 EFCEHM CCN(CC)c1ccc(CNC(=O)NCc2ncccc2[O-])cc1F ZINC000792079736 1278522583 /nfs/dbraw/zinc/52/25/83/1278522583.db2.gz UKVZSFDKJMUPKL-UHFFFAOYSA-N -1 3 346.406 2.772 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000843978926 1278704289 /nfs/dbraw/zinc/70/42/89/1278704289.db2.gz ZMUSFWJWNHDGIR-KRWDZBQOSA-N -1 3 341.407 2.901 10 10 EFCEHM C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C(=O)OC(C)(C)C ZINC000819680690 1276874805 /nfs/dbraw/zinc/87/48/05/1276874805.db2.gz GILHWJUVYNPZPG-FZMZJTMJSA-N -1 3 335.400 2.680 10 10 EFCEHM O=C([O-])[C@@]1(NCc2ccc3c(c2)CCO3)CCc2c1cccc2F ZINC000789902137 1277088598 /nfs/dbraw/zinc/08/85/98/1277088598.db2.gz KYDRJYWTOLRENB-LJQANCHMSA-N -1 3 327.355 2.777 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000923274883 1277451125 /nfs/dbraw/zinc/45/11/25/1277451125.db2.gz VBANAMFXMXUBCE-GJZGRUSLSA-N -1 3 344.386 2.903 10 10 EFCEHM COC(=O)C(C)(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790890213 1277832525 /nfs/dbraw/zinc/83/25/25/1277832525.db2.gz HWNWPKVAHFOOBF-MRXNPFEDSA-N -1 3 343.379 2.768 10 10 EFCEHM CC(C)N(Cc1cccs1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846235817 1280079763 /nfs/dbraw/zinc/07/97/63/1280079763.db2.gz CTCMCWLQOPVPRM-UHFFFAOYSA-N -1 3 346.412 2.605 10 10 EFCEHM COc1ccc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)nc1 ZINC000846296495 1280105458 /nfs/dbraw/zinc/10/54/58/1280105458.db2.gz GTKINPZMJGNAAK-UHFFFAOYSA-N -1 3 328.368 2.521 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCCCN(C)C2=O)c1[O-] ZINC000872264129 1287508298 /nfs/dbraw/zinc/50/82/98/1287508298.db2.gz ZGNMIDWFXNEHHF-OAHLLOKOSA-N -1 3 338.835 2.691 10 10 EFCEHM COC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])cc2[nH]ccc21 ZINC000813864567 1286149210 /nfs/dbraw/zinc/14/92/10/1286149210.db2.gz XYLADSRAVBYOGN-UHFFFAOYSA-N -1 3 326.308 2.618 10 10 EFCEHM CC(C)(NC(=O)c1cccc(O)c1[O-])c1cc(C(F)(F)F)on1 ZINC000817041336 1288388651 /nfs/dbraw/zinc/38/86/51/1288388651.db2.gz XNZVAPBDAVVDMH-UHFFFAOYSA-N -1 3 330.262 2.770 10 10 EFCEHM O=C(CCc1nc(-c2ccsc2)no1)NCc1c([O-])cccc1F ZINC001178410280 1288778407 /nfs/dbraw/zinc/77/84/07/1288778407.db2.gz PCEDNSYXHGVJJC-UHFFFAOYSA-N -1 3 347.371 2.892 10 10 EFCEHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2c(O)cccc2F)cc1 ZINC001178413055 1288780725 /nfs/dbraw/zinc/78/07/25/1288780725.db2.gz MAIFYKFIRFQENG-UHFFFAOYSA-N -1 3 339.269 2.632 10 10 EFCEHM O=Cc1ccc(OC(F)(F)C(=O)NCc2c([O-])cccc2F)cc1 ZINC001178413055 1288780731 /nfs/dbraw/zinc/78/07/31/1288780731.db2.gz MAIFYKFIRFQENG-UHFFFAOYSA-N -1 3 339.269 2.632 10 10 EFCEHM Cc1cc([O-])c(CN2CCN(CC(F)(F)F)C(=O)C2)cc1Cl ZINC000825892747 1290968481 /nfs/dbraw/zinc/96/84/81/1290968481.db2.gz INXRLIMYORQBIM-UHFFFAOYSA-N -1 3 336.741 2.561 10 10 EFCEHM COc1cnccc1[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775096421 1291116764 /nfs/dbraw/zinc/11/67/64/1291116764.db2.gz BGKSLZUHDOOVFR-SNVBAGLBSA-N -1 3 333.344 2.563 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611449 1291179413 /nfs/dbraw/zinc/17/94/13/1291179413.db2.gz AWQPXLSBRJVQAC-NSHDSACASA-N -1 3 340.139 2.654 10 10 EFCEHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1Cl ZINC000826099928 1292006489 /nfs/dbraw/zinc/00/64/89/1292006489.db2.gz JZSWJCYOSNWCHA-UKRRQHHQSA-N -1 3 329.849 2.506 10 10 EFCEHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000826099924 1292007367 /nfs/dbraw/zinc/00/73/67/1292007367.db2.gz JZSWJCYOSNWCHA-DZGCQCFKSA-N -1 3 329.849 2.506 10 10 EFCEHM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709659 1297125677 /nfs/dbraw/zinc/12/56/77/1297125677.db2.gz KMNFFQSYWGPZAS-CYBMUJFWSA-N -1 3 338.379 2.547 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cccnc1N1CCCCC1 ZINC000928710354 1297126101 /nfs/dbraw/zinc/12/61/01/1297126101.db2.gz BZQGQMLBBYGLIX-UHFFFAOYSA-N -1 3 329.375 2.847 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC(CO)(C(F)(F)F)CC2)c1[O-] ZINC000932824102 1297459443 /nfs/dbraw/zinc/45/94/43/1297459443.db2.gz HMXOAIXKXLEIMG-UHFFFAOYSA-N -1 3 349.324 2.871 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](C)[C@H]2C(F)(F)F)c1[O-] ZINC000852749856 1299856911 /nfs/dbraw/zinc/85/69/11/1299856911.db2.gz HURAZWLXXMZYLO-XPTSAGLGSA-N -1 3 335.297 2.886 10 10 EFCEHM COc1cc(Br)cc(C[NH2+]CC2(C(=O)[O-])CCC2)c1[O-] ZINC000854244896 1300484769 /nfs/dbraw/zinc/48/47/69/1300484769.db2.gz XCFWBQMOLHPUSV-UHFFFAOYSA-N -1 3 344.205 2.508 10 10 EFCEHM COC(=O)[C@H](Cc1cccc(OC)c1)NCc1cc(Cl)ccc1[O-] ZINC000862474497 1302392608 /nfs/dbraw/zinc/39/26/08/1302392608.db2.gz MNEDMEJEJIBLQB-INIZCTEOSA-N -1 3 349.814 2.928 10 10 EFCEHM CCN(C)c1ccc([C@@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000866629086 1303719629 /nfs/dbraw/zinc/71/96/29/1303719629.db2.gz VWTIMSHBTNVKLE-CYBMUJFWSA-N -1 3 342.443 2.562 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)Nc1cccnc1N1CCCC1 ZINC000902943753 1312228422 /nfs/dbraw/zinc/22/84/22/1312228422.db2.gz BBTGRKIWUJQMHU-UHFFFAOYSA-N -1 3 330.363 2.848 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ncccc1OCC(F)(F)F ZINC001303878692 1316342951 /nfs/dbraw/zinc/34/29/51/1316342951.db2.gz QWLMGOPTQGOPRW-UHFFFAOYSA-N -1 3 344.264 2.797 10 10 EFCEHM O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1c([O-])cccc1F ZINC001307214532 1324751727 /nfs/dbraw/zinc/75/17/27/1324751727.db2.gz IWXRFQVBODKXOH-UHFFFAOYSA-N -1 3 345.330 2.944 10 10 EFCEHM CN(C)c1ccc(/C=C/CN2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc1 ZINC000901967480 1324763279 /nfs/dbraw/zinc/76/32/79/1324763279.db2.gz XOOFLOCZIUJMBJ-WCYDHSITSA-N -1 3 342.361 2.961 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCCN1Cc1cccnc1 ZINC001351000709 1333165513 /nfs/dbraw/zinc/16/55/13/1333165513.db2.gz ZLOCGGKUHKOSTI-QGZVFWFLSA-N -1 3 343.402 2.597 10 10 EFCEHM CC(C)N(C)C(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001300028733 1333547084 /nfs/dbraw/zinc/54/70/84/1333547084.db2.gz IUFTZTFKFLAEQE-UHFFFAOYSA-N -1 3 328.368 2.831 10 10 EFCEHM CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NCc1cc(F)ccc1[O-] ZINC000848928545 1334993176 /nfs/dbraw/zinc/99/31/76/1334993176.db2.gz GWUMLFYZXQWZHZ-MRXNPFEDSA-N -1 3 346.402 2.969 10 10 EFCEHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[n-]c2ccccc2c1=O ZINC001456879695 1394849381 /nfs/dbraw/zinc/84/93/81/1394849381.db2.gz HLFWZNZCFXFZPX-UHFFFAOYSA-N -1 3 349.390 2.633 10 10 EFCEHM CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2c([O-])cccc2F)s1 ZINC001458626525 1395526263 /nfs/dbraw/zinc/52/62/63/1395526263.db2.gz XMLZSZHJUUVRAV-UHFFFAOYSA-N -1 3 346.361 2.517 10 10 EFCEHM O=C(NCc1cccc(O)c1O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001471642269 1397191007 /nfs/dbraw/zinc/19/10/07/1397191007.db2.gz QGMVRTYZIZUKQX-UHFFFAOYSA-N -1 3 344.754 2.523 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001471975402 1397230010 /nfs/dbraw/zinc/23/00/10/1397230010.db2.gz YLXUFGBLWUYZHH-UHFFFAOYSA-N -1 3 345.330 2.944 10 10 EFCEHM O=C([N-]Cc1c(O)cccc1O)C(F)(F)c1cc(F)cc(F)c1 ZINC001472063443 1397242170 /nfs/dbraw/zinc/24/21/70/1397242170.db2.gz KWCVZWOSMUWFTD-UHFFFAOYSA-N -1 3 329.249 2.784 10 10 EFCEHM O=C(NCc1c(Cl)cccc1-n1ccnc1)c1cccc(O)c1[O-] ZINC001556746684 1415086275 /nfs/dbraw/zinc/08/62/75/1415086275.db2.gz LHBMQSBFWCKVFA-UHFFFAOYSA-N -1 3 343.770 2.867 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cccnc1OCC(F)F ZINC001558454547 1415180483 /nfs/dbraw/zinc/18/04/83/1415180483.db2.gz IOGAGGHSHYPHRK-UHFFFAOYSA-N -1 3 326.274 2.500 10 10 EFCEHM Cn1c2ccccc2nc1C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC001567834963 1416293775 /nfs/dbraw/zinc/29/37/75/1416293775.db2.gz LQANBDASNJKLQW-UHFFFAOYSA-N -1 3 325.368 2.650 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccn(-c2ccc(F)cc2F)n1 ZINC001646033714 1416604130 /nfs/dbraw/zinc/60/41/30/1416604130.db2.gz BZFZCGFONWCYPK-UHFFFAOYSA-N -1 3 347.296 2.925 10 10 EFCEHM CC[C@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@@H](C)S1(=O)=O ZINC000840946821 717983375 /nfs/dbraw/zinc/98/33/75/717983375.db2.gz VRTAJLKLCFYQCU-NEPJUHHUSA-N -1 3 331.865 2.752 10 10 EFCEHM O=C([O-])/C=C/c1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000327353087 715969597 /nfs/dbraw/zinc/96/95/97/715969597.db2.gz MGSDHLBQNBFJAF-SOFGYWHQSA-N -1 3 345.399 2.757 10 10 EFCEHM COc1ccc2c(c1)CC[C@H](C(=O)NCc1c([O-])cccc1F)C2 ZINC000928710442 724587229 /nfs/dbraw/zinc/58/72/29/724587229.db2.gz LZZLNLRMGSHXSC-AWEZNQCLSA-N -1 3 329.371 2.961 10 10 EFCEHM [O-]c1c(F)cc(F)cc1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000893962899 720176837 /nfs/dbraw/zinc/17/68/37/720176837.db2.gz VWTQTTAQQUUXFK-UHFFFAOYSA-N -1 3 334.370 2.588 10 10 EFCEHM Cc1cc([O-])c(CN2CCN(C(=O)c3cccnc3)CC2)c(Cl)c1 ZINC000840907765 720787727 /nfs/dbraw/zinc/78/77/27/720787727.db2.gz IXONGYUYBQAFOV-UHFFFAOYSA-N -1 3 345.830 2.707 10 10 EFCEHM CCN(Cc1c([O-])cc(C)cc1Cl)[C@@H](C)CS(=O)(=O)CC ZINC000840915955 720939578 /nfs/dbraw/zinc/93/95/78/720939578.db2.gz UQVZDSWTWSYRGE-LBPRGKRZSA-N -1 3 333.881 2.999 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1OCCc2ccccc21 ZINC000918440084 728880356 /nfs/dbraw/zinc/88/03/56/728880356.db2.gz MTMGHFHLONRADV-KRWDZBQOSA-N -1 3 330.359 2.645 10 10 EFCEHM COC(=O)[C@@H](CC1CCOCC1)NCc1cc(Cl)c(C)cc1[O-] ZINC000895593441 724219123 /nfs/dbraw/zinc/21/91/23/724219123.db2.gz SJIFAJAAEFWJRP-OAHLLOKOSA-N -1 3 341.835 2.802 10 10 EFCEHM COC(=O)[C@H](CC1CCOCC1)NCc1cc(Cl)c(C)cc1[O-] ZINC000895593440 724219150 /nfs/dbraw/zinc/21/91/50/724219150.db2.gz SJIFAJAAEFWJRP-HNNXBMFYSA-N -1 3 341.835 2.802 10 10 EFCEHM CCOc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1OC ZINC000914037861 725989727 /nfs/dbraw/zinc/98/97/27/725989727.db2.gz AECUZQQJLYWRFH-UHFFFAOYSA-N -1 3 348.374 2.938 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000912180762 727670295 /nfs/dbraw/zinc/67/02/95/727670295.db2.gz QBXJDKJJYVJSAR-DLBZAZTESA-N -1 3 341.407 2.696 10 10 EFCEHM C[C@]1(CNC(=O)NCc2c([O-])cccc2F)OCCc2ccccc21 ZINC000924019423 728991428 /nfs/dbraw/zinc/99/14/28/728991428.db2.gz XFVTYBUOGSRWLX-LJQANCHMSA-N -1 3 344.386 2.819 10 10 EFCEHM CO[C@H](C)c1nc(CNC(=O)NCc2c([O-])cccc2F)cs1 ZINC000921373705 729300943 /nfs/dbraw/zinc/30/09/43/729300943.db2.gz QTQAEYNJAQYJMO-SECBINFHSA-N -1 3 339.392 2.695 10 10 EFCEHM O=S(=O)(NCc1c([O-])cccc1F)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000921450545 729460379 /nfs/dbraw/zinc/46/03/79/729460379.db2.gz AOPHZUNZLXEOEV-LRDDRELGSA-N -1 3 339.363 2.646 10 10 EFCEHM C[C@@]1(CS(=O)(=O)NCc2c([O-])cccc2F)CC1(Cl)Cl ZINC000921450579 729460447 /nfs/dbraw/zinc/46/04/47/729460447.db2.gz AYUPFXXOFKOUOL-NSHDSACASA-N -1 3 342.219 2.535 10 10 EFCEHM O=S(=O)(NCc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000921450546 729460458 /nfs/dbraw/zinc/46/04/58/729460458.db2.gz AOPHZUNZLXEOEV-MLGOLLRUSA-N -1 3 339.363 2.646 10 10 EFCEHM O=S(=O)(NCc1c([O-])cccc1F)[C@@H]1CCc2ccccc2C1 ZINC000921452490 729460767 /nfs/dbraw/zinc/46/07/67/729460767.db2.gz QPOCUCOQEAFNOT-CQSZACIVSA-N -1 3 335.400 2.508 10 10 EFCEHM O=S(=O)(C[C@@H]1CCCC(F)(F)C1)NCc1c([O-])cccc1F ZINC000921452374 729460897 /nfs/dbraw/zinc/46/08/97/729460897.db2.gz NEAVHFNNQBRJSY-SNVBAGLBSA-N -1 3 337.363 2.776 10 10 EFCEHM [O-]c1c(Br)cccc1CN1CCC[C@@H](n2cncn2)C1 ZINC000179467796 729544838 /nfs/dbraw/zinc/54/48/38/729544838.db2.gz GPCXEXVVEPGRRY-GFCCVEGCSA-N -1 3 337.221 2.583 10 10 EFCEHM C[Si](C)(C)c1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC001584842546 1092304807 /nfs/dbraw/zinc/30/48/07/1092304807.db2.gz HRKAJLDJLBJJTR-UHFFFAOYSA-N -1 3 329.472 2.616 10 10 EFCEHM CCN(C)C(=O)c1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001596912228 1094553260 /nfs/dbraw/zinc/55/32/60/1094553260.db2.gz NBBDNMINQICSOC-UHFFFAOYSA-N -1 3 330.359 2.553 10 10 EFCEHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1c([O-])cccc1F ZINC001596913421 1094553600 /nfs/dbraw/zinc/55/36/00/1094553600.db2.gz XUGOOGYMVYQLLZ-UHFFFAOYSA-N -1 3 338.722 2.952 10 10 EFCEHM CCN(CC)C(=O)CN(C)Cc1cc(C)cc(Br)c1[O-] ZINC000781901983 1099970484 /nfs/dbraw/zinc/97/04/84/1099970484.db2.gz XIOUSYPYHHQBMM-UHFFFAOYSA-N -1 3 343.265 2.763 10 10 EFCEHM CC(=O)Nc1cccc2c1CCCN2C(=O)c1cccc(O)c1[O-] ZINC001630737849 1100335121 /nfs/dbraw/zinc/33/51/21/1100335121.db2.gz CGLQPKWCVPENJT-UHFFFAOYSA-N -1 3 326.352 2.649 10 10 EFCEHM CCc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c([O-])c1 ZINC001632611760 1100488884 /nfs/dbraw/zinc/48/88/84/1100488884.db2.gz JRAUVCHVMFJDTQ-OAHLLOKOSA-N -1 3 340.423 2.972 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c([O-])c1O ZINC001637329519 1100773335 /nfs/dbraw/zinc/77/33/35/1100773335.db2.gz GPOLSKILYLVZTN-UHFFFAOYSA-N -1 3 338.367 2.762 10 10 EFCEHM Cn1cc(Oc2ccccc2C(=O)NCc2c([O-])cccc2F)cn1 ZINC001638863394 1100893012 /nfs/dbraw/zinc/89/30/12/1100893012.db2.gz NITIIDOHKQBPOH-UHFFFAOYSA-N -1 3 341.342 2.987 10 10 EFCEHM Cc1nnc(-c2cccc(C(=O)NCc3c([O-])cccc3F)c2)o1 ZINC001652295657 1101470926 /nfs/dbraw/zinc/47/09/26/1101470926.db2.gz OAJBKGTYNBOZGS-UHFFFAOYSA-N -1 3 327.315 2.820 10 10 EFCEHM Cc1ccc(C(=O)N2CCCc3c4ncn(C)c4ccc32)c([O-])c1O ZINC001648856298 1102522290 /nfs/dbraw/zinc/52/22/90/1102522290.db2.gz XILBEMWUCQJVOZ-UHFFFAOYSA-N -1 3 337.379 2.886 10 10 EFCEHM CCC1(CC)CN(Cc2cc(F)cc(C(C)=O)c2[O-])CC[S@]1=O ZINC000185283538 1119982297 /nfs/dbraw/zinc/98/22/97/1119982297.db2.gz COXJPNZMOBJIHZ-HSZRJFAPSA-N -1 3 341.448 2.857 10 10 EFCEHM CN(C)c1noc(C2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000191908570 240010460 /nfs/dbraw/zinc/01/04/60/240010460.db2.gz PUCSKZYOPQACIS-UHFFFAOYSA-N -1 3 336.823 2.874 10 10 EFCEHM COCc1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)no1 ZINC000297757592 241133234 /nfs/dbraw/zinc/13/32/34/241133234.db2.gz LKZIUEQNAJAIKS-INIZCTEOSA-N -1 3 332.400 2.708 10 10 EFCEHM COc1cc(Cl)cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1[O-] ZINC000184703674 277378954 /nfs/dbraw/zinc/37/89/54/277378954.db2.gz VTVQTOXKTFBPHZ-QLFBSQMISA-N -1 3 341.835 2.823 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CCC(n2cncn2)CC1 ZINC000092647528 472950306 /nfs/dbraw/zinc/95/03/06/472950306.db2.gz OGCBZKJPIHNIFC-UHFFFAOYSA-N -1 3 337.221 2.583 10 10 EFCEHM C[C@H](N[C@H]1CCCn2ncnc21)c1ccc(Br)cc1[O-] ZINC000185663389 473481970 /nfs/dbraw/zinc/48/19/70/473481970.db2.gz RQCNLWBZQJSMHB-CABZTGNLSA-N -1 3 337.221 2.932 10 10 EFCEHM COC([O-])=NC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000057623071 472455986 /nfs/dbraw/zinc/45/59/86/472455986.db2.gz RJCHVMOSMNAXAF-UHFFFAOYSA-N -1 3 328.368 2.584 10 10 EFCEHM COC(=O)[N-]C(=O)CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000057623071 472455994 /nfs/dbraw/zinc/45/59/94/472455994.db2.gz RJCHVMOSMNAXAF-UHFFFAOYSA-N -1 3 328.368 2.584 10 10 EFCEHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000134129389 472877142 /nfs/dbraw/zinc/87/71/42/472877142.db2.gz OOVOSTYUSYUAFH-CYBMUJFWSA-N -1 3 331.243 2.606 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000185762126 473507581 /nfs/dbraw/zinc/50/75/81/473507581.db2.gz PFRGIDNUPNKZSD-WMLDXEAASA-N -1 3 327.380 2.826 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000185762167 473507762 /nfs/dbraw/zinc/50/77/62/473507762.db2.gz PFRGIDNUPNKZSD-RHSMWYFYSA-N -1 3 327.380 2.826 10 10 EFCEHM CCc1nccn1[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179484517 473690458 /nfs/dbraw/zinc/69/04/58/473690458.db2.gz BEONTSKPNCGXPN-ZDUSSCGKSA-N -1 3 329.400 2.642 10 10 EFCEHM CCn1cc(CN2CCCN(Cc3cccc(Cl)c3[O-])CC2)cn1 ZINC000180112202 473801817 /nfs/dbraw/zinc/80/18/17/473801817.db2.gz BQVFNFMKNHNLTQ-UHFFFAOYSA-N -1 3 348.878 2.970 10 10 EFCEHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000274407840 473810252 /nfs/dbraw/zinc/81/02/52/473810252.db2.gz LQUCTAKVZHPLDI-LBPRGKRZSA-N -1 3 335.400 2.600 10 10 EFCEHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CC1CC1 ZINC000269801457 473885499 /nfs/dbraw/zinc/88/54/99/473885499.db2.gz LHBSBUXUSHGCKA-UHFFFAOYSA-N -1 3 348.262 2.716 10 10 EFCEHM C[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(F)cc1[O-] ZINC000274775991 473953449 /nfs/dbraw/zinc/95/34/49/473953449.db2.gz JEBWKDNEVYOACF-CYBMUJFWSA-N -1 3 331.391 2.614 10 10 EFCEHM Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c([O-])c1O ZINC000182972787 474298970 /nfs/dbraw/zinc/29/89/70/474298970.db2.gz OQWCZFGJEPHZAF-IAQYHMDHSA-N -1 3 349.333 2.633 10 10 EFCEHM Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c([O-])c1O ZINC000182972826 474299146 /nfs/dbraw/zinc/29/91/46/474299146.db2.gz OQWCZFGJEPHZAF-ABAIWWIYSA-N -1 3 349.333 2.633 10 10 EFCEHM COC(=O)[C@H](CC(F)(F)F)NCc1cc(Cl)cc(C)c1[O-] ZINC000276387834 474522564 /nfs/dbraw/zinc/52/25/64/474522564.db2.gz BORMWQAPZZJLIP-JTQLQIEISA-N -1 3 325.714 2.938 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCc3cc[nH]c(=O)c3C2)c1[O-] ZINC000277014386 474576260 /nfs/dbraw/zinc/57/62/60/474576260.db2.gz YSVIDZCYUKLCIK-UHFFFAOYSA-N -1 3 332.787 2.907 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCN(c3ccnc(C)n3)CC2)c1[O-] ZINC000184764052 474603002 /nfs/dbraw/zinc/60/30/02/474603002.db2.gz BSWXTFARTKXPHZ-UHFFFAOYSA-N -1 3 332.835 2.775 10 10 EFCEHM COc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc1OC ZINC000272769970 474625251 /nfs/dbraw/zinc/62/52/51/474625251.db2.gz MRHLDRGHNMEPHL-GFCCVEGCSA-N -1 3 345.395 2.784 10 10 EFCEHM Cc1ccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)c([O-])c1O ZINC000272765118 474625544 /nfs/dbraw/zinc/62/55/44/474625544.db2.gz RBUPBDXETPMKIG-LBPRGKRZSA-N -1 3 337.441 2.581 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C1(CCF)CC1 ZINC000291721774 474657385 /nfs/dbraw/zinc/65/73/85/474657385.db2.gz RBOPFTGWCGDKFZ-UHFFFAOYSA-N -1 3 343.782 2.687 10 10 EFCEHM CCNC(=O)C[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000284691265 474724952 /nfs/dbraw/zinc/72/49/52/474724952.db2.gz HXUSISWAAAGZAC-HNNXBMFYSA-N -1 3 336.407 2.615 10 10 EFCEHM COc1cc(Cl)cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000280406317 475023408 /nfs/dbraw/zinc/02/34/08/475023408.db2.gz YFKJRMOUIJFJTA-KRWDZBQOSA-N -1 3 341.835 2.824 10 10 EFCEHM O=C([C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1)N1CCCC1 ZINC000293901346 475058551 /nfs/dbraw/zinc/05/85/51/475058551.db2.gz LAWKIMNKVYQEFF-LLVKDONJSA-N -1 3 326.799 2.629 10 10 EFCEHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cccc(Cl)c1[O-] ZINC000373580233 476415504 /nfs/dbraw/zinc/41/55/04/476415504.db2.gz BVAVBGCADCMKDM-QWHCGFSZSA-N -1 3 327.808 2.588 10 10 EFCEHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)ccc1[O-] ZINC000373587214 476416499 /nfs/dbraw/zinc/41/64/99/476416499.db2.gz WFLMQHTULHOZPY-UONOGXRCSA-N -1 3 327.808 2.588 10 10 EFCEHM Cc1ccc(C(=O)NCc2noc(-c3cccc(F)c3)n2)c([O-])c1O ZINC000373596799 476417015 /nfs/dbraw/zinc/41/70/15/476417015.db2.gz VUJJXQQMVRMHGV-UHFFFAOYSA-N -1 3 343.314 2.525 10 10 EFCEHM Cc1ccc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c([O-])c1O ZINC000374727032 476505164 /nfs/dbraw/zinc/50/51/64/476505164.db2.gz QTJWLHJCTZRUFU-BLLLJJGKSA-N -1 3 327.380 2.870 10 10 EFCEHM Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000375262974 476745730 /nfs/dbraw/zinc/74/57/30/476745730.db2.gz YZEKZSMOGYFFIT-HNNXBMFYSA-N -1 3 335.835 2.969 10 10 EFCEHM Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000371676807 477438446 /nfs/dbraw/zinc/43/84/46/477438446.db2.gz PCXPSSUXEQCZKE-CYBMUJFWSA-N -1 3 331.372 2.855 10 10 EFCEHM CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@@]2(CCOC2)O1 ZINC000376673130 477454582 /nfs/dbraw/zinc/45/45/82/477454582.db2.gz PTKQJCWAWXDHBX-RHSMWYFYSA-N -1 3 341.835 2.824 10 10 EFCEHM Cc1cc(Cl)cc(CNC(c2nccn2C)c2nccn2C)c1[O-] ZINC000529645126 479234273 /nfs/dbraw/zinc/23/42/73/479234273.db2.gz PVMRKOFDIOOXON-UHFFFAOYSA-N -1 3 345.834 2.700 10 10 EFCEHM CN1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000253188922 536457930 /nfs/dbraw/zinc/45/79/30/536457930.db2.gz IGQWJCVHCYVTAM-GDBMZVCRSA-N -1 3 348.349 2.551 10 10 EFCEHM CCN(CC(=O)NC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000174426260 527902046 /nfs/dbraw/zinc/90/20/46/527902046.db2.gz RZYOCYJPECWUCV-UHFFFAOYSA-N -1 3 343.265 2.891 10 10 EFCEHM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 ZINC000756337619 575719840 /nfs/dbraw/zinc/71/98/40/575719840.db2.gz HZPBAAJJUUGFJV-SFHVURJKSA-N -1 3 344.386 2.578 10 10 EFCEHM C[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccc(F)cc1[O-] ZINC000756866247 575794576 /nfs/dbraw/zinc/79/45/76/575794576.db2.gz YFENYECWSVSAJT-LBPRGKRZSA-N -1 3 346.406 2.960 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCN(C(=O)N(C)C)CC2(C)C)c1[O-] ZINC000761226357 576132817 /nfs/dbraw/zinc/13/28/17/576132817.db2.gz PTIYEEZAYUUVBO-UHFFFAOYSA-N -1 3 339.867 2.932 10 10 EFCEHM COc1cccc([O-])c1CN1CCN(c2ccc(F)cc2OC)CC1 ZINC000769425991 577361759 /nfs/dbraw/zinc/36/17/59/577361759.db2.gz ATMZBLRZKPAKMQ-UHFFFAOYSA-N -1 3 346.402 2.871 10 10 EFCEHM CN(Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000769468435 577364725 /nfs/dbraw/zinc/36/47/25/577364725.db2.gz HWAJFRSFEDGWDC-OAHLLOKOSA-N -1 3 345.464 2.926 10 10 EFCEHM CCOc1ccc(CN2CC[S@](=O)C(CC)(CC)C2)c([O-])c1 ZINC000769554897 577372174 /nfs/dbraw/zinc/37/21/74/577372174.db2.gz BTWWDOYVUOBIOH-QFIPXVFZSA-N -1 3 325.474 2.914 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1 ZINC000726796776 577386890 /nfs/dbraw/zinc/38/68/90/577386890.db2.gz DNFUQPOSOAMBRE-QGZVFWFLSA-N -1 3 338.363 2.908 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN[C@H]2C[C@@H](C)n3ncnc32)c1 ZINC000850351868 1250445512 /nfs/dbraw/zinc/44/55/12/1250445512.db2.gz JHGDPDGCYPPSJH-SKDRFNHKSA-N -1 3 337.221 2.850 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN[C@H]2C[C@H](C)n3ncnc32)c1 ZINC000850351864 1250445614 /nfs/dbraw/zinc/44/56/14/1250445614.db2.gz JHGDPDGCYPPSJH-CABZTGNLSA-N -1 3 337.221 2.850 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000921526760 1257012476 /nfs/dbraw/zinc/01/24/76/1257012476.db2.gz JBQXPDWDWVKFCH-HBUWYVDXSA-N -1 3 326.371 2.916 10 10 EFCEHM Cn1ncc(C2CCC2)c1CNC(=O)NCc1c([O-])cccc1F ZINC000923316517 1261450834 /nfs/dbraw/zinc/45/08/34/1261450834.db2.gz VISUKODEQMFZQP-UHFFFAOYSA-N -1 3 332.379 2.532 10 10 EFCEHM COc1ccc2c(c1)CC[C@H](NC(=O)NCc1c([O-])cccc1F)C2 ZINC000921913598 1263374680 /nfs/dbraw/zinc/37/46/80/1263374680.db2.gz OPCOAMBVZZHREE-AWEZNQCLSA-N -1 3 344.386 2.897 10 10 EFCEHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000843936789 1278687203 /nfs/dbraw/zinc/68/72/03/1278687203.db2.gz UPGLQAXWLMBPQX-AAEUAGOBSA-N -1 3 335.400 2.538 10 10 EFCEHM O=C([O-])[C@]1(NCc2ccc3c(c2)CCO3)CCc2c1cccc2F ZINC000789902135 1277088840 /nfs/dbraw/zinc/08/88/40/1277088840.db2.gz KYDRJYWTOLRENB-IBGZPJMESA-N -1 3 327.355 2.777 10 10 EFCEHM COC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1cccc(OC)c1 ZINC000923248606 1277366014 /nfs/dbraw/zinc/36/60/14/1277366014.db2.gz XYACMFQSPYMZGF-MRXNPFEDSA-N -1 3 348.374 2.727 10 10 EFCEHM Cc1ccccc1[C@H](C)N(C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846237964 1280081429 /nfs/dbraw/zinc/08/14/29/1280081429.db2.gz JAQSRSBDAFNPKQ-LBPRGKRZSA-N -1 3 340.383 2.635 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCN(C)c3ncccc3C2)c1[O-] ZINC000872318712 1287539144 /nfs/dbraw/zinc/53/91/44/1287539144.db2.gz OXUFXELTIPMDRY-UHFFFAOYSA-N -1 3 329.375 2.581 10 10 EFCEHM COc1c([O-])c(CN2CCC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000811508186 1284385512 /nfs/dbraw/zinc/38/55/12/1284385512.db2.gz DXUQHEABKRWFOC-UHFFFAOYSA-N -1 3 343.339 2.658 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@@](C)(c2noc(C)n2)C2CC2)c1[O-] ZINC000814670992 1286912494 /nfs/dbraw/zinc/91/24/94/1286912494.db2.gz NOKODIJSFIYSLE-QGZVFWFLSA-N -1 3 333.363 2.840 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000816502456 1288173371 /nfs/dbraw/zinc/17/33/71/1288173371.db2.gz BLCQRVODNNMRJE-CQSZACIVSA-N -1 3 342.842 2.871 10 10 EFCEHM CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000816596881 1288219047 /nfs/dbraw/zinc/21/90/47/1288219047.db2.gz VLTFSTWJOYMOTD-MLGOLLRUSA-N -1 3 329.799 2.955 10 10 EFCEHM COc1c([O-])c(CNc2ccc(OCCO)c(C)c2)ccc1[N+](=O)[O-] ZINC000775056531 1291031449 /nfs/dbraw/zinc/03/14/49/1291031449.db2.gz ZFDXNIBHLIHWGR-UHFFFAOYSA-N -1 3 348.355 2.601 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1COc2cc(F)cc(F)c21 ZINC001234032300 1313040952 /nfs/dbraw/zinc/04/09/52/1313040952.db2.gz ASXWPRGYJWRLCU-LBPRGKRZSA-N -1 3 338.285 2.742 10 10 EFCEHM CCOC(=O)c1c(C)[nH]c(C(=O)NCc2c([O-])cccc2F)c1C ZINC000928708398 1297126704 /nfs/dbraw/zinc/12/67/04/1297126704.db2.gz GSKIOUMPEDNPOR-UHFFFAOYSA-N -1 3 334.347 2.583 10 10 EFCEHM COc1cc(C(=O)NCc2c([O-])cccc2F)cc2c1O[C@@H](C)C2 ZINC000928708193 1297126784 /nfs/dbraw/zinc/12/67/84/1297126784.db2.gz DPMMMWURGPZCRP-JTQLQIEISA-N -1 3 331.343 2.793 10 10 EFCEHM COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(Cl)c(C)cc1[O-] ZINC000862516863 1302403338 /nfs/dbraw/zinc/40/33/38/1302403338.db2.gz ZZXPMYMGJSDAPE-WFASDCNBSA-N -1 3 341.835 2.802 10 10 EFCEHM CN1CCn2nc(NCc3cc(Cl)cc(Cl)c3[O-])cc2C1 ZINC000865844268 1303425592 /nfs/dbraw/zinc/42/55/92/1303425592.db2.gz HHXVAMNXZIYIIK-UHFFFAOYSA-N -1 3 327.215 2.953 10 10 EFCEHM CCN(C)c1ccc([C@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000866629087 1303719775 /nfs/dbraw/zinc/71/97/75/1303719775.db2.gz VWTIMSHBTNVKLE-ZDUSSCGKSA-N -1 3 342.443 2.562 10 10 EFCEHM Cc1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1ccc(F)cc1 ZINC001164548289 1312537452 /nfs/dbraw/zinc/53/74/52/1312537452.db2.gz DXKJLMAKJZOEBL-UHFFFAOYSA-N -1 3 327.315 2.983 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](c2ncccn2)C2CC2)c1 ZINC000903327720 1312573574 /nfs/dbraw/zinc/57/35/74/1312573574.db2.gz XWESYVIXLWKTRV-MEDUHNTESA-N -1 3 327.384 2.771 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CSc2ccccc2O1 ZINC001252325906 1315435792 /nfs/dbraw/zinc/43/57/92/1315435792.db2.gz YBVAJZXQHLTHPQ-LLVKDONJSA-N -1 3 348.399 2.884 10 10 EFCEHM COc1cccc([C@H](NCc2ccc(N(C)C)c(F)c2)C(=O)[O-])c1 ZINC000901753250 1324755312 /nfs/dbraw/zinc/75/53/12/1324755312.db2.gz BSANAIQIGYJDGJ-KRWDZBQOSA-N -1 3 332.375 2.816 10 10 EFCEHM CN(C)c1ccc(CCNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001332763843 1331019195 /nfs/dbraw/zinc/01/91/95/1331019195.db2.gz KSBPZKOTVJHSIG-UHFFFAOYSA-N -1 3 331.391 2.639 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCCN1Cc1ccncc1 ZINC001333661728 1331189694 /nfs/dbraw/zinc/18/96/94/1331189694.db2.gz WQYCPSXNSMWRBU-QGZVFWFLSA-N -1 3 343.402 2.597 10 10 EFCEHM CN(C)c1ccc([C@H](CNC(=O)c2c([O-])cccc2F)N(C)C)cc1 ZINC001456938845 1394875644 /nfs/dbraw/zinc/87/56/44/1394875644.db2.gz ZMCFWDYVNLDLCY-INIZCTEOSA-N -1 3 345.418 2.630 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCOc2c(F)cccc21 ZINC001564579313 1415379531 /nfs/dbraw/zinc/37/95/31/1415379531.db2.gz NVFUWAVZCKNKQQ-AWEZNQCLSA-N -1 3 334.322 2.993 10 10 EFCEHM Cc1nc(C)n(Cc2cccc(NC(=O)c3cccc(O)c3[O-])c2)n1 ZINC001566197056 1415534645 /nfs/dbraw/zinc/53/46/45/1415534645.db2.gz BXCGMWXEEXPUBT-UHFFFAOYSA-N -1 3 338.367 2.607 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc2c(c1)NC(=O)CS2 ZINC001646029291 1416602844 /nfs/dbraw/zinc/60/28/44/1416602844.db2.gz VQCRRCCCZCEMDM-UHFFFAOYSA-N -1 3 332.356 2.506 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccccc1NC(=O)C1CC1 ZINC001646034915 1416604054 /nfs/dbraw/zinc/60/40/54/1416604054.db2.gz NZHAQNUDTDBNLS-UHFFFAOYSA-N -1 3 328.343 2.810 10 10 EFCEHM COc1ccc(C(=O)CCC(=O)NCc2c([O-])cccc2F)cc1F ZINC001646034977 1416604060 /nfs/dbraw/zinc/60/40/60/1416604060.db2.gz QGDUDFPVTKAHTO-UHFFFAOYSA-N -1 3 349.333 2.958 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2Cn2ccnc2)c1[O-] ZINC000188403111 714540026 /nfs/dbraw/zinc/54/00/26/714540026.db2.gz BWEWYICSCGISPS-ZDUSSCGKSA-N -1 3 336.779 2.815 10 10 EFCEHM Cc1cc([O-])c(CN2CCC[C@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000840950597 718558695 /nfs/dbraw/zinc/55/86/95/718558695.db2.gz OVQGXADHMNMUPX-LBPRGKRZSA-N -1 3 331.865 2.611 10 10 EFCEHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928709782 724586616 /nfs/dbraw/zinc/58/66/16/724586616.db2.gz LJYXWAPWFWZVND-AWEZNQCLSA-N -1 3 340.395 2.697 10 10 EFCEHM O=C(NCCOC(F)(F)C(F)(F)F)NCc1c([O-])cccc1F ZINC000923974548 722596407 /nfs/dbraw/zinc/59/64/07/722596407.db2.gz UYEFIEXCKYAINV-UHFFFAOYSA-N -1 3 346.227 2.502 10 10 EFCEHM COCc1ncc2c(n1)CCN(Cc1c([O-])cc(C)cc1Cl)C2 ZINC000895417284 724125137 /nfs/dbraw/zinc/12/51/37/724125137.db2.gz WHUOYDXMLSFACZ-UHFFFAOYSA-N -1 3 333.819 2.849 10 10 EFCEHM COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Cl)c(C)cc1[O-] ZINC000895867309 724361898 /nfs/dbraw/zinc/36/18/98/724361898.db2.gz VTHSCNRUPYNRSA-JSGCOSHPSA-N -1 3 327.808 2.554 10 10 EFCEHM C[C@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCS1(=O)=O ZINC000151584058 725783285 /nfs/dbraw/zinc/78/32/85/725783285.db2.gz SXUSRTDJMAGMRD-LBPRGKRZSA-N -1 3 349.452 2.636 10 10 EFCEHM O=C(NCCCOCCc1ccccc1)NCc1c([O-])cccc1F ZINC000914274552 726213969 /nfs/dbraw/zinc/21/39/69/726213969.db2.gz OMQCDAYAMAMURM-UHFFFAOYSA-N -1 3 346.402 2.980 10 10 EFCEHM O=C(N[C@H](c1ccccc1)C1(CO)CC=CC1)c1cccc(O)c1[O-] ZINC000911847378 727610775 /nfs/dbraw/zinc/61/07/75/727610775.db2.gz VNCQCFOYTXAQGD-GOSISDBHSA-N -1 3 339.391 2.898 10 10 EFCEHM COc1cccc2c1OCC[C@H]2NC(=O)NCc1c([O-])cccc1F ZINC000916004549 727647367 /nfs/dbraw/zinc/64/73/67/727647367.db2.gz WSDFBPYLBSTNER-CQSZACIVSA-N -1 3 346.358 2.863 10 10 EFCEHM COc1ccccc1OCCCNC(=O)NCc1c([O-])cccc1F ZINC000916752769 727735780 /nfs/dbraw/zinc/73/57/80/727735780.db2.gz DHOHVKFLSSPHPD-UHFFFAOYSA-N -1 3 348.374 2.808 10 10 EFCEHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)C(C)(C)C3)c2c1 ZINC000151417239 727857663 /nfs/dbraw/zinc/85/76/63/727857663.db2.gz WHDNFMJZYKQAQU-UHFFFAOYSA-N -1 3 349.452 2.563 10 10 EFCEHM O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1c([O-])cccc1F ZINC000921450849 729460528 /nfs/dbraw/zinc/46/05/28/729460528.db2.gz GJODQQIOFSYSEG-JTQLQIEISA-N -1 3 337.363 2.776 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc2c(c1)SCC(=O)N2 ZINC001596911663 1094552058 /nfs/dbraw/zinc/55/20/58/1094552058.db2.gz IQHLOHTYABFAGT-UHFFFAOYSA-N -1 3 332.356 2.506 10 10 EFCEHM Cn1nc(-c2ccccc2)cc1C(=O)NCc1c([O-])cccc1F ZINC001596916626 1094553421 /nfs/dbraw/zinc/55/34/21/1094553421.db2.gz KDLSONYYFCGARN-UHFFFAOYSA-N -1 3 325.343 2.862 10 10 EFCEHM CN(Cc1ccccc1O)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001622317246 1099501202 /nfs/dbraw/zinc/50/12/02/1099501202.db2.gz DAPCMAHNBQRLAP-UHFFFAOYSA-N -1 3 344.317 2.784 10 10 EFCEHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1c(F)cccc1Cl ZINC001622547272 1099523839 /nfs/dbraw/zinc/52/38/39/1099523839.db2.gz WNLKLVMVUZTJLX-CLAHSXSESA-N -1 3 339.750 2.742 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cc(=O)[nH]c2cc(F)ccc21 ZINC001635360671 1100656660 /nfs/dbraw/zinc/65/66/60/1100656660.db2.gz PPZJTDRCEBEYFQ-UHFFFAOYSA-N -1 3 330.290 2.854 10 10 EFCEHM CSc1ncc(Cl)c(C(=O)NCc2c([O-])cccc2F)n1 ZINC001635360239 1100656671 /nfs/dbraw/zinc/65/66/71/1100656671.db2.gz FOBFTFACXVWQMG-UHFFFAOYSA-N -1 3 327.768 2.627 10 10 EFCEHM O=C(Cc1csc(-c2cccnc2)n1)NCc1c([O-])cccc1F ZINC001635360192 1100656802 /nfs/dbraw/zinc/65/68/02/1100656802.db2.gz CUWWTHHFYOVSLL-UHFFFAOYSA-N -1 3 343.383 2.909 10 10 EFCEHM CC1(C)Cc2cccc(OCC(=O)NCc3c([O-])cccc3F)c2O1 ZINC001638858442 1100892192 /nfs/dbraw/zinc/89/21/92/1100892192.db2.gz UYESSFBLLLWIIA-UHFFFAOYSA-N -1 3 345.370 2.940 10 10 EFCEHM CCc1nc(C(=O)NCc2c([O-])cccc2F)nn1-c1ccccc1 ZINC001638864071 1100892475 /nfs/dbraw/zinc/89/24/75/1100892475.db2.gz SYBOLKDLTDRRNA-UHFFFAOYSA-N -1 3 340.358 2.604 10 10 EFCEHM Cc1nc(C)c(CC(=O)NCc2c(O)ccc3ccccc32)c(=O)[n-]1 ZINC001639384668 1100942866 /nfs/dbraw/zinc/94/28/66/1100942866.db2.gz PKLQBTIMBYATCZ-UHFFFAOYSA-N -1 3 337.379 2.517 10 10 EFCEHM O=C(Nc1ccc(-n2ccccc2=O)cc1F)c1cccc(O)c1[O-] ZINC001641312039 1101125765 /nfs/dbraw/zinc/12/57/65/1101125765.db2.gz MCPAVCHIYCZEEE-UHFFFAOYSA-N -1 3 340.310 2.640 10 10 EFCEHM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1c(F)ccc(O)c1[O-] ZINC001641630439 1101152480 /nfs/dbraw/zinc/15/24/80/1101152480.db2.gz NOURVRRVZOGTOT-UHFFFAOYSA-N -1 3 335.722 2.697 10 10 EFCEHM Cc1onc(-c2cccnc2)c1C(=O)NCc1c([O-])cccc1F ZINC001652298227 1101470942 /nfs/dbraw/zinc/47/09/42/1101470942.db2.gz GJVKCPUOANECJS-UHFFFAOYSA-N -1 3 327.315 2.820 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CSC(c2ccccc2)=N1 ZINC001652298884 1101470959 /nfs/dbraw/zinc/47/09/59/1101470959.db2.gz SEPYXIQAOHDEDI-AWEZNQCLSA-N -1 3 330.384 2.710 10 10 EFCEHM CN(Cc1cc(Cl)cc(Cl)c1[O-])C1CCS(=O)(=O)CC1 ZINC000093476565 1104847794 /nfs/dbraw/zinc/84/77/94/1104847794.db2.gz SWAGJESPEWCVAQ-UHFFFAOYSA-N -1 3 338.256 2.708 10 10 EFCEHM CCN(C)c1ccccc1CNC(=O)NCc1c([O-])cccc1F ZINC000917237099 1112018068 /nfs/dbraw/zinc/01/80/68/1112018068.db2.gz LTOILCAVOMUPAU-UHFFFAOYSA-N -1 3 331.391 2.987 10 10 EFCEHM COC(=O)[C@H](C)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC001299249662 1120737962 /nfs/dbraw/zinc/73/79/62/1120737962.db2.gz KNBKHYPBFYTBHN-LLVKDONJSA-N -1 3 329.352 2.935 10 10 EFCEHM CCn1cnnc1C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000175654584 239280158 /nfs/dbraw/zinc/28/01/58/239280158.db2.gz FSOWIBXFNFDEKX-UHFFFAOYSA-N -1 3 346.406 2.725 10 10 EFCEHM COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177105373 239355985 /nfs/dbraw/zinc/35/59/85/239355985.db2.gz CKCAXPDKJSNNFW-LLVKDONJSA-N -1 3 325.792 2.633 10 10 EFCEHM O=C(NCc1ccc(N2CCCCC2=O)cc1)c1cccc(O)c1[O-] ZINC000192989665 240077615 /nfs/dbraw/zinc/07/76/15/240077615.db2.gz JFGRDHWBQZXLGW-UHFFFAOYSA-N -1 3 340.379 2.545 10 10 EFCEHM CN(C)c1noc([C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000194938914 240187520 /nfs/dbraw/zinc/18/75/20/240187520.db2.gz DTUQJASYSDNDGA-LLVKDONJSA-N -1 3 336.823 2.874 10 10 EFCEHM CN1CC[C@H](NC(=O)c2cccc(O)c2[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000253188924 240308303 /nfs/dbraw/zinc/30/83/03/240308303.db2.gz IGQWJCVHCYVTAM-GOEBONIOSA-N -1 3 348.349 2.551 10 10 EFCEHM O=C1C[C@@H]([C@H]2CCCCN2Cc2c([O-])ccc(Cl)c2F)CN1 ZINC000364470688 242297608 /nfs/dbraw/zinc/29/76/08/242297608.db2.gz DDENKKYMFLAKKZ-ZWNOBZJWSA-N -1 3 326.799 2.675 10 10 EFCEHM CCn1cc([C@H]2CN(Cc3cc(F)cc(C(C)=O)c3[O-])CCO2)cn1 ZINC000190750400 473384006 /nfs/dbraw/zinc/38/40/06/473384006.db2.gz KMFQLGSAOYWUAF-QGZVFWFLSA-N -1 3 347.390 2.524 10 10 EFCEHM COc1ccc(N2CCN(Cc3nc(C)ccc3[O-])CC2)cc1F ZINC000091923150 472825145 /nfs/dbraw/zinc/82/51/45/472825145.db2.gz ABXYYMMPXYGNCK-UHFFFAOYSA-N -1 3 331.391 2.566 10 10 EFCEHM CCCC(=O)N[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079410060 472859565 /nfs/dbraw/zinc/85/95/65/472859565.db2.gz NMFJUXBSIKURHB-OAHLLOKOSA-N -1 3 336.407 2.615 10 10 EFCEHM CC(C)c1nnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1C ZINC000111232878 473197882 /nfs/dbraw/zinc/19/78/82/473197882.db2.gz KZAKNMRZPPRMFK-INIZCTEOSA-N -1 3 344.459 2.825 10 10 EFCEHM C[C@@H](N[C@H]1CCCn2ncnc21)c1cc(Br)ccc1[O-] ZINC000185662465 473482100 /nfs/dbraw/zinc/48/21/00/473482100.db2.gz FHBYUOXAIAHJIN-SKDRFNHKSA-N -1 3 337.221 2.932 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](Oc3cccnc3)C2)c1[O-] ZINC000152347216 473550831 /nfs/dbraw/zinc/55/08/31/473550831.db2.gz FLJMXXNFWFJKDO-INIZCTEOSA-N -1 3 330.359 2.782 10 10 EFCEHM CN1CCCc2cc(CNC(=O)Cc3cccc([O-])c3F)ccc21 ZINC000170597064 473559957 /nfs/dbraw/zinc/55/99/57/473559957.db2.gz KQNPPMUBNQJETK-UHFFFAOYSA-N -1 3 328.387 2.773 10 10 EFCEHM COc1cccc(N2CCC[C@H](NC(=O)c3cccc(O)c3[O-])C2)c1 ZINC000187103737 473818852 /nfs/dbraw/zinc/81/88/52/473818852.db2.gz PPOPWHGTCTZVKW-ZDUSSCGKSA-N -1 3 342.395 2.505 10 10 EFCEHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1N1CCOCC1 ZINC000180230636 473834276 /nfs/dbraw/zinc/83/42/76/473834276.db2.gz RXIYIIJCMYBIGV-ABAIWWIYSA-N -1 3 345.270 2.852 10 10 EFCEHM Cc1nsc(N2CCN(Cc3cc(Cl)cc(C)c3[O-])CC2)n1 ZINC000180449210 473879191 /nfs/dbraw/zinc/87/91/91/473879191.db2.gz TYRYFFIVVBFMIR-UHFFFAOYSA-N -1 3 338.864 2.836 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCCc3nn(C)cc32)c1 ZINC000282493140 474085736 /nfs/dbraw/zinc/08/57/36/474085736.db2.gz RHAYIXXJWTUVIJ-XHDPSFHLSA-N -1 3 329.400 2.641 10 10 EFCEHM CN1CC[C@H](NC(=O)c2ccc([O-])c(O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000225342278 474207941 /nfs/dbraw/zinc/20/79/41/474207941.db2.gz LSYOXLAYZMJQKP-WMLDXEAASA-N -1 3 346.814 2.926 10 10 EFCEHM CC[C@H]1CN(Cc2cc(Cl)cc(C)c2[O-])C[C@H](C)S1(=O)=O ZINC000289675877 474374749 /nfs/dbraw/zinc/37/47/49/474374749.db2.gz DQTARYAARGDFLI-FZMZJTMJSA-N -1 3 331.865 2.752 10 10 EFCEHM C[C@H](C(=O)Nc1ccc([O-])c(CN2CCOCC2)c1)c1ccccc1 ZINC000252571072 474697685 /nfs/dbraw/zinc/69/76/85/474697685.db2.gz XQFTVWZPNVXQMT-HNNXBMFYSA-N -1 3 340.423 2.967 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC(CN2CCOCC2)CC1 ZINC000295278874 475117920 /nfs/dbraw/zinc/11/79/20/475117920.db2.gz IHKVNKIOMNZGIB-UHFFFAOYSA-N -1 3 342.842 2.729 10 10 EFCEHM CCOC(=O)C1(COC)CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000369140471 476393135 /nfs/dbraw/zinc/39/31/35/476393135.db2.gz SLEJSWQTVRJUQV-UHFFFAOYSA-N -1 3 341.835 2.837 10 10 EFCEHM Cc1ccc(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c([O-])c1O ZINC000374727037 476505703 /nfs/dbraw/zinc/50/57/03/476505703.db2.gz QTJWLHJCTZRUFU-WBMJQRKESA-N -1 3 327.380 2.870 10 10 EFCEHM C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccc2cccnc2c1[O-] ZINC000529499764 479181192 /nfs/dbraw/zinc/18/11/92/479181192.db2.gz ACLSBHRLBKGJIS-IAQYHMDHSA-N -1 3 335.201 2.730 10 10 EFCEHM COc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[O-] ZINC000529673864 479243132 /nfs/dbraw/zinc/24/31/32/479243132.db2.gz FOUKYNXJYKPRAK-BHVCSQLQSA-N -1 3 329.849 2.540 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](Cc3noc(C)n3)C2)c1[O-] ZINC000175622593 527211134 /nfs/dbraw/zinc/21/11/34/527211134.db2.gz DGLLBQJJYUNDAB-ZDUSSCGKSA-N -1 3 347.390 2.880 10 10 EFCEHM COc1cc(C)cc2c(=O)oc3c(c12)C(=O)c1cccc([O-])c1C3=O ZINC000006070259 560205033 /nfs/dbraw/zinc/20/50/33/560205033.db2.gz LUXDHHSVJLVLPS-UHFFFAOYSA-N -1 3 336.299 2.591 10 10 in-vitro EFCEHM O=c1[nH]ccc2c1CN(Cc1cccc(Br)c1[O-])CC2 ZINC000756140137 575691823 /nfs/dbraw/zinc/69/18/23/575691823.db2.gz SSTUEJSKUZXOMP-UHFFFAOYSA-N -1 3 335.201 2.814 10 10 EFCEHM C[C@@H](N[C@H]1CCCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756508262 575751203 /nfs/dbraw/zinc/75/12/03/575751203.db2.gz GWAWHPFBJWMUIC-HQJQHLMTSA-N -1 3 347.640 2.737 10 10 EFCEHM C[C@@H](NCc1nnc(-c2ccccc2)[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756866681 575794748 /nfs/dbraw/zinc/79/47/48/575794748.db2.gz ALDYPSCYWDGMJV-LLVKDONJSA-N -1 3 339.355 2.936 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(-c3ccncc3)c2)c1 ZINC000756868841 575794956 /nfs/dbraw/zinc/79/49/56/575794956.db2.gz XCSWWJBMOLRNGZ-GFCCVEGCSA-N -1 3 338.367 2.933 10 10 EFCEHM C[C@H](CN(Cc1ccco1)Cc1ccccc1[O-])CS(C)(=O)=O ZINC000757843584 575854352 /nfs/dbraw/zinc/85/43/52/575854352.db2.gz HGDYMSDAAOYITC-CQSZACIVSA-N -1 3 337.441 2.668 10 10 EFCEHM COc1cccc(C[N-]C(=O)C(F)(F)c2ccccc2F)c1O ZINC000759213231 575887196 /nfs/dbraw/zinc/88/71/96/575887196.db2.gz IVYMHICSQNXAER-UHFFFAOYSA-N -1 3 325.286 2.948 10 10 EFCEHM CC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000766815801 577183632 /nfs/dbraw/zinc/18/36/32/577183632.db2.gz YJFDXTOZYXXTRD-UHFFFAOYSA-N -1 3 341.415 2.929 10 10 EFCEHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H](c2ccccc2)O1 ZINC000768442218 577273822 /nfs/dbraw/zinc/27/38/22/577273822.db2.gz KTEKGKRJQRKOIA-CFSSXQINSA-N -1 3 341.407 2.780 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@H](C)c2nnc3n2CCCCC3)c1[O-] ZINC000771302494 581196935 /nfs/dbraw/zinc/19/69/35/581196935.db2.gz SOOGKXJIJAXCGP-LLVKDONJSA-N -1 3 346.406 2.903 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nccc(OC)c2F)c1 ZINC000850537523 1250528801 /nfs/dbraw/zinc/52/88/01/1250528801.db2.gz RKZOOFVPFLJJSC-JTQLQIEISA-N -1 3 334.347 2.572 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CCO[C@@]2(CCSC2)C1 ZINC000843418066 1260250388 /nfs/dbraw/zinc/25/03/88/1260250388.db2.gz PKFCEAWUDHPOKJ-AWEZNQCLSA-N -1 3 344.274 2.863 10 10 EFCEHM CC(C)(C)OC(=O)CCCCNC(=O)NCc1c([O-])cccc1F ZINC000921792487 1261448969 /nfs/dbraw/zinc/44/89/69/1261448969.db2.gz XXBULDIGEOBDJA-UHFFFAOYSA-N -1 3 340.395 2.843 10 10 EFCEHM COc1ccc2c(c1)[C@@H](NC(=O)NCc1c([O-])cccc1F)CCO2 ZINC000922017082 1264131451 /nfs/dbraw/zinc/13/14/51/1264131451.db2.gz TYHIDRPLMFDCFW-HNNXBMFYSA-N -1 3 346.358 2.863 10 10 EFCEHM CC(C)[C@H](CNC(=O)NCc1c([O-])cccc1F)c1ccnn1C ZINC000922146590 1264532052 /nfs/dbraw/zinc/53/20/52/1264532052.db2.gz VISPTRNAMHGIET-LBPRGKRZSA-N -1 3 334.395 2.504 10 10 EFCEHM COc1ccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)nc1 ZINC000825305876 1278500327 /nfs/dbraw/zinc/50/03/27/1278500327.db2.gz VFKBUPBOAWBTTO-UHFFFAOYSA-N -1 3 333.819 2.771 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000843978927 1278705058 /nfs/dbraw/zinc/70/50/58/1278705058.db2.gz ZMUSFWJWNHDGIR-QGZVFWFLSA-N -1 3 341.407 2.901 10 10 EFCEHM O=C(NCc1cccnc1N1CCCC1)NCc1c([O-])cccc1F ZINC000923196412 1277199661 /nfs/dbraw/zinc/19/96/61/1277199661.db2.gz HWYDQDWDAFAFLW-UHFFFAOYSA-N -1 3 344.390 2.526 10 10 EFCEHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1OC(F)F ZINC000790535051 1277637816 /nfs/dbraw/zinc/63/78/16/1277637816.db2.gz AYGYFQLYRIJUDW-UHFFFAOYSA-N -1 3 339.294 2.638 10 10 EFCEHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccnc(OC(F)F)c2)c1 ZINC000790637775 1277693470 /nfs/dbraw/zinc/69/34/70/1277693470.db2.gz ZJYNULGWFAODOO-UHFFFAOYSA-N -1 3 325.271 2.587 10 10 EFCEHM Cc1cccc(C2(O)CCN(C(=O)c3cccc(O)c3[O-])CC2)c1C ZINC000790786237 1277773003 /nfs/dbraw/zinc/77/30/03/1277773003.db2.gz UGNFWIOIIVYLPG-UHFFFAOYSA-N -1 3 341.407 2.838 10 10 EFCEHM Cc1ccccc1[C@@H](C)N(C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846237963 1280080615 /nfs/dbraw/zinc/08/06/15/1280080615.db2.gz JAQSRSBDAFNPKQ-GFCCVEGCSA-N -1 3 340.383 2.635 10 10 EFCEHM Nc1nccc([C@@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000816601098 1288221388 /nfs/dbraw/zinc/22/13/88/1288221388.db2.gz QUGGCTRMLVJYDJ-SNVBAGLBSA-N -1 3 336.798 2.937 10 10 EFCEHM Nc1nccc([C@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000816601097 1288221480 /nfs/dbraw/zinc/22/14/80/1288221480.db2.gz QUGGCTRMLVJYDJ-JTQLQIEISA-N -1 3 336.798 2.937 10 10 EFCEHM O=C1CN(Cc2ccc3ccccc3c2[O-])CCN1CC(F)(F)F ZINC000816608781 1288223917 /nfs/dbraw/zinc/22/39/17/1288223917.db2.gz JMTQSSIICCCSFF-UHFFFAOYSA-N -1 3 338.329 2.752 10 10 EFCEHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1Cl ZINC000826099930 1292007234 /nfs/dbraw/zinc/00/72/34/1292007234.db2.gz JZSWJCYOSNWCHA-ZFWWWQNUSA-N -1 3 329.849 2.506 10 10 EFCEHM CCN(C)c1ccc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001197169180 1294472442 /nfs/dbraw/zinc/47/24/42/1294472442.db2.gz WYFCIOZUYCTWNL-MRXNPFEDSA-N -1 3 343.393 2.786 10 10 EFCEHM COc1cc(C(=O)NCc2c([O-])cccc2F)cc2c1O[C@H](C)C2 ZINC000928708196 1297125552 /nfs/dbraw/zinc/12/55/52/1297125552.db2.gz DPMMMWURGPZCRP-SNVBAGLBSA-N -1 3 331.343 2.793 10 10 EFCEHM Cc1c(C(=O)NCc2c([O-])cccc2F)nnn1CC1CCCC1 ZINC000928708553 1297126776 /nfs/dbraw/zinc/12/67/76/1297126776.db2.gz OTTIEZVJNHGHRG-UHFFFAOYSA-N -1 3 332.379 2.551 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](n3cncn3)C2)c1 ZINC000777223491 1302253273 /nfs/dbraw/zinc/25/32/73/1302253273.db2.gz ZDIRCUURMLRYRY-GFCCVEGCSA-N -1 3 337.221 2.502 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN2CC[C@H](n3cncn3)C2)c1 ZINC000777223492 1302253392 /nfs/dbraw/zinc/25/33/92/1302253392.db2.gz ZDIRCUURMLRYRY-LBPRGKRZSA-N -1 3 337.221 2.502 10 10 EFCEHM C[C@@](CO)(NCc1cc(Cl)cc(F)c1[O-])c1cccc(O)c1 ZINC000862432642 1302381994 /nfs/dbraw/zinc/38/19/94/1302381994.db2.gz LTTVQMZRRGCVGI-INIZCTEOSA-N -1 3 325.767 2.888 10 10 EFCEHM CC[C@@H]([NH2+]Cc1nc2c(c(=O)[n-]1)COCC2)c1cccc(Cl)c1[O-] ZINC000866629405 1303718882 /nfs/dbraw/zinc/71/88/82/1303718882.db2.gz OCGKWGSQMMBORD-CYBMUJFWSA-N -1 3 349.818 2.855 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCOc3cc(N)ccc3C2)c1[O-] ZINC000866690990 1303750361 /nfs/dbraw/zinc/75/03/61/1303750361.db2.gz CXIKJYDMFIRVOH-UHFFFAOYSA-N -1 3 330.359 2.711 10 10 EFCEHM C[C@H](NCc1cn(C)nc1Br)c1c([O-])cccc1F ZINC000903188689 1312443542 /nfs/dbraw/zinc/44/35/42/1312443542.db2.gz VZPKUVPPGCZVII-QMMMGPOBSA-N -1 3 328.185 2.878 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](c2ncccn2)C2CC2)c1 ZINC000903327718 1312573377 /nfs/dbraw/zinc/57/33/77/1312573377.db2.gz XWESYVIXLWKTRV-BDJLRTHQSA-N -1 3 327.384 2.771 10 10 EFCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001255331810 1315804849 /nfs/dbraw/zinc/80/48/49/1315804849.db2.gz WFEMXXVJENXSEJ-JTQLQIEISA-N -1 3 333.319 3.000 10 10 EFCEHM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cccc(O)c1[O-])C(=O)N2 ZINC001293558645 1322284453 /nfs/dbraw/zinc/28/44/53/1322284453.db2.gz QNCPOWQKKZEXSG-GFCCVEGCSA-N -1 3 340.379 2.516 10 10 EFCEHM Cc1ccc(C)c(C2=NO[C@@H](C(=O)NCc3c([O-])cccc3F)C2)c1 ZINC001303876068 1324623616 /nfs/dbraw/zinc/62/36/16/1324623616.db2.gz UDGQQSSKAVTQLX-GOSISDBHSA-N -1 3 342.370 2.958 10 10 EFCEHM Cc1ccc(C)c(C2=NO[C@H](C(=O)NCc3c([O-])cccc3F)C2)c1 ZINC001303876075 1324624146 /nfs/dbraw/zinc/62/41/46/1324624146.db2.gz UDGQQSSKAVTQLX-SFHVURJKSA-N -1 3 342.370 2.958 10 10 EFCEHM COC(=O)c1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])nc1 ZINC001331397310 1330832609 /nfs/dbraw/zinc/83/26/09/1330832609.db2.gz SNLWGQQLWBVWJC-UHFFFAOYSA-N -1 3 346.358 2.548 10 10 EFCEHM CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2[O-])N(C)C)cc1 ZINC001439959023 1389370135 /nfs/dbraw/zinc/37/01/35/1389370135.db2.gz BELKDIPHBJBQMF-QGZVFWFLSA-N -1 3 345.418 2.630 10 10 EFCEHM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(O)cc1[O-] ZINC001463814789 1396523060 /nfs/dbraw/zinc/52/30/60/1396523060.db2.gz SOVBRRDLCJWJQX-UHFFFAOYSA-N -1 3 326.396 2.970 10 10 EFCEHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2c([O-])cccc2F)c1 ZINC001471975378 1397229911 /nfs/dbraw/zinc/22/99/11/1397229911.db2.gz XNJJXECSKOBAPU-UHFFFAOYSA-N -1 3 348.330 2.833 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001479304106 1397674011 /nfs/dbraw/zinc/67/40/11/1397674011.db2.gz BDPZNTBQULZDMM-CZUORRHYSA-N -1 3 334.322 2.802 10 10 EFCEHM CC[C@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@H](C)S1(=O)=O ZINC000840946826 717984412 /nfs/dbraw/zinc/98/44/12/717984412.db2.gz VRTAJLKLCFYQCU-RYUDHWBXSA-N -1 3 331.865 2.752 10 10 EFCEHM Cc1cc([O-])c(CN[C@@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000840949427 718500483 /nfs/dbraw/zinc/50/04/83/718500483.db2.gz XHVKZKSGOPFOKI-CQSZACIVSA-N -1 3 337.828 2.972 10 10 EFCEHM Cc1cc([O-])c(CN2CCC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000840950594 718558424 /nfs/dbraw/zinc/55/84/24/718558424.db2.gz OVQGXADHMNMUPX-GFCCVEGCSA-N -1 3 331.865 2.611 10 10 EFCEHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCN(CC(F)(F)F)C1 ZINC000894916006 723027906 /nfs/dbraw/zinc/02/79/06/723027906.db2.gz HPUFUZLCCJELND-JTQLQIEISA-N -1 3 338.320 2.986 10 10 EFCEHM COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Cl)c(C)cc1[O-] ZINC000895867308 724361857 /nfs/dbraw/zinc/36/18/57/724361857.db2.gz VTHSCNRUPYNRSA-GXTWGEPZSA-N -1 3 327.808 2.554 10 10 EFCEHM C[C@@H](O)C[C@H](CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000921450046 729460498 /nfs/dbraw/zinc/46/04/98/729460498.db2.gz RAPBYYMCSZKWEI-UKRRQHHQSA-N -1 3 346.402 2.885 10 10 EFCEHM Cc1csc([C@@H](NC(=O)c2cccc(O)c2[O-])C(F)(F)F)n1 ZINC001569812535 1085631247 /nfs/dbraw/zinc/63/12/47/1085631247.db2.gz NIQZKNRCSZSDNY-SNVBAGLBSA-N -1 3 332.303 2.896 10 10 EFCEHM CCN1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708135236 1093129816 /nfs/dbraw/zinc/12/98/16/1093129816.db2.gz YKSFLEMLWCNSQN-UHFFFAOYSA-N -1 3 333.657 2.946 10 10 EFCEHM O=C([N-]Cc1cc(O)ccc1O)C(F)(F)c1c(F)cccc1F ZINC001651225409 1093542288 /nfs/dbraw/zinc/54/22/88/1093542288.db2.gz IFNSBGCQSUHCIC-UHFFFAOYSA-N -1 3 329.249 2.784 10 10 EFCEHM O=C(Nc1cccnc1)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001594212316 1094422850 /nfs/dbraw/zinc/42/28/50/1094422850.db2.gz LVXILJYELCSMTQ-UHFFFAOYSA-N -1 3 349.346 2.997 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001596916639 1094553549 /nfs/dbraw/zinc/55/35/49/1094553549.db2.gz KHUIGQPQCISYQT-UHFFFAOYSA-N -1 3 347.296 2.925 10 10 EFCEHM CCCCOCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC001167735178 1098697561 /nfs/dbraw/zinc/69/75/61/1098697561.db2.gz UGLJSKZRWCGAFE-UHFFFAOYSA-N -1 3 329.824 2.837 10 10 EFCEHM O=C([N-]N1Cc2ccccc2C1=O)c1cc2cc(O)c(O)cc2s1 ZINC001624972842 1099756437 /nfs/dbraw/zinc/75/64/37/1099756437.db2.gz AZGSMGUARQYBHI-UHFFFAOYSA-N -1 3 340.360 2.613 10 10 EFCEHM CCN(Cc1ccc(OC)cc1OC)C(=O)c1cccc(O)c1[O-] ZINC001625287915 1099790421 /nfs/dbraw/zinc/79/04/21/1099790421.db2.gz BNPQGIWYOWGBBL-UHFFFAOYSA-N -1 3 331.368 2.777 10 10 EFCEHM Cc1nc(C2(NC(=O)c3cccc(O)c3[O-])CCCCCC2)no1 ZINC001626431642 1099876288 /nfs/dbraw/zinc/87/62/88/1099876288.db2.gz YMOJLZXAXKACRX-UHFFFAOYSA-N -1 3 331.372 2.769 10 10 EFCEHM O=C(NCc1nc(-c2ccncc2)cs1)c1cccc(O)c1[O-] ZINC001632108275 1100454439 /nfs/dbraw/zinc/45/44/39/1100454439.db2.gz ZLTTZALBABBUID-UHFFFAOYSA-N -1 3 327.365 2.546 10 10 EFCEHM O=C(CCCn1cnc2ccccc21)NCc1c([O-])cccc1F ZINC001635360252 1100656683 /nfs/dbraw/zinc/65/66/83/1100656683.db2.gz GGTVYZGDBFCVFZ-UHFFFAOYSA-N -1 3 327.359 2.978 10 10 EFCEHM CCc1nc2ccccc2n1CC(=O)NCc1c([O-])cccc1F ZINC001635360328 1100656847 /nfs/dbraw/zinc/65/68/47/1100656847.db2.gz JPONYKTXDOJESH-UHFFFAOYSA-N -1 3 327.359 2.760 10 10 EFCEHM COc1c(F)cc(NC(=O)c2cccc(O)c2[O-])c(OC)c1F ZINC001635893450 1100686556 /nfs/dbraw/zinc/68/65/56/1100686556.db2.gz HHUWWKGDRJATCF-UHFFFAOYSA-N -1 3 325.267 2.646 10 10 EFCEHM C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCc1c([O-])cccc1F ZINC001638864343 1100892929 /nfs/dbraw/zinc/89/29/29/1100892929.db2.gz WVPUXYZELCSOGB-LBPRGKRZSA-N -1 3 339.370 2.970 10 10 EFCEHM CN(C(=O)c1cccc(O)c1[O-])[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001639603771 1100966249 /nfs/dbraw/zinc/96/62/49/1100966249.db2.gz YUCLRADEAKNCJV-HNNXBMFYSA-N -1 3 341.342 2.822 10 10 EFCEHM O=C(NCc1cc(F)ccc1OC(F)F)c1cccc(O)c1[O-] ZINC001168046490 1101211163 /nfs/dbraw/zinc/21/11/63/1101211163.db2.gz NPNNAMZETSXCEI-UHFFFAOYSA-N -1 3 327.258 2.768 10 10 EFCEHM COc1ncc(Br)c(NCc2c([O-])cccc2F)n1 ZINC001643210435 1101280811 /nfs/dbraw/zinc/28/08/11/1101280811.db2.gz XOVKNHQTPMHSPQ-UHFFFAOYSA-N -1 3 328.141 2.705 10 10 EFCEHM Cc1nn(-c2ccccc2)cc1C(=O)NCc1c([O-])cccc1F ZINC001652295534 1101470845 /nfs/dbraw/zinc/47/08/45/1101470845.db2.gz NFMYWJHDBYDNMN-UHFFFAOYSA-N -1 3 325.343 2.955 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ncc(Br)s1 ZINC001652298581 1101471031 /nfs/dbraw/zinc/47/10/31/1101471031.db2.gz MYNVVPDWOBAXFK-UHFFFAOYSA-N -1 3 331.166 2.680 10 10 EFCEHM Cc1csc(C[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000899543966 1109380139 /nfs/dbraw/zinc/38/01/39/1109380139.db2.gz GAUKELYQABQXQY-GFCCVEGCSA-N -1 3 332.425 2.958 10 10 EFCEHM COc1cc(Cl)cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1[O-] ZINC000248897905 240296848 /nfs/dbraw/zinc/29/68/48/240296848.db2.gz VTVQTOXKTFBPHZ-RRFJBIMHSA-N -1 3 341.835 2.823 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN[C@]1(CO)CCOc2ccccc21 ZINC000294705721 241050944 /nfs/dbraw/zinc/05/09/44/241050944.db2.gz OJXPXDDITHGDPZ-KRWDZBQOSA-N -1 3 337.778 2.945 10 10 EFCEHM CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295484071 241054639 /nfs/dbraw/zinc/05/46/39/241054639.db2.gz XFVQEDWOYFSYNW-HOTGVXAUSA-N -1 3 343.826 2.937 10 10 EFCEHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@]2(CCOC2)O1 ZINC000366566490 242357455 /nfs/dbraw/zinc/35/74/55/242357455.db2.gz AGYFSIOVQDEFKB-CRAIPNDOSA-N -1 3 337.391 2.504 10 10 EFCEHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000100572806 206248706 /nfs/dbraw/zinc/24/87/06/206248706.db2.gz MMEOSEHSMKAOOM-GXDHUFHOSA-N -1 3 333.351 2.575 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000365699755 296253795 /nfs/dbraw/zinc/25/37/95/296253795.db2.gz FERLTRGAEXUOGN-IBGZPJMESA-N -1 3 325.364 2.760 10 10 EFCEHM COc1ccc(N2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000042047480 132813749 /nfs/dbraw/zinc/81/37/49/132813749.db2.gz FZBMZRFJCSVYDT-UHFFFAOYSA-N -1 3 326.396 2.672 10 10 EFCEHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(N2CCN(C)CC2)cc1 ZINC000055709765 472227686 /nfs/dbraw/zinc/22/76/86/472227686.db2.gz NVZAHSLFKKAVTD-HNNXBMFYSA-N -1 3 339.439 2.635 10 10 EFCEHM C[C@@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000120624514 472720147 /nfs/dbraw/zinc/72/01/47/472720147.db2.gz ZELVSZBTMMVMHK-WDEREUQCSA-N -1 3 333.259 2.586 10 10 EFCEHM COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(O)c([O-])c(Cl)c1 ZINC000048325055 472857190 /nfs/dbraw/zinc/85/71/90/472857190.db2.gz AATCJYJVBBWWLJ-INIZCTEOSA-N -1 3 348.786 2.964 10 10 EFCEHM COC(=O)[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000092643637 472948906 /nfs/dbraw/zinc/94/89/06/472948906.db2.gz AFGDYAPESDGLIB-JTQLQIEISA-N -1 3 328.206 2.540 10 10 EFCEHM Cc1ccc(N2CCCN(Cc3cc(Cl)ccc3[O-])CC2)nn1 ZINC000093271806 473070739 /nfs/dbraw/zinc/07/07/39/473070739.db2.gz KSSZZKNSOSUZFT-UHFFFAOYSA-N -1 3 332.835 2.856 10 10 EFCEHM COC(=O)[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000123184154 473108743 /nfs/dbraw/zinc/10/87/43/473108743.db2.gz AFGDYAPESDGLIB-SNVBAGLBSA-N -1 3 328.206 2.540 10 10 EFCEHM COc1c(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)c(C)nn1C ZINC000160191485 473095240 /nfs/dbraw/zinc/09/52/40/473095240.db2.gz JPUZZTHHUXNUPW-MRXNPFEDSA-N -1 3 345.443 2.624 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CCC[C@@H](n2cncn2)C1 ZINC000179464121 473689797 /nfs/dbraw/zinc/68/97/97/473689797.db2.gz BBWOUNIJUFYJEB-CYBMUJFWSA-N -1 3 337.221 2.583 10 10 EFCEHM Cc1ccc(N2CCCN(Cc3cccc(Cl)c3[O-])CC2)nn1 ZINC000180078640 473791968 /nfs/dbraw/zinc/79/19/68/473791968.db2.gz SUOJODMZUTYHGJ-UHFFFAOYSA-N -1 3 332.835 2.856 10 10 EFCEHM [O-]c1c(Cl)cccc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000180084194 473793448 /nfs/dbraw/zinc/79/34/48/473793448.db2.gz ZUOQSVJWACVMSX-GOSISDBHSA-N -1 3 346.858 2.897 10 10 EFCEHM Cc1cc(Cl)cc(CN([C@@H](C)CS(C)(=O)=O)C2CC2)c1[O-] ZINC000180245532 473837017 /nfs/dbraw/zinc/83/70/17/473837017.db2.gz JARMJBFQKQTXFZ-NSHDSACASA-N -1 3 331.865 2.752 10 10 EFCEHM CN1CC[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000187217328 473839142 /nfs/dbraw/zinc/83/91/42/473839142.db2.gz IGQWJCVHCYVTAM-HOCLYGCPSA-N -1 3 348.349 2.551 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCCc3nn(C)cc32)c1 ZINC000282493133 474085485 /nfs/dbraw/zinc/08/54/85/474085485.db2.gz RHAYIXXJWTUVIJ-ABAIWWIYSA-N -1 3 329.400 2.641 10 10 EFCEHM Cc1ccc(N2CCC(NC(=O)c3ccc(C)c(O)c3[O-])CC2)nc1 ZINC000182497051 474190057 /nfs/dbraw/zinc/19/00/57/474190057.db2.gz SAIXTBIIBPQUMG-UHFFFAOYSA-N -1 3 341.411 2.508 10 10 EFCEHM Cc1ccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)c([O-])c1O ZINC000182554235 474204524 /nfs/dbraw/zinc/20/45/24/474204524.db2.gz ZHZXVASGKBARNP-UHFFFAOYSA-N -1 3 343.383 2.866 10 10 EFCEHM CCc1nnc(CNCc2cc(Br)ccc2[O-])s1 ZINC000289416641 474261531 /nfs/dbraw/zinc/26/15/31/474261531.db2.gz AYBUFWUNOQRWCC-UHFFFAOYSA-N -1 3 328.235 2.858 10 10 EFCEHM CCCOc1ccc(CN2CCN(c3cc(C)[nH]n3)CC2)c([O-])c1 ZINC000189021219 474266629 /nfs/dbraw/zinc/26/66/29/474266629.db2.gz XQZUPNLRLRSCOW-UHFFFAOYSA-N -1 3 330.432 2.535 10 10 EFCEHM Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c([O-])c1O ZINC000182941853 474292989 /nfs/dbraw/zinc/29/29/89/474292989.db2.gz NUCNHRZYXACVJQ-JKSUJKDBSA-N -1 3 326.396 2.581 10 10 EFCEHM O=c1[nH]ccc2c1CN(Cc1cc(Br)ccc1[O-])CC2 ZINC000277125609 474578731 /nfs/dbraw/zinc/57/87/31/474578731.db2.gz YDUNQYIPPMIEJD-UHFFFAOYSA-N -1 3 335.201 2.814 10 10 EFCEHM CN1CCC(CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000293101461 474813342 /nfs/dbraw/zinc/81/33/42/474813342.db2.gz ZIPZBQQIDAQSET-UHFFFAOYSA-N -1 3 341.249 2.503 10 10 EFCEHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)NCc1ccco1 ZINC000293676652 475047626 /nfs/dbraw/zinc/04/76/26/475047626.db2.gz RCKKQQVUKLNFTO-SECBINFHSA-N -1 3 326.755 2.572 10 10 EFCEHM O=C(C1CC1)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294813286 475084776 /nfs/dbraw/zinc/08/47/76/475084776.db2.gz WYAOPCDYBLODQP-UHFFFAOYSA-N -1 3 326.799 2.629 10 10 EFCEHM Cn1ccnc1[C@@H](NCc1cc(Cl)c(F)cc1[O-])C(C)(C)CO ZINC000294957402 475093847 /nfs/dbraw/zinc/09/38/47/475093847.db2.gz DMZASLQXZYKHQE-CQSZACIVSA-N -1 3 341.814 2.768 10 10 EFCEHM CCCCN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000294986929 475095623 /nfs/dbraw/zinc/09/56/23/475095623.db2.gz SXYDSMITUGXSGJ-GFCCVEGCSA-N -1 3 349.855 2.974 10 10 EFCEHM CCCCN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000294986939 475095778 /nfs/dbraw/zinc/09/57/78/475095778.db2.gz SXYDSMITUGXSGJ-LBPRGKRZSA-N -1 3 349.855 2.974 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3ccncn3)C2)c1[O-] ZINC000378048464 476678924 /nfs/dbraw/zinc/67/89/24/476678924.db2.gz WVCAKKDETIMOFS-CYBMUJFWSA-N -1 3 329.375 2.904 10 10 EFCEHM COc1cc(Br)cc(CN2CCO[C@@H](C3CC3)C2)c1[O-] ZINC000375330918 476783135 /nfs/dbraw/zinc/78/31/35/476783135.db2.gz GWLDZSCNXHPPJC-CQSZACIVSA-N -1 3 342.233 2.774 10 10 EFCEHM Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c([O-])c1O ZINC000371677217 477438988 /nfs/dbraw/zinc/43/89/88/477438988.db2.gz RTQGGMXDYBCADO-GOEBONIOSA-N -1 3 327.380 2.914 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000368421588 477805165 /nfs/dbraw/zinc/80/51/65/477805165.db2.gz FFOIPRPPYCIDLZ-CYBMUJFWSA-N -1 3 327.336 2.804 10 10 EFCEHM CC1(N2CCOCC2)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000529662461 479237522 /nfs/dbraw/zinc/23/75/22/479237522.db2.gz GUAUTAOYLXXLPZ-UHFFFAOYSA-N -1 3 342.842 2.871 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N(C)C)CC2)c1[O-] ZINC000176986060 527207283 /nfs/dbraw/zinc/20/72/83/527207283.db2.gz GEUJXNWELSLBSJ-UHFFFAOYSA-N -1 3 338.835 2.548 10 10 EFCEHM C[C@H](NC[C@H](O)C(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756448783 575741381 /nfs/dbraw/zinc/74/13/81/575741381.db2.gz FYDVGUNTEJWHEB-RRAGMBSWSA-N -1 3 346.118 2.868 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nccn2CC(C)C)c1 ZINC000756596489 575766606 /nfs/dbraw/zinc/76/66/06/575766606.db2.gz DRQFLGKUKRFKTJ-ZDUSSCGKSA-N -1 3 331.416 2.882 10 10 EFCEHM C[C@H](NCc1nnc(-c2ccccc2)[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756866682 575794679 /nfs/dbraw/zinc/79/46/79/575794679.db2.gz ALDYPSCYWDGMJV-NSHDSACASA-N -1 3 339.355 2.936 10 10 EFCEHM COc1ccc(O)c([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000761981577 576237330 /nfs/dbraw/zinc/23/73/30/576237330.db2.gz HNIFDLMPZFNUFY-NSHDSACASA-N -1 3 338.363 2.733 10 10 EFCEHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000762921086 576347222 /nfs/dbraw/zinc/34/72/22/576347222.db2.gz PEQAOJNSIXGFRE-PWSUYJOCSA-N -1 3 340.445 2.829 10 10 EFCEHM CN1CC[C@@H](NC(=O)c2cc([O-])cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000765419945 577040537 /nfs/dbraw/zinc/04/05/37/577040537.db2.gz YZOOYSYTLQPHAY-UKRRQHHQSA-N -1 3 338.379 2.907 10 10 EFCEHM C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768448305 577274629 /nfs/dbraw/zinc/27/46/29/577274629.db2.gz BTSXAESHNBIJMP-MJWYBRSISA-N -1 3 341.407 2.780 10 10 EFCEHM Cc1csc(C2(NCc3cc4c(cc3[O-])OC[C@@H]4O)CCC2)n1 ZINC000768464899 577276219 /nfs/dbraw/zinc/27/62/19/577276219.db2.gz GFHNVJPUQYFVFV-AWEZNQCLSA-N -1 3 332.425 2.752 10 10 EFCEHM CCOc1ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000768901882 577315475 /nfs/dbraw/zinc/31/54/75/577315475.db2.gz BERARNOSPIWRKZ-GOSISDBHSA-N -1 3 340.423 2.854 10 10 EFCEHM CC[C@@H]([NH2+]Cc1nnc(COC)[n-]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850514747 1250518762 /nfs/dbraw/zinc/51/87/62/1250518762.db2.gz QEHNJQGWZZLTKA-LLVKDONJSA-N -1 3 344.337 2.916 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCc2ccccc2OC1 ZINC000922374167 1265863805 /nfs/dbraw/zinc/86/38/05/1265863805.db2.gz ONVCEGGUCUSQFH-CYBMUJFWSA-N -1 3 330.359 2.724 10 10 EFCEHM COC(=O)CN(CCC[C@H]1CCOC1)Cc1cc(Cl)ccc1[O-] ZINC000828062541 1257118906 /nfs/dbraw/zinc/11/89/06/1257118906.db2.gz KAPCLJGBXARQPI-ZDUSSCGKSA-N -1 3 341.835 2.837 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000923347823 1261512576 /nfs/dbraw/zinc/51/25/76/1261512576.db2.gz XRVRPNFBDFXHSL-JCURWCKSSA-N -1 3 330.334 2.808 10 10 EFCEHM CO[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922876131 1267063030 /nfs/dbraw/zinc/06/30/30/1267063030.db2.gz SQTRLDAOYVPXKO-WBVHZDCISA-N -1 3 330.359 2.643 10 10 EFCEHM O=C(NCc1ccccc1OC(F)(F)F)c1cccc(O)c1[O-] ZINC000186829265 1267747716 /nfs/dbraw/zinc/74/77/16/1267747716.db2.gz DGIQFIURWMKUFV-UHFFFAOYSA-N -1 3 327.258 2.926 10 10 EFCEHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825123659 1278418927 /nfs/dbraw/zinc/41/89/27/1278418927.db2.gz BKMUKUIYIQBUQA-JMCQJSRRSA-N -1 3 327.705 2.930 10 10 EFCEHM CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001136388543 1277354302 /nfs/dbraw/zinc/35/43/02/1277354302.db2.gz WCRWDNGPOMNYDB-UHFFFAOYSA-N -1 3 328.368 2.832 10 10 EFCEHM Cn1ccnc1C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790809446 1277760311 /nfs/dbraw/zinc/76/03/11/1277760311.db2.gz VYKCPBFOAUBVGX-OAHLLOKOSA-N -1 3 337.379 2.545 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(C3(O)CC3)CC2)c1[O-] ZINC000846008847 1279973162 /nfs/dbraw/zinc/97/31/62/1279973162.db2.gz RDPTWPDGCCVUBR-UHFFFAOYSA-N -1 3 326.780 2.691 10 10 EFCEHM CCNC(=O)N(C)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000794112116 1280033475 /nfs/dbraw/zinc/03/34/75/1280033475.db2.gz AYEKBMWWNXMEQV-UHFFFAOYSA-N -1 3 329.356 2.516 10 10 EFCEHM Cc1ccc([C@@H](C)N(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000846237613 1280082000 /nfs/dbraw/zinc/08/20/00/1280082000.db2.gz FXJQTEDKMHBGGX-GFCCVEGCSA-N -1 3 340.383 2.635 10 10 EFCEHM COc1cc(NC(=O)c2cccc(O)c2[O-])c(OC)c(C)c1OC ZINC000794391916 1280169101 /nfs/dbraw/zinc/16/91/01/1280169101.db2.gz CWNQEQUQIQWSHT-UHFFFAOYSA-N -1 3 333.340 2.684 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000816502455 1288173497 /nfs/dbraw/zinc/17/34/97/1288173497.db2.gz BLCQRVODNNMRJE-AWEZNQCLSA-N -1 3 342.842 2.871 10 10 EFCEHM COc1c([O-])c(CN2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000828013995 1289668337 /nfs/dbraw/zinc/66/83/37/1289668337.db2.gz QHMAGSDBVVZVJB-UHFFFAOYSA-N -1 3 346.387 2.617 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(F)(F)F)CC2)c1[O-] ZINC000880047589 1292346055 /nfs/dbraw/zinc/34/60/55/1292346055.db2.gz VDXZAQVFYGWNGC-CYBMUJFWSA-N -1 3 335.297 2.887 10 10 EFCEHM Cc1nn(CC(F)F)c(C)c1C(=O)NCc1c([O-])cccc1F ZINC000928708698 1297125971 /nfs/dbraw/zinc/12/59/71/1297125971.db2.gz QVXREXSXOOKDGJ-UHFFFAOYSA-N -1 3 327.306 2.540 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nn(C)cc2C(F)F)c1 ZINC000866565123 1303688700 /nfs/dbraw/zinc/68/87/00/1303688700.db2.gz IFONXULYCUMYQX-SECBINFHSA-N -1 3 339.342 2.701 10 10 EFCEHM CC[C@H]([NH2+]Cc1nc2c(c(=O)[n-]1)COCC2)c1cccc(Cl)c1[O-] ZINC000866629406 1303718847 /nfs/dbraw/zinc/71/88/47/1303718847.db2.gz OCGKWGSQMMBORD-ZDUSSCGKSA-N -1 3 349.818 2.855 10 10 EFCEHM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000901651608 1310824951 /nfs/dbraw/zinc/82/49/51/1310824951.db2.gz QUQPKIDEHUGLSV-UHFFFAOYSA-N -1 3 345.420 2.752 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nc(CN(C)C)cs2)c1 ZINC000903223244 1312477172 /nfs/dbraw/zinc/47/71/72/1312477172.db2.gz YOSDRPHWPVSIPC-LLVKDONJSA-N -1 3 349.456 2.548 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CSc2ccccc2O1 ZINC001252325907 1315436080 /nfs/dbraw/zinc/43/60/80/1315436080.db2.gz YBVAJZXQHLTHPQ-NSHDSACASA-N -1 3 348.399 2.884 10 10 EFCEHM CCN(Cc1ccccc1NC(=O)c1cccc(O)c1[O-])C(C)=O ZINC001290782188 1321961548 /nfs/dbraw/zinc/96/15/48/1321961548.db2.gz MDXYDOLTLNDMRN-UHFFFAOYSA-N -1 3 328.368 2.719 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001303878622 1324624470 /nfs/dbraw/zinc/62/44/70/1324624470.db2.gz PLSFZCPOWLCIMQ-UHFFFAOYSA-N -1 3 346.749 2.695 10 10 EFCEHM O=C(N[C@H](CO)c1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC001303994891 1324630210 /nfs/dbraw/zinc/63/02/10/1324630210.db2.gz HJQNAVSIUICZLO-GFCCVEGCSA-N -1 3 341.285 2.580 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cccnc1Br ZINC001306898388 1324730040 /nfs/dbraw/zinc/73/00/40/1324730040.db2.gz BGUXDSFBMJGXAP-UHFFFAOYSA-N -1 3 325.137 2.619 10 10 EFCEHM CN(C)c1ccc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c(C(F)(F)F)c1 ZINC000902554607 1324787929 /nfs/dbraw/zinc/78/79/29/1324787929.db2.gz KREQDABCSQSWNV-GUTXKFCHSA-N -1 3 342.361 2.924 10 10 EFCEHM CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC001464215183 1396557053 /nfs/dbraw/zinc/55/70/53/1396557053.db2.gz SWPQIFYNLIADPV-GFCCVEGCSA-N -1 3 342.395 2.556 10 10 EFCEHM O=C(CCc1nc(-c2cccs2)no1)NCc1c([O-])cccc1F ZINC001471974564 1397229498 /nfs/dbraw/zinc/22/94/98/1397229498.db2.gz FMVRTLFXMTVIFM-UHFFFAOYSA-N -1 3 347.371 2.892 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cnn(-c2ccccc2F)c1 ZINC001471974811 1397229625 /nfs/dbraw/zinc/22/96/25/1397229625.db2.gz LBOXKVRJRAPWMO-UHFFFAOYSA-N -1 3 329.306 2.786 10 10 EFCEHM Cc1oc(-c2ccco2)nc1CC(=O)NCc1c([O-])cccc1F ZINC001558455758 1415180683 /nfs/dbraw/zinc/18/06/83/1415180683.db2.gz XVTMIQVVZCTAHC-UHFFFAOYSA-N -1 3 330.315 2.947 10 10 EFCEHM COC[C@@H](CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-])C(C)C ZINC001559607779 1415251278 /nfs/dbraw/zinc/25/12/78/1415251278.db2.gz XHGBCFVQUAXEFB-CQSZACIVSA-N -1 3 343.851 2.939 10 10 EFCEHM COC(=O)CCc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001646034565 1416603980 /nfs/dbraw/zinc/60/39/80/1416603980.db2.gz MYWCSZVXBWBTFZ-UHFFFAOYSA-N -1 3 331.343 2.567 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccnn1CCc1ccccc1 ZINC001646035223 1416604585 /nfs/dbraw/zinc/60/45/85/1416604585.db2.gz SJQWPAJGQSDIAM-UHFFFAOYSA-N -1 3 339.370 2.901 10 10 EFCEHM Cc1cc([O-])c(CN[C@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000840949424 718500498 /nfs/dbraw/zinc/50/04/98/718500498.db2.gz XHVKZKSGOPFOKI-AWEZNQCLSA-N -1 3 337.828 2.972 10 10 EFCEHM COC(=O)CN(Cc1[nH]nc(C)c1C)Cc1cc(Cl)ccc1[O-] ZINC000894014668 720227036 /nfs/dbraw/zinc/22/70/36/720227036.db2.gz PACWUKPTWFZIJV-UHFFFAOYSA-N -1 3 337.807 2.561 10 10 EFCEHM [O-]c1c(F)cc(F)cc1CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000894881449 722937428 /nfs/dbraw/zinc/93/74/28/722937428.db2.gz PHPDZLXOOVMZQF-CRAIPNDOSA-N -1 3 337.341 2.970 10 10 EFCEHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCN(CC(F)(F)F)C1 ZINC000894916008 723027929 /nfs/dbraw/zinc/02/79/29/723027929.db2.gz HPUFUZLCCJELND-SNVBAGLBSA-N -1 3 338.320 2.986 10 10 EFCEHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(N(CC)CC)cc2)[n-]1 ZINC000895238302 723914240 /nfs/dbraw/zinc/91/42/40/723914240.db2.gz XNQIBZJFPWSBJF-CYBMUJFWSA-N -1 3 345.447 2.678 10 10 EFCEHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836303 724343362 /nfs/dbraw/zinc/34/33/62/724343362.db2.gz KZWDXGUQGDUPJN-LBPRGKRZSA-N -1 3 327.705 2.931 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@H]1COc2ccccc2C1 ZINC000913938547 725961668 /nfs/dbraw/zinc/96/16/68/725961668.db2.gz BOHSVUPRLUCZOG-LBPRGKRZSA-N -1 3 330.359 2.582 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCN(c2ccccc2)C1 ZINC000914163483 726093275 /nfs/dbraw/zinc/09/32/75/726093275.db2.gz YWMWUJIHIAKFRR-CQSZACIVSA-N -1 3 343.402 2.857 10 10 EFCEHM COc1ccc(OCCCNC(=O)NCc2c([O-])cccc2F)cc1 ZINC000914359776 726262914 /nfs/dbraw/zinc/26/29/14/726262914.db2.gz WEWQFPPJAAGPLZ-UHFFFAOYSA-N -1 3 348.374 2.808 10 10 EFCEHM O=C(NCc1ccc2c(c1)OCCCO2)NCc1c([O-])cccc1F ZINC000916474384 727689746 /nfs/dbraw/zinc/68/97/46/727689746.db2.gz OSFGDHNGKLGRJU-UHFFFAOYSA-N -1 3 346.358 2.692 10 10 EFCEHM O=C(NCCCSc1nccs1)NCc1c([O-])cccc1F ZINC000921447978 729459909 /nfs/dbraw/zinc/45/99/09/729459909.db2.gz ZQPWLCANVGUUPZ-UHFFFAOYSA-N -1 3 341.433 2.969 10 10 EFCEHM C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921451200 729460543 /nfs/dbraw/zinc/46/05/43/729460543.db2.gz LLTWPXIJTRTARD-MRVPVSSYSA-N -1 3 329.315 2.539 10 10 EFCEHM COc1c(C)cc(C)cc1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452676 729460849 /nfs/dbraw/zinc/46/08/49/729460849.db2.gz WGAUAASTBSSUJL-UHFFFAOYSA-N -1 3 339.388 2.635 10 10 EFCEHM O=C(N[C@@H](CO)c1cccc(Cl)c1Cl)c1cccc(O)c1[O-] ZINC001585056895 1092359567 /nfs/dbraw/zinc/35/95/67/1092359567.db2.gz FBRKPDKWVATUHP-NSHDSACASA-N -1 3 342.178 2.868 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cc(Br)cnc1F ZINC001596917129 1094552819 /nfs/dbraw/zinc/55/28/19/1094552819.db2.gz VQSIOSMNDGLBBW-UHFFFAOYSA-N -1 3 343.127 2.758 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001596916121 1094553386 /nfs/dbraw/zinc/55/33/86/1094553386.db2.gz AAGUHUIWDNEVEN-AWEZNQCLSA-N -1 3 343.276 2.900 10 10 EFCEHM CSc1cc2c(cc1NC(=O)c1cccc(O)c1[O-])OCCO2 ZINC001598435870 1094677980 /nfs/dbraw/zinc/67/79/80/1094677980.db2.gz ZDMWOVMFLYCJQN-UHFFFAOYSA-N -1 3 333.365 2.843 10 10 EFCEHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1C(=O)NC(C)C ZINC001616960447 1099203993 /nfs/dbraw/zinc/20/39/93/1099203993.db2.gz BBKQZSIDQUARLL-UHFFFAOYSA-N -1 3 328.368 2.797 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2NC(=O)C[C@H]2c2ccccc2)c1[O-] ZINC001620692372 1099371249 /nfs/dbraw/zinc/37/12/49/1099371249.db2.gz WJVVSVGUKHIVTF-INIZCTEOSA-N -1 3 328.343 2.712 10 10 EFCEHM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc(O)c1[O-] ZINC001624630568 1099712843 /nfs/dbraw/zinc/71/28/43/1099712843.db2.gz VPKIPIXDWLBBRM-UHFFFAOYSA-N -1 3 326.396 2.970 10 10 EFCEHM Cn1cc(-c2ccc(C(=O)NCc3c([O-])cccc3F)cc2)cn1 ZINC001635366919 1100657635 /nfs/dbraw/zinc/65/76/35/1100657635.db2.gz REFWJPIHFQUSRL-UHFFFAOYSA-N -1 3 325.343 2.862 10 10 EFCEHM C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1c([O-])cccc1F ZINC001638864342 1100892979 /nfs/dbraw/zinc/89/29/79/1100892979.db2.gz WVPUXYZELCSOGB-GFCCVEGCSA-N -1 3 339.370 2.970 10 10 EFCEHM COc1ccc(/C=C\C(=O)NCc2c([O-])cccc2F)cc1OC ZINC001638866629 1100893083 /nfs/dbraw/zinc/89/30/83/1100893083.db2.gz HHBSEUYAASATFU-CLFYSBASSA-N -1 3 331.343 2.878 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001638866923 1100893406 /nfs/dbraw/zinc/89/34/06/1100893406.db2.gz UFAYEBNJMVEKFC-UHFFFAOYSA-N -1 3 341.342 2.852 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@H](O)c1ccccc1C(F)(F)F ZINC001638866882 1100893910 /nfs/dbraw/zinc/89/39/10/1100893910.db2.gz QYHYAZNZWDSDRY-CQSZACIVSA-N -1 3 343.276 2.900 10 10 EFCEHM Cc1ccc(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)c([O-])c1O ZINC001642885191 1101252449 /nfs/dbraw/zinc/25/24/49/1101252449.db2.gz BUICHDMXSJLPOT-AWEZNQCLSA-N -1 3 326.352 2.610 10 10 EFCEHM CO[C@H](C)c1noc(CN(C)Cc2c([O-])ccc3ccncc32)n1 ZINC000748092273 1101739485 /nfs/dbraw/zinc/73/94/85/1101739485.db2.gz CNVOQTDCPCOOFH-LLVKDONJSA-N -1 3 328.372 2.663 10 10 EFCEHM Cc1nc2ccccc2n1CCC(=O)NCc1c([O-])cccc1F ZINC001654829039 1101760471 /nfs/dbraw/zinc/76/04/71/1101760471.db2.gz QAEASBGHUPOLNS-UHFFFAOYSA-N -1 3 327.359 2.896 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@H](CO)c2cc(F)ccc2F)c1[O-] ZINC001655091799 1101783631 /nfs/dbraw/zinc/78/36/31/1101783631.db2.gz BNCGBOBUEWTDOG-MRXNPFEDSA-N -1 3 339.313 2.835 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@@H](CO)c2cc(F)ccc2F)c1[O-] ZINC001655091797 1101784059 /nfs/dbraw/zinc/78/40/59/1101784059.db2.gz BNCGBOBUEWTDOG-INIZCTEOSA-N -1 3 339.313 2.835 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCN(CC(C)(F)F)CC2)c1[O-] ZINC001660337598 1102695668 /nfs/dbraw/zinc/69/56/68/1102695668.db2.gz BKSWSHOOPWWTRV-UHFFFAOYSA-N -1 3 330.350 2.507 10 10 EFCEHM Cc1csc(C[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000899543967 1109380554 /nfs/dbraw/zinc/38/05/54/1109380554.db2.gz GAUKELYQABQXQY-LBPRGKRZSA-N -1 3 332.425 2.958 10 10 EFCEHM CCn1cnnc1[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000175625116 239280511 /nfs/dbraw/zinc/28/05/11/239280511.db2.gz MCMMXZRBJQFLGC-CYBMUJFWSA-N -1 3 346.406 2.725 10 10 EFCEHM CCCOc1ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c([O-])c1 ZINC000245712354 240260256 /nfs/dbraw/zinc/26/02/56/240260256.db2.gz CLEUHROEVKLETG-KVSKMBFKSA-N -1 3 335.444 2.949 10 10 EFCEHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)cc(C(C)=O)c3[O-])[C@@H]2C1 ZINC000246863250 240274496 /nfs/dbraw/zinc/27/44/96/240274496.db2.gz QUCICMNQVOKIJG-DJIMGWMZSA-N -1 3 337.391 2.502 10 10 EFCEHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000248806894 240295299 /nfs/dbraw/zinc/29/52/99/240295299.db2.gz GYVIZCKLAPHNDM-WPGHFRTFSA-N -1 3 335.375 2.507 10 10 EFCEHM CCOCc1nc([C@@H](C)NCc2cc(Cl)cc(OC)c2[O-])no1 ZINC000290939273 241024562 /nfs/dbraw/zinc/02/45/62/241024562.db2.gz PSHHWBWKZXTIBN-SECBINFHSA-N -1 3 341.795 2.825 10 10 EFCEHM COC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363717645 242281515 /nfs/dbraw/zinc/28/15/15/242281515.db2.gz HTOATPSMFLZMSB-AWEZNQCLSA-N -1 3 340.851 2.551 10 10 EFCEHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(F)cc(C(C)=O)c3[O-])[C@H]2C1 ZINC000158265359 533432958 /nfs/dbraw/zinc/43/29/58/533432958.db2.gz QUCICMNQVOKIJG-PVAVHDDUSA-N -1 3 337.391 2.502 10 10 EFCEHM C[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595044 277629622 /nfs/dbraw/zinc/62/96/22/277629622.db2.gz QEERVDDFQFGCBF-MLGOLLRUSA-N -1 3 341.367 2.757 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN(C)[C@H](C)C[S@](C)=O)c1 ZINC000095940826 473226018 /nfs/dbraw/zinc/22/60/18/473226018.db2.gz SVCYASXJMBMBJR-MLCYQJTMSA-N -1 3 334.279 2.662 10 10 EFCEHM CN(Cc1ccc(F)cc1)Cc1cc(=O)oc2cc([O-])c(O)cc12 ZINC000012785788 471796400 /nfs/dbraw/zinc/79/64/00/471796400.db2.gz FXWXTHZTKLWSMU-UHFFFAOYSA-N -1 3 329.327 2.975 10 10 EFCEHM COC(=O)c1cc2ccccc2c(CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000014185871 471859185 /nfs/dbraw/zinc/85/91/85/471859185.db2.gz BVFMMYDWYOTABL-CHWSQXEVSA-N -1 3 329.396 2.941 10 10 EFCEHM C[C@H](c1ccncc1)N(C)Cc1cc(=O)oc2cc([O-])c(O)cc12 ZINC000097135224 472458292 /nfs/dbraw/zinc/45/82/92/472458292.db2.gz VCWOOPXJLOOHLT-LLVKDONJSA-N -1 3 326.352 2.792 10 10 EFCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)COC ZINC000120988337 472779579 /nfs/dbraw/zinc/77/95/79/472779579.db2.gz CMJIAXJTFTUOJZ-SNVBAGLBSA-N -1 3 330.222 2.786 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CCN(CC(F)F)CC1 ZINC000092586398 472940324 /nfs/dbraw/zinc/94/03/24/472940324.db2.gz BSWPVDBSQHCWRW-UHFFFAOYSA-N -1 3 335.192 2.537 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN(C)[C@@H](C)C[S@@](C)=O)c1 ZINC000108395029 473023902 /nfs/dbraw/zinc/02/39/02/473023902.db2.gz SVCYASXJMBMBJR-YPMLDQLKSA-N -1 3 334.279 2.662 10 10 EFCEHM Cc1cc(Cl)cc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1[O-] ZINC000179602501 473697853 /nfs/dbraw/zinc/69/78/53/473697853.db2.gz BUIKTOQANBIFEB-MRXNPFEDSA-N -1 3 330.815 2.766 10 10 EFCEHM Cc1cc(CN2CCN(Cc3cc(Cl)cc(C)c3[O-])CC2)no1 ZINC000179609140 473698385 /nfs/dbraw/zinc/69/83/85/473698385.db2.gz IOUJFKITVBWRNG-UHFFFAOYSA-N -1 3 335.835 2.968 10 10 EFCEHM CC(C)(C)n1cc(CN2CCN(Cc3cc(F)ccc3[O-])CC2)cn1 ZINC000180107652 473800777 /nfs/dbraw/zinc/80/07/77/473800777.db2.gz NDVWZLROASDUKQ-UHFFFAOYSA-N -1 3 346.450 2.801 10 10 EFCEHM O=C(c1cccs1)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180151992 473811213 /nfs/dbraw/zinc/81/12/13/473811213.db2.gz XRCZKTIKVOOZFL-UHFFFAOYSA-N -1 3 334.416 2.941 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000246488785 473877367 /nfs/dbraw/zinc/87/73/67/473877367.db2.gz PEEQKGBBFFHMMT-DGCLKSJQSA-N -1 3 344.820 2.660 10 10 EFCEHM C[C@H](NCc1cccc(N2CCOCC2)n1)c1ccc(F)cc1[O-] ZINC000274775995 473954047 /nfs/dbraw/zinc/95/40/47/473954047.db2.gz JEBWKDNEVYOACF-ZDUSSCGKSA-N -1 3 331.391 2.614 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCCc3nn(C)cc32)c1 ZINC000282493135 474085549 /nfs/dbraw/zinc/08/55/49/474085549.db2.gz RHAYIXXJWTUVIJ-IAQYHMDHSA-N -1 3 329.400 2.641 10 10 EFCEHM CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2[O-])C[C@H](C)S1(=O)=O ZINC000289675887 474374795 /nfs/dbraw/zinc/37/47/95/474374795.db2.gz DQTARYAARGDFLI-SMDDNHRTSA-N -1 3 331.865 2.752 10 10 EFCEHM COC(=O)[C@H](CF)NCc1ccc(OCc2ccccc2)cc1[O-] ZINC000290639778 474580673 /nfs/dbraw/zinc/58/06/73/474580673.db2.gz YKXSLCKBDNOQCO-INIZCTEOSA-N -1 3 333.359 2.572 10 10 EFCEHM COc1cc(C)cc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278310069 474606317 /nfs/dbraw/zinc/60/63/17/474606317.db2.gz DYGXBGSVZSBOKJ-UHFFFAOYSA-N -1 3 332.356 2.916 10 10 EFCEHM COc1c([O-])c(CN[C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278309916 474606668 /nfs/dbraw/zinc/60/66/68/474606668.db2.gz DWMAZQXCTSHGFG-CQSZACIVSA-N -1 3 332.356 2.522 10 10 EFCEHM COc1c([O-])c(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278533449 474685997 /nfs/dbraw/zinc/68/59/97/474685997.db2.gz VOFXJNSAEWGWKX-TZMCWYRMSA-N -1 3 338.404 2.538 10 10 EFCEHM COc1c([O-])c(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278533448 474686309 /nfs/dbraw/zinc/68/63/09/474686309.db2.gz VOFXJNSAEWGWKX-OCCSQVGLSA-N -1 3 338.404 2.538 10 10 EFCEHM O=C1CN(Cc2c([O-])ccc3ccccc32)CCN1CC(F)(F)F ZINC000285099863 474891943 /nfs/dbraw/zinc/89/19/43/474891943.db2.gz LAUWJXJNRRDODF-UHFFFAOYSA-N -1 3 338.329 2.752 10 10 EFCEHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1C ZINC000280636204 475040177 /nfs/dbraw/zinc/04/01/77/475040177.db2.gz UIIHEVWIGXUTGX-UHFFFAOYSA-N -1 3 337.397 2.827 10 10 EFCEHM CN(C)C(=O)CC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293740030 475050582 /nfs/dbraw/zinc/05/05/82/475050582.db2.gz XDWDQSIOQLEUOB-UHFFFAOYSA-N -1 3 328.815 2.875 10 10 EFCEHM CC(C)C(=O)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295340984 475121690 /nfs/dbraw/zinc/12/16/90/475121690.db2.gz MQJKGYXHIJCQGK-UHFFFAOYSA-N -1 3 328.815 2.875 10 10 EFCEHM COc1c([O-])c(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292757735 475185832 /nfs/dbraw/zinc/18/58/32/475185832.db2.gz JEQDKCNLAZMGJU-RISCZKNCSA-N -1 3 328.315 2.786 10 10 EFCEHM Cc1ccc(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)c([O-])c1O ZINC000374727034 476505100 /nfs/dbraw/zinc/50/51/00/476505100.db2.gz QTJWLHJCTZRUFU-MLGOLLRUSA-N -1 3 327.380 2.870 10 10 EFCEHM COc1c([O-])c(CNc2cccc3c2OCC[C@@H]3O)ccc1[N+](=O)[O-] ZINC000377080340 477632319 /nfs/dbraw/zinc/63/23/19/477632319.db2.gz UKZDGNFLZOJOGZ-AWEZNQCLSA-N -1 3 346.339 2.737 10 10 EFCEHM Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c([O-])c1O ZINC000368086306 477783768 /nfs/dbraw/zinc/78/37/68/477783768.db2.gz PCFUHTDWWWOJIL-HZPDHXFCSA-N -1 3 344.386 2.721 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000368421589 477805785 /nfs/dbraw/zinc/80/57/85/477805785.db2.gz FFOIPRPPYCIDLZ-ZDUSSCGKSA-N -1 3 327.336 2.804 10 10 EFCEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000529387150 479142301 /nfs/dbraw/zinc/14/23/01/479142301.db2.gz KKMPVVLYNLASHY-RZGXBDKHSA-N -1 3 342.233 2.830 10 10 EFCEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000529387147 479143023 /nfs/dbraw/zinc/14/30/23/479143023.db2.gz KKMPVVLYNLASHY-PUXPGTEJSA-N -1 3 342.233 2.830 10 10 EFCEHM C[C@]1(Br)C[C@@H]1C(=O)NCc1ccc2cccnc2c1[O-] ZINC000529499762 479181252 /nfs/dbraw/zinc/18/12/52/479181252.db2.gz ACLSBHRLBKGJIS-ABAIWWIYSA-N -1 3 335.201 2.730 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC(Cn3cccn3)CC2)c1[O-] ZINC000175651743 527208831 /nfs/dbraw/zinc/20/88/31/527208831.db2.gz PHWSKPLFUUZBSO-UHFFFAOYSA-N -1 3 331.391 2.843 10 10 EFCEHM CN1CCCc2cc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)ccc21 ZINC000057550259 536396951 /nfs/dbraw/zinc/39/69/51/536396951.db2.gz LZNSEAIHQCKCNK-UHFFFAOYSA-N -1 3 347.418 2.841 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CO)c2sccc2C)c1 ZINC000756736607 575782423 /nfs/dbraw/zinc/78/24/23/575782423.db2.gz ORVBDIUPNCGANH-SMDDNHRTSA-N -1 3 335.425 2.933 10 10 EFCEHM C[C@H](NCc1ccn(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000756777266 575786111 /nfs/dbraw/zinc/78/61/11/575786111.db2.gz HLDNHBINNAEEBU-QMMMGPOBSA-N -1 3 328.185 2.878 10 10 EFCEHM Cc1cc(Br)c([O-])c(CNC2COC(C)(C)OC2)c1 ZINC000758010902 575857961 /nfs/dbraw/zinc/85/79/61/575857961.db2.gz WBFPCAYGZDSMTB-UHFFFAOYSA-N -1 3 330.222 2.704 10 10 EFCEHM CSCCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000761359868 576150715 /nfs/dbraw/zinc/15/07/15/576150715.db2.gz IQAHOJGIRZYWOG-UHFFFAOYSA-N -1 3 342.848 2.953 10 10 EFCEHM CN1CC[C@H](NC(=O)c2cc([O-])cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000765419950 577040552 /nfs/dbraw/zinc/04/05/52/577040552.db2.gz YZOOYSYTLQPHAY-ZFWWWQNUSA-N -1 3 338.379 2.907 10 10 EFCEHM CN(Cc1nc2c(s1)CCCC2)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462627 577275882 /nfs/dbraw/zinc/27/58/82/577275882.db2.gz ASYUYPWJGVAKQR-OAHLLOKOSA-N -1 3 346.452 2.785 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]3COCC[C@H]32)c1[O-] ZINC000770285310 577410005 /nfs/dbraw/zinc/41/00/05/577410005.db2.gz FRDMFZGEPRQJQO-GXFFZTMASA-N -1 3 326.780 2.955 10 10 EFCEHM COc1c([O-])c(CNc2cccc(N(C)C(C)=O)c2)ccc1[N+](=O)[O-] ZINC000774934442 581504505 /nfs/dbraw/zinc/50/45/05/581504505.db2.gz JPAVDNSKPGXCMX-UHFFFAOYSA-N -1 3 345.355 2.904 10 10 EFCEHM COc1c([O-])c(CN[C@@H](C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000774963783 581505268 /nfs/dbraw/zinc/50/52/68/581505268.db2.gz KKGHVLCAJKWTQR-JTQLQIEISA-N -1 3 346.339 2.889 10 10 EFCEHM CNC(=O)[C@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781897740 1249551062 /nfs/dbraw/zinc/55/10/62/1249551062.db2.gz SNNMFIIMOOMXEJ-CYBMUJFWSA-N -1 3 341.249 2.564 10 10 EFCEHM C[C@@H](NCc1cnc(C(F)(F)F)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850485305 1250502601 /nfs/dbraw/zinc/50/26/01/1250502601.db2.gz DIYWGRHFUBWLKC-MRVPVSSYSA-N -1 3 342.277 2.960 10 10 EFCEHM C[C@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850500002 1250510468 /nfs/dbraw/zinc/51/04/68/1250510468.db2.gz BVQJXJJIZFXFAH-NHYWBVRUSA-N -1 3 341.367 2.539 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000921526763 1257012298 /nfs/dbraw/zinc/01/22/98/1257012298.db2.gz JBQXPDWDWVKFCH-IYOUNJFTSA-N -1 3 326.371 2.916 10 10 EFCEHM CN(C)Cc1csc(CNCc2c([O-])ccc(Cl)c2F)n1 ZINC000922488132 1266127226 /nfs/dbraw/zinc/12/72/26/1266127226.db2.gz CLDWJBGEHJGHCF-UHFFFAOYSA-N -1 3 329.828 2.993 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CCO[C@]2(CCSC2)C1 ZINC000843418067 1260250497 /nfs/dbraw/zinc/25/04/97/1260250497.db2.gz PKFCEAWUDHPOKJ-CQSZACIVSA-N -1 3 344.274 2.863 10 10 EFCEHM O=C(NCc1ccc2c(n1)CCCC2)NCc1c([O-])cccc1F ZINC000922215255 1264975572 /nfs/dbraw/zinc/97/55/72/1264975572.db2.gz ZOYBWTKTDQJREW-UHFFFAOYSA-N -1 3 329.375 2.805 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000922731034 1266700230 /nfs/dbraw/zinc/70/02/30/1266700230.db2.gz NOIOCRPLIFFUEZ-GUYCJALGSA-N -1 3 345.374 2.646 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124756 1278419355 /nfs/dbraw/zinc/41/93/55/1278419355.db2.gz XJYJZLMNMPKLLG-KRTXAFLBSA-N -1 3 327.705 2.930 10 10 EFCEHM COc1ccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)nc1 ZINC000825305088 1278498307 /nfs/dbraw/zinc/49/83/07/1278498307.db2.gz CPZBAGHMMAXUIY-UHFFFAOYSA-N -1 3 333.819 2.771 10 10 EFCEHM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000788489931 1276197676 /nfs/dbraw/zinc/19/76/76/1276197676.db2.gz RIFZUGBGNTYRGK-UHFFFAOYSA-N -1 3 338.454 2.981 10 10 EFCEHM Cc1cc([O-])c(CN2CCn3c(CC4CC4)nnc3C2)c(Cl)c1 ZINC000846013694 1279976912 /nfs/dbraw/zinc/97/69/12/1279976912.db2.gz LUUWMUNRVIMNKC-UHFFFAOYSA-N -1 3 332.835 2.914 10 10 EFCEHM CN1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805184491 1280472806 /nfs/dbraw/zinc/47/28/06/1280472806.db2.gz NYSQRIDNVHPETQ-NSHDSACASA-N -1 3 332.231 2.592 10 10 EFCEHM CN1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805184489 1280473105 /nfs/dbraw/zinc/47/31/05/1280473105.db2.gz NYSQRIDNVHPETQ-LLVKDONJSA-N -1 3 332.231 2.592 10 10 EFCEHM O=c1c(NCc2cc(Br)ccc2[O-])nccn1C(F)F ZINC000808071442 1281515101 /nfs/dbraw/zinc/51/51/01/1281515101.db2.gz ZUAPUCTYWKSTNC-UHFFFAOYSA-N -1 3 346.131 2.719 10 10 EFCEHM CC[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@]2(CCOC2)O1 ZINC000816596880 1288219246 /nfs/dbraw/zinc/21/92/46/1288219246.db2.gz VLTFSTWJOYMOTD-LRDDRELGSA-N -1 3 329.799 2.955 10 10 EFCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C)n1-c1cnn(C)c1 ZINC001178412666 1288780457 /nfs/dbraw/zinc/78/04/57/1288780457.db2.gz DDUZNVLJCUNGES-UHFFFAOYSA-N -1 3 342.374 2.602 10 10 EFCEHM CCOc1nc2cc(C(=O)NCc3c([O-])cccc3F)ccc2[nH]1 ZINC001178412824 1288781247 /nfs/dbraw/zinc/78/12/47/1288781247.db2.gz GZQPGGYGRUPBIT-UHFFFAOYSA-N -1 3 329.331 2.736 10 10 EFCEHM COC(=O)[C@H](CC(C)C)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000795548656 1290162131 /nfs/dbraw/zinc/16/21/31/1290162131.db2.gz KPKDSSSRCYNGCP-HNNXBMFYSA-N -1 3 325.380 2.753 10 10 EFCEHM COC(=O)[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000092643833 1290797962 /nfs/dbraw/zinc/79/79/62/1290797962.db2.gz FJQVOTAKIAYJOK-NSHDSACASA-N -1 3 328.206 2.540 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc(CN2CCCC2=O)cc1 ZINC000928709689 1297125451 /nfs/dbraw/zinc/12/54/51/1297125451.db2.gz LCSDFNWTKHFRTL-UHFFFAOYSA-N -1 3 342.370 2.584 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCO[C@@H](C)C1 ZINC000779012932 1297742892 /nfs/dbraw/zinc/74/28/92/1297742892.db2.gz KUXIYSMCIMJIDD-QWHCGFSZSA-N -1 3 341.835 2.836 10 10 EFCEHM COc1cccc2[nH]cc(CCNC(=O)c3cccc(O)c3[O-])c21 ZINC000193155473 1298414244 /nfs/dbraw/zinc/41/42/44/1298414244.db2.gz UCCHALPJWGWVFM-UHFFFAOYSA-N -1 3 326.352 2.560 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCOc3ccc(O)cc3C2)c1[O-] ZINC000852689480 1299815198 /nfs/dbraw/zinc/81/51/98/1299815198.db2.gz BZSJKQAYBXRVGL-UHFFFAOYSA-N -1 3 331.343 2.834 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](CC(F)(F)F)C2)c1[O-] ZINC000852740472 1299850645 /nfs/dbraw/zinc/85/06/45/1299850645.db2.gz BVQFKZLLWMCNRC-LBPRGKRZSA-N -1 3 335.297 2.887 10 10 EFCEHM COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(Cl)c(C)cc1[O-] ZINC000862516860 1302404191 /nfs/dbraw/zinc/40/41/91/1302404191.db2.gz ZZXPMYMGJSDAPE-IUODEOHRSA-N -1 3 341.835 2.802 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccn(C3CCSCC3)n2)c([O-])c1O ZINC000869939904 1305048148 /nfs/dbraw/zinc/04/81/48/1305048148.db2.gz CLJNMSKIWLEXLX-UHFFFAOYSA-N -1 3 333.413 2.923 10 10 EFCEHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(OC)c1OC ZINC000871277960 1305949763 /nfs/dbraw/zinc/94/97/63/1305949763.db2.gz IJEWBKYFNMZGCV-ZDUSSCGKSA-N -1 3 331.368 2.996 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)Nc1ccc(N2CCCC2)nc1 ZINC000902945411 1312230438 /nfs/dbraw/zinc/23/04/38/1312230438.db2.gz STUCYKAALWRNCY-UHFFFAOYSA-N -1 3 330.363 2.848 10 10 EFCEHM COC(=O)c1cc2cccnc2c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001304059316 1324634933 /nfs/dbraw/zinc/63/49/33/1324634933.db2.gz ACNZUOLAZPIJDW-UHFFFAOYSA-N -1 3 338.319 2.685 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCOc2c(F)cccc21 ZINC001313357376 1325013238 /nfs/dbraw/zinc/01/32/38/1325013238.db2.gz NVFUWAVZCKNKQQ-CQSZACIVSA-N -1 3 334.322 2.993 10 10 EFCEHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](O)CC2(CCOCC2)C1 ZINC001333734558 1331204060 /nfs/dbraw/zinc/20/40/60/1331204060.db2.gz PCUAYGIQELDKME-LLVKDONJSA-N -1 3 329.799 2.548 10 10 EFCEHM CN(c1ccc(CNC(=O)c2cc(=O)[n-]cn2)cc1)C1CCCCC1 ZINC001464534595 1396585240 /nfs/dbraw/zinc/58/52/40/1396585240.db2.gz FGQAYZBGOMGIFI-UHFFFAOYSA-N -1 3 340.427 2.881 10 10 EFCEHM COc1ccc2c(c1)[C@H](NC(=O)NCc1c([O-])cccc1F)CCO2 ZINC001469687716 1397048744 /nfs/dbraw/zinc/04/87/44/1397048744.db2.gz TYHIDRPLMFDCFW-OAHLLOKOSA-N -1 3 346.358 2.863 10 10 EFCEHM Cc1ccc(-c2nn(C)cc2C(=O)NCc2c([O-])cccc2F)o1 ZINC001471975882 1397229705 /nfs/dbraw/zinc/22/97/05/1397229705.db2.gz LCGJYLWBAFONHH-UHFFFAOYSA-N -1 3 329.331 2.763 10 10 EFCEHM Nc1ccc(C(=O)NCc2c([O-])cccc2F)cc1OC(F)(F)F ZINC001558455804 1415180813 /nfs/dbraw/zinc/18/08/13/1415180813.db2.gz ZCQKTJWGHFXLGK-UHFFFAOYSA-N -1 3 344.264 2.942 10 10 EFCEHM CC(=O)N1Cc2ccc(NC(=O)NCc3c([O-])cccc3F)cc2C1 ZINC001562450065 1415341267 /nfs/dbraw/zinc/34/12/67/1415341267.db2.gz AKVIIHRSULDBNX-UHFFFAOYSA-N -1 3 343.358 2.715 10 10 EFCEHM CCNC(=O)Nc1cc(F)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001566222267 1415535813 /nfs/dbraw/zinc/53/58/13/1415535813.db2.gz KBYSCZJKPLGWBA-UHFFFAOYSA-N -1 3 333.319 2.631 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc2c(c1)CCCC(=O)N2 ZINC001646028920 1416603129 /nfs/dbraw/zinc/60/31/29/1416603129.db2.gz NGCILJTXTFHTEX-UHFFFAOYSA-N -1 3 328.343 2.736 10 10 EFCEHM c1cc(N2CCCCC2)ccc1CNC1(c2nn[n-]n2)CCCC1 ZINC000735407441 1424284065 /nfs/dbraw/zinc/28/40/65/1424284065.db2.gz IIHFRHRUORLIRF-UHFFFAOYSA-N -1 3 326.448 2.749 10 10 EFCEHM c1cc(N2CCCCC2)ccc1CNC1(c2nnn[n-]2)CCCC1 ZINC000735407441 1424284068 /nfs/dbraw/zinc/28/40/68/1424284068.db2.gz IIHFRHRUORLIRF-UHFFFAOYSA-N -1 3 326.448 2.749 10 10 EFCEHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000175810850 713697039 /nfs/dbraw/zinc/69/70/39/713697039.db2.gz VDMXLSGIDJZKDY-SNVBAGLBSA-N -1 3 325.380 2.896 10 10 EFCEHM CC(C)(C)OC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000327910523 718790988 /nfs/dbraw/zinc/79/09/88/718790988.db2.gz UBZNDWSJFUYZBZ-HNNXBMFYSA-N -1 3 343.379 2.911 10 10 EFCEHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928705878 724581930 /nfs/dbraw/zinc/58/19/30/724581930.db2.gz OPUQWBUUADSFGU-NSHDSACASA-N -1 3 340.395 2.651 10 10 EFCEHM COC(=O)[C@](C)(CCF)NCc1cc(Br)ccc1[O-] ZINC000827352738 725589567 /nfs/dbraw/zinc/58/95/67/725589567.db2.gz OHVMEXUIWMYEKW-ZDUSSCGKSA-N -1 3 334.185 2.536 10 10 EFCEHM COc1cccc2c1OCC[C@@H]2NC(=O)NCc1c([O-])cccc1F ZINC000916004547 727647320 /nfs/dbraw/zinc/64/73/20/727647320.db2.gz WSDFBPYLBSTNER-AWEZNQCLSA-N -1 3 346.358 2.863 10 10 EFCEHM C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921451201 729460410 /nfs/dbraw/zinc/46/04/10/729460410.db2.gz LLTWPXIJTRTARD-QMMMGPOBSA-N -1 3 329.315 2.539 10 10 EFCEHM C[C@]1(CS(=O)(=O)NCc2c([O-])cccc2F)CC1(Cl)Cl ZINC000921450578 729460546 /nfs/dbraw/zinc/46/05/46/729460546.db2.gz AYUPFXXOFKOUOL-LLVKDONJSA-N -1 3 342.219 2.535 10 10 EFCEHM O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NCc1c([O-])cccc1F ZINC000921451613 729460825 /nfs/dbraw/zinc/46/08/25/729460825.db2.gz SQTYCSJLGKFGDU-MRVPVSSYSA-N -1 3 342.219 2.535 10 10 EFCEHM CC(C)(C)OC(=O)c1cncc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001570811919 1086532243 /nfs/dbraw/zinc/53/22/43/1086532243.db2.gz OHGSRCVEYLEIJX-UHFFFAOYSA-N -1 3 330.340 2.700 10 10 EFCEHM CC(C)CNC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001570846973 1086564964 /nfs/dbraw/zinc/56/49/64/1086564964.db2.gz ZKUDXPCSRFHRHH-UHFFFAOYSA-N -1 3 328.368 2.736 10 10 EFCEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001587316802 1092799915 /nfs/dbraw/zinc/79/99/15/1092799915.db2.gz MTPAPSNNNRDUJN-UHFFFAOYSA-N -1 3 339.395 2.513 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ncoc1CCC(F)(F)F ZINC001596912120 1094552917 /nfs/dbraw/zinc/55/29/17/1094552917.db2.gz LTUIZPUACMPILX-UHFFFAOYSA-N -1 3 332.253 2.944 10 10 EFCEHM O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cccc(O)c1[O-] ZINC001630114354 1100276405 /nfs/dbraw/zinc/27/64/05/1100276405.db2.gz VUKRXUSNBNAODR-CYBMUJFWSA-N -1 3 342.178 2.868 10 10 EFCEHM O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cccc(O)c1[O-] ZINC001630114355 1100276635 /nfs/dbraw/zinc/27/66/35/1100276635.db2.gz VUKRXUSNBNAODR-ZDUSSCGKSA-N -1 3 342.178 2.868 10 10 EFCEHM CCN(C(=O)c1cccc(O)c1[O-])[C@H](COC)Cc1ccccc1 ZINC001630697145 1100331691 /nfs/dbraw/zinc/33/16/91/1100331691.db2.gz BAUXTVFIAJZTNM-HNNXBMFYSA-N -1 3 329.396 2.818 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1noc(-c2cccc(F)c2)n1 ZINC001635360195 1100656429 /nfs/dbraw/zinc/65/64/29/1100656429.db2.gz CVPACCCTWBXRPB-UHFFFAOYSA-N -1 3 331.278 2.650 10 10 EFCEHM Cc1noc(-c2ccc(C(=O)NCc3c([O-])cccc3F)cc2)n1 ZINC001635360146 1100656560 /nfs/dbraw/zinc/65/65/60/1100656560.db2.gz AXKGGCHSUMMYQW-UHFFFAOYSA-N -1 3 327.315 2.820 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cnnn1-c1ccccc1Cl ZINC001635360295 1100656785 /nfs/dbraw/zinc/65/67/85/1100656785.db2.gz IEOYDPVMEPNUCN-UHFFFAOYSA-N -1 3 346.749 2.695 10 10 EFCEHM O=C(C[C@@H]1CC(=O)Nc2ccccc21)NCc1c([O-])cccc1F ZINC001638866777 1100892328 /nfs/dbraw/zinc/89/23/28/1100892328.db2.gz MJOPEONCSXIZPA-LLVKDONJSA-N -1 3 328.343 2.664 10 10 EFCEHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccncc1Br ZINC001651367183 1101318964 /nfs/dbraw/zinc/31/89/64/1101318964.db2.gz KZUNSGDWMKKNCQ-QMMMGPOBSA-N -1 3 337.173 2.746 10 10 EFCEHM CC(C)NC(=O)Nc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001652295472 1101471696 /nfs/dbraw/zinc/47/16/96/1101471696.db2.gz KUTPUMFIABLNNS-UHFFFAOYSA-N -1 3 345.374 2.991 10 10 EFCEHM C[C@H]1CCN(c2cc(C(=O)NCc3c([O-])cccc3F)ccn2)C1 ZINC001652295899 1101471918 /nfs/dbraw/zinc/47/19/18/1101471918.db2.gz UPKPGQVLVBLZDE-LBPRGKRZSA-N -1 3 329.375 2.703 10 10 EFCEHM CC(=O)N(C)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001674021030 1106123339 /nfs/dbraw/zinc/12/33/39/1106123339.db2.gz INAQKHURKZTYKB-UHFFFAOYSA-N -1 3 331.347 2.836 10 10 EFCEHM Cc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001675249130 1106324326 /nfs/dbraw/zinc/32/43/26/1106324326.db2.gz QFRAAVJVXZEZHZ-UHFFFAOYSA-N -1 3 333.319 2.747 10 10 EFCEHM Cc1ccccc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055106949 214273802 /nfs/dbraw/zinc/27/38/02/214273802.db2.gz WCOQRDWGZCNLBQ-LBPRGKRZSA-N -1 3 348.424 2.563 10 10 EFCEHM CCn1cnnc1[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000175625131 239278120 /nfs/dbraw/zinc/27/81/20/239278120.db2.gz MCMMXZRBJQFLGC-ZDUSSCGKSA-N -1 3 346.406 2.725 10 10 EFCEHM Cc1ccc(C)c(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000193137885 240087368 /nfs/dbraw/zinc/08/73/68/240087368.db2.gz DLLHSNCKFDIZKQ-UHFFFAOYSA-N -1 3 326.396 2.677 10 10 EFCEHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000248806887 240295932 /nfs/dbraw/zinc/29/59/32/240295932.db2.gz GYVIZCKLAPHNDM-PJODQICGSA-N -1 3 335.375 2.507 10 10 EFCEHM CCOCc1nc([C@H](C)NCc2cc(Cl)cc(OC)c2[O-])no1 ZINC000290939275 241023694 /nfs/dbraw/zinc/02/36/94/241023694.db2.gz PSHHWBWKZXTIBN-VIFPVBQESA-N -1 3 341.795 2.825 10 10 EFCEHM O=C1NCCCN1C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295517343 241054838 /nfs/dbraw/zinc/05/48/38/241054838.db2.gz ZQBXYHBUPJNNKL-UHFFFAOYSA-N -1 3 341.814 2.564 10 10 EFCEHM Cc1ccc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c([O-])c1O ZINC000095456920 218399128 /nfs/dbraw/zinc/39/91/28/218399128.db2.gz GXWQQSRIOZRXMR-LBPRGKRZSA-N -1 3 331.372 2.890 10 10 EFCEHM Cc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)c([O-])c1O ZINC000097102698 472447248 /nfs/dbraw/zinc/44/72/48/472447248.db2.gz KPRHTBZHTIVYFX-UHFFFAOYSA-N -1 3 346.364 2.527 10 10 EFCEHM O=C(Cc1ccccc1F)Nc1ccc([O-])c(CN2CCOCC2)c1 ZINC000071916748 472620432 /nfs/dbraw/zinc/62/04/32/472620432.db2.gz GILSJONKQRNORH-UHFFFAOYSA-N -1 3 344.386 2.545 10 10 EFCEHM C[C@@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000120624405 472719414 /nfs/dbraw/zinc/71/94/14/472719414.db2.gz ZELVSZBTMMVMHK-GHMZBOCLSA-N -1 3 333.259 2.586 10 10 EFCEHM C[C@H](N[C@H]1CCCn2ncnc21)c1cc(Br)ccc1[O-] ZINC000185662446 473482360 /nfs/dbraw/zinc/48/23/60/473482360.db2.gz FHBYUOXAIAHJIN-CABZTGNLSA-N -1 3 337.221 2.932 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000185762185 473507699 /nfs/dbraw/zinc/50/76/99/473507699.db2.gz PFRGIDNUPNKZSD-PBHICJAKSA-N -1 3 327.380 2.826 10 10 EFCEHM O=C1[C@@H](NCc2c([O-])ccc(Cl)c2F)CCCN1c1cccnc1 ZINC000191587320 473557336 /nfs/dbraw/zinc/55/73/36/473557336.db2.gz BPYOTVUXZIJMJT-AWEZNQCLSA-N -1 3 349.793 2.865 10 10 EFCEHM O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc(O)c1[O-] ZINC000187062280 473810500 /nfs/dbraw/zinc/81/05/00/473810500.db2.gz FMNIMMKFAURSSM-UHFFFAOYSA-N -1 3 342.326 2.864 10 10 EFCEHM [O-]c1c(Cl)cccc1CNCc1cccc(N2CCOCC2)n1 ZINC000274980969 474028345 /nfs/dbraw/zinc/02/83/45/474028345.db2.gz XMQAKVSINLGORC-UHFFFAOYSA-N -1 3 333.819 2.567 10 10 EFCEHM Cc1ccc(C(=O)NC2CCN(c3cccs3)CC2)c([O-])c1O ZINC000182590454 474211920 /nfs/dbraw/zinc/21/19/20/474211920.db2.gz REYCGSMKGMIABS-UHFFFAOYSA-N -1 3 332.425 2.867 10 10 EFCEHM Cn1cc2c(n1)CCC[C@@H]2NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000282900590 474235718 /nfs/dbraw/zinc/23/57/18/474235718.db2.gz FKIVKHXOCHBUHH-LBPRGKRZSA-N -1 3 336.779 2.855 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCN(C(=O)c3ccccn3)CC2)c1[O-] ZINC000271723800 474587246 /nfs/dbraw/zinc/58/72/46/474587246.db2.gz KUHJMEJWVHEUHZ-UHFFFAOYSA-N -1 3 345.830 2.707 10 10 EFCEHM C[C@H](NCc1cn(C)nc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273514738 474938742 /nfs/dbraw/zinc/93/87/42/474938742.db2.gz SHPBFQYDSFOHNG-QMMMGPOBSA-N -1 3 344.293 2.904 10 10 EFCEHM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cccc(Cl)c1[O-] ZINC000373580231 476416631 /nfs/dbraw/zinc/41/66/31/476416631.db2.gz BVAVBGCADCMKDM-OLZOCXBDSA-N -1 3 327.808 2.588 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000364661045 476539358 /nfs/dbraw/zinc/53/93/58/476539358.db2.gz OZCWZTSMGSTEIQ-UHFFFAOYSA-N -1 3 326.327 2.917 10 10 EFCEHM Cc1noc(C2CCC(NC(=O)c3ccc(C)c(O)c3[O-])CC2)n1 ZINC000371581090 477395590 /nfs/dbraw/zinc/39/55/90/477395590.db2.gz FSOHGMZUZCTAEC-UHFFFAOYSA-N -1 3 331.372 2.554 10 10 EFCEHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)c([O-])c1O ZINC000371677218 477438162 /nfs/dbraw/zinc/43/81/62/477438162.db2.gz RTQGGMXDYBCADO-HOCLYGCPSA-N -1 3 327.380 2.914 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000367440006 477511534 /nfs/dbraw/zinc/51/15/34/477511534.db2.gz YXWKDIXNYTXYIG-OAHLLOKOSA-N -1 3 326.780 2.956 10 10 EFCEHM COc1c([O-])c(CNc2cccc3c2OCC[C@H]3O)ccc1[N+](=O)[O-] ZINC000377080343 477633092 /nfs/dbraw/zinc/63/30/92/477633092.db2.gz UKZDGNFLZOJOGZ-CQSZACIVSA-N -1 3 346.339 2.737 10 10 EFCEHM CCn1ncc(CN[C@H](C)c2cc(Br)ccc2[O-])n1 ZINC000527923592 478573413 /nfs/dbraw/zinc/57/34/13/478573413.db2.gz LTORVJDUPZKCCO-SECBINFHSA-N -1 3 325.210 2.617 10 10 EFCEHM Cc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000529676713 479245560 /nfs/dbraw/zinc/24/55/60/479245560.db2.gz SZEZKVAURFRPMG-KGLIPLIRSA-N -1 3 329.849 2.506 10 10 EFCEHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(F)cc(C(C)=O)c3[O-])[C@@H]2C1 ZINC000246863262 536699430 /nfs/dbraw/zinc/69/94/30/536699430.db2.gz QUCICMNQVOKIJG-OIISXLGYSA-N -1 3 337.391 2.502 10 10 EFCEHM COc1ccccc1N1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000192993433 537062357 /nfs/dbraw/zinc/06/23/57/537062357.db2.gz NDEISJIFLWACJD-UHFFFAOYSA-N -1 3 342.395 2.505 10 10 EFCEHM O=C([O-])[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 ZINC000756337617 575719910 /nfs/dbraw/zinc/71/99/10/575719910.db2.gz HZPBAAJJUUGFJV-GOSISDBHSA-N -1 3 344.386 2.578 10 10 EFCEHM C[C@H](NCc1ccnn1C)c1cc(Br)c(F)cc1[O-] ZINC000756400303 575731200 /nfs/dbraw/zinc/73/12/00/575731200.db2.gz JLOTVJHKFSRENK-QMMMGPOBSA-N -1 3 328.185 2.878 10 10 EFCEHM C[C@@H](NC[C@H](O)C(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756448778 575741541 /nfs/dbraw/zinc/74/15/41/575741541.db2.gz FYDVGUNTEJWHEB-FWOIEVBISA-N -1 3 346.118 2.868 10 10 EFCEHM C[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cc(F)ccc1[O-] ZINC000756866675 575794723 /nfs/dbraw/zinc/79/47/23/575794723.db2.gz AJAYQDOIPHFWSW-LBPRGKRZSA-N -1 3 346.406 2.960 10 10 EFCEHM CCOc1ccc(CN2CCN(C(=O)CC(C)(C)C)CC2)c([O-])c1 ZINC000768252805 577263248 /nfs/dbraw/zinc/26/32/48/577263248.db2.gz QNVXINGCEJAKSM-UHFFFAOYSA-N -1 3 334.460 2.871 10 10 EFCEHM COc1cccc([O-])c1CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000769328976 577352674 /nfs/dbraw/zinc/35/26/74/577352674.db2.gz IMYCGTQLHGKYJV-INIZCTEOSA-N -1 3 326.396 2.638 10 10 EFCEHM COc1cccc([C@H]2CN(Cc3c([O-])cccc3OC)CCO2)c1 ZINC000769332349 577352869 /nfs/dbraw/zinc/35/28/69/577352869.db2.gz MNBSSEYTDBPKSU-LJQANCHMSA-N -1 3 329.396 2.983 10 10 EFCEHM COc1cccc([O-])c1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000769414412 577360842 /nfs/dbraw/zinc/36/08/42/577360842.db2.gz USEUNULFHCPURZ-MRXNPFEDSA-N -1 3 344.386 2.777 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]3COCC[C@H]32)c1[O-] ZINC000770285316 577410073 /nfs/dbraw/zinc/41/00/73/577410073.db2.gz FRDMFZGEPRQJQO-ZWNOBZJWSA-N -1 3 326.780 2.955 10 10 EFCEHM O=C(c1cc([O-])cs1)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000771418024 581210019 /nfs/dbraw/zinc/21/00/19/581210019.db2.gz MWALDUBHNXOMNW-CQSZACIVSA-N -1 3 348.468 2.709 10 10 EFCEHM COc1ccc2c(c1)CCN2Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774814516 581501486 /nfs/dbraw/zinc/50/14/86/581501486.db2.gz LUIVQGDDVRLKAJ-UHFFFAOYSA-N -1 3 330.340 2.880 10 10 EFCEHM C[C@@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850500001 1250510563 /nfs/dbraw/zinc/51/05/63/1250510563.db2.gz BVQJXJJIZFXFAH-IAQYHMDHSA-N -1 3 341.367 2.539 10 10 EFCEHM CN1Cc2ccccc2[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921663939 1259567589 /nfs/dbraw/zinc/56/75/89/1259567589.db2.gz YWNWZKCAQVTBLC-INIZCTEOSA-N -1 3 329.375 2.517 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000921696993 1261169091 /nfs/dbraw/zinc/16/90/91/1261169091.db2.gz FDNAZEPWOSLMEC-KWCYVHTRSA-N -1 3 342.461 2.710 10 10 EFCEHM CC(C)(C)c1ccc(CNC(=O)NCc2c([O-])cccc2F)c(=O)[nH]1 ZINC000923509186 1261809839 /nfs/dbraw/zinc/80/98/39/1261809839.db2.gz OUOZGXCDXJGWBH-UHFFFAOYSA-N -1 3 347.390 2.929 10 10 EFCEHM CCCN1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715739804 1263905392 /nfs/dbraw/zinc/90/53/92/1263905392.db2.gz ZKSLAJQVUPLHBZ-UHFFFAOYSA-N -1 3 331.229 2.821 10 10 EFCEHM CC(C)(O)c1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC000922038850 1264199959 /nfs/dbraw/zinc/19/99/59/1264199959.db2.gz SSROJQCCBQMGPY-UHFFFAOYSA-N -1 3 332.375 2.758 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCc2cc(O)ccc2C1 ZINC000922213596 1264988074 /nfs/dbraw/zinc/98/80/74/1264988074.db2.gz YSMHWIAASJFMBD-ZDUSSCGKSA-N -1 3 330.359 2.594 10 10 EFCEHM Nc1cc(Br)ccc1C(=O)NCc1c([O-])cccc1F ZINC001156177792 1272214195 /nfs/dbraw/zinc/21/41/95/1272214195.db2.gz ODCRACZBWFPGFJ-UHFFFAOYSA-N -1 3 339.164 2.806 10 10 EFCEHM CN(C)c1ccc(S(=O)(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000788492107 1276198046 /nfs/dbraw/zinc/19/80/46/1276198046.db2.gz JCNLUBNECMYMLK-UHFFFAOYSA-N -1 3 326.805 2.912 10 10 EFCEHM CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790802103 1277783238 /nfs/dbraw/zinc/78/32/38/1277783238.db2.gz DIEAEUOGDFTXFL-UHFFFAOYSA-N -1 3 343.379 2.983 10 10 EFCEHM CC1(C)CN(Cc2cc(Br)ccc2[O-])[C@@H]2COC[C@H]2O1 ZINC000846118057 1280024417 /nfs/dbraw/zinc/02/44/17/1280024417.db2.gz JVCULRNKVSOSCA-TZMCWYRMSA-N -1 3 342.233 2.533 10 10 EFCEHM C[C@H](O)[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OCc1ccccc1 ZINC000816626353 1288215198 /nfs/dbraw/zinc/21/51/98/1288215198.db2.gz FZOPTXVUEUKQKV-SJCJKPOMSA-N -1 3 349.814 2.628 10 10 EFCEHM O=Cc1cn(CC(=O)NCc2c([O-])cccc2F)c2ccccc12 ZINC001178413036 1288780442 /nfs/dbraw/zinc/78/04/42/1288780442.db2.gz LDBWDWLKEPXAGH-UHFFFAOYSA-N -1 3 326.327 2.615 10 10 EFCEHM COc1cnccc1[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775096419 1291117044 /nfs/dbraw/zinc/11/70/44/1291117044.db2.gz BGKSLZUHDOOVFR-JTQLQIEISA-N -1 3 333.344 2.563 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC=C(c3cnn(C)c3)C2)c1[O-] ZINC000878906505 1291860108 /nfs/dbraw/zinc/86/01/08/1291860108.db2.gz XDUULIIURFHJBY-UHFFFAOYSA-N -1 3 329.375 2.757 10 10 EFCEHM CC1(C)CN(Cc2ccc(Br)cc2[O-])[C@@H]2COC[C@H]2O1 ZINC000826142832 1292370526 /nfs/dbraw/zinc/37/05/26/1292370526.db2.gz MIPRZWYWHBENLH-TZMCWYRMSA-N -1 3 342.233 2.533 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1[O-] ZINC000796303700 1292819601 /nfs/dbraw/zinc/81/96/01/1292819601.db2.gz CSFPPNKRSWLFOG-SDBXPKJASA-N -1 3 335.297 2.886 10 10 EFCEHM O=C(CCc1ccc2c(c1)OCCO2)NCc1c([O-])cccc1F ZINC000928709696 1297126341 /nfs/dbraw/zinc/12/63/41/1297126341.db2.gz LHOCMYHKQCWVII-UHFFFAOYSA-N -1 3 331.343 2.552 10 10 EFCEHM C[C@H](C(=O)NCc1c([O-])cccc1F)n1ccc(C(F)(F)F)n1 ZINC000928710209 1297126605 /nfs/dbraw/zinc/12/66/05/1297126605.db2.gz PWEFLQVJISUEFG-MRVPVSSYSA-N -1 3 331.269 2.624 10 10 EFCEHM O=C(CCCc1ccc2c(c1)CC(=O)N2)NCc1c([O-])cccc1F ZINC000928710401 1297126658 /nfs/dbraw/zinc/12/66/58/1297126658.db2.gz CXKVSCUPELLERZ-UHFFFAOYSA-N -1 3 342.370 2.665 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCO[C@@H](C)C1 ZINC000779012933 1297742724 /nfs/dbraw/zinc/74/27/24/1297742724.db2.gz KUXIYSMCIMJIDD-STQMWFEESA-N -1 3 341.835 2.836 10 10 EFCEHM COC(=O)CN(Cc1nc(C)oc1C)Cc1cc(Cl)ccc1[O-] ZINC000851841152 1299429674 /nfs/dbraw/zinc/42/96/74/1299429674.db2.gz NLZJNBCEXQAKOB-UHFFFAOYSA-N -1 3 338.791 2.826 10 10 EFCEHM O=C([O-])[C@]12COC[C@H]1C[N@H+](Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC000854240706 1300483821 /nfs/dbraw/zinc/48/38/21/1300483821.db2.gz DJUZNBAQQIUEKT-YLJYHZDGSA-N -1 3 339.391 2.592 10 10 EFCEHM O=C([O-])[C@]12COC[C@H]1C[N@@H+](Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC000854240706 1300483825 /nfs/dbraw/zinc/48/38/25/1300483825.db2.gz DJUZNBAQQIUEKT-YLJYHZDGSA-N -1 3 339.391 2.592 10 10 EFCEHM C[C@@](CO)(NCc1cc(Cl)c(F)cc1[O-])c1cccc(O)c1 ZINC000862432801 1302382146 /nfs/dbraw/zinc/38/21/46/1302382146.db2.gz NSTYXFXGDVPUKZ-INIZCTEOSA-N -1 3 325.767 2.888 10 10 EFCEHM COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1cc(Cl)ccc1[O-] ZINC000862474498 1302392831 /nfs/dbraw/zinc/39/28/31/1302392831.db2.gz MNEDMEJEJIBLQB-MRXNPFEDSA-N -1 3 349.814 2.928 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN=c2nc[nH]n2C(C)(C)C)c1 ZINC000800815117 1308477386 /nfs/dbraw/zinc/47/73/86/1308477386.db2.gz MDOCICWNQVHXFQ-UHFFFAOYSA-N -1 3 339.237 2.844 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](Nc3ncccn3)C2)c1[O-] ZINC000903025831 1312291048 /nfs/dbraw/zinc/29/10/48/1312291048.db2.gz FNZPDPCKYGUION-CQSZACIVSA-N -1 3 346.818 2.725 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](c2ncccn2)C2CC2)c1 ZINC000903327719 1312573254 /nfs/dbraw/zinc/57/32/54/1312573254.db2.gz XWESYVIXLWKTRV-BZNIZROVSA-N -1 3 327.384 2.771 10 10 EFCEHM [O-]c1cccc(F)c1CNc1cc(C(F)(F)F)nc2ncnn21 ZINC001307214732 1324751304 /nfs/dbraw/zinc/75/13/04/1324751304.db2.gz QXDNAZYLUASKLQ-UHFFFAOYSA-N -1 3 327.241 2.600 10 10 EFCEHM Cc1c(CNC(=O)NCc2c([O-])cccc2F)cccc1[N+](=O)[O-] ZINC001312493306 1324987310 /nfs/dbraw/zinc/98/73/10/1324987310.db2.gz VYGMZPBSAGGZJZ-UHFFFAOYSA-N -1 3 333.319 2.747 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CCC(O)CC1 ZINC001329877829 1330745372 /nfs/dbraw/zinc/74/53/72/1330745372.db2.gz WMIKAVUQEBSPRE-UHFFFAOYSA-N -1 3 341.835 2.572 10 10 EFCEHM O=C(NCc1cccc(Cl)c1[O-])c1ccn(-c2ccncc2)n1 ZINC001457038593 1394935572 /nfs/dbraw/zinc/93/55/72/1394935572.db2.gz XZEBDYCBEKBVAK-UHFFFAOYSA-N -1 3 328.759 2.556 10 10 EFCEHM COc1ccc(OC(F)F)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001464221684 1396557877 /nfs/dbraw/zinc/55/78/77/1396557877.db2.gz HPTYKIGXMSIDLE-UHFFFAOYSA-N -1 3 325.267 2.960 10 10 EFCEHM CCS(=O)(=O)Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC001469071789 1397000041 /nfs/dbraw/zinc/00/00/41/1397000041.db2.gz APYQKZFCIXPIOW-UHFFFAOYSA-N -1 3 349.408 2.593 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001479304107 1397673710 /nfs/dbraw/zinc/67/37/10/1397673710.db2.gz BDPZNTBQULZDMM-XJKSGUPXSA-N -1 3 334.322 2.802 10 10 EFCEHM COc1c(F)cc(NC(=O)c2ccc(C)c(O)c2[O-])c(OC)c1F ZINC001556674223 1415081114 /nfs/dbraw/zinc/08/11/14/1415081114.db2.gz ASRXQPXCPAQMMS-UHFFFAOYSA-N -1 3 339.294 2.954 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)c([O-])c1O ZINC001557735860 1415140760 /nfs/dbraw/zinc/14/07/60/1415140760.db2.gz OKKDAAQWURZWIT-AWEZNQCLSA-N -1 3 326.352 2.610 10 10 EFCEHM O=C(CCNc1ccccc1[N+](=O)[O-])NCc1c([O-])cccc1F ZINC001558454795 1415180852 /nfs/dbraw/zinc/18/08/52/1415180852.db2.gz MPGFESRIXBXUMT-UHFFFAOYSA-N -1 3 333.319 2.558 10 10 EFCEHM Cc1cc([O-])c(CN2CCN(c3nccnc3C)CC2)c(Cl)c1 ZINC000840942470 717552680 /nfs/dbraw/zinc/55/26/80/717552680.db2.gz RFGFLHNQYNPPAB-UHFFFAOYSA-N -1 3 332.835 2.775 10 10 EFCEHM CC(C)(C)OC(=O)NC1(CC(=O)NCc2c([O-])cccc2F)CC1 ZINC000928713068 724590953 /nfs/dbraw/zinc/59/09/53/724590953.db2.gz ZSKYHHXTABZTIK-UHFFFAOYSA-N -1 3 338.379 2.595 10 10 EFCEHM NC(=O)C[C@H]1CCCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000893978486 720194235 /nfs/dbraw/zinc/19/42/35/720194235.db2.gz UETQVFQGROYSBE-LLVKDONJSA-N -1 3 345.212 2.524 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCOc2ccccc21 ZINC000917583878 728760276 /nfs/dbraw/zinc/76/02/76/728760276.db2.gz ZBCQWCBCNSGLAV-LBPRGKRZSA-N -1 3 330.359 2.897 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836831 724343768 /nfs/dbraw/zinc/34/37/68/724343768.db2.gz PKQAWRKHPQQJAR-GFCCVEGCSA-N -1 3 327.705 2.931 10 10 EFCEHM O=C(NCc1ccc(N2CCCC2)nc1)NCc1c([O-])cccc1F ZINC000914032281 725988511 /nfs/dbraw/zinc/98/85/11/725988511.db2.gz VRUUJBUTXQTYST-UHFFFAOYSA-N -1 3 344.390 2.526 10 10 EFCEHM COCCOc1cccc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC000914111736 726051310 /nfs/dbraw/zinc/05/13/10/726051310.db2.gz ODJOZRIZCTURCC-UHFFFAOYSA-N -1 3 348.374 2.556 10 10 EFCEHM COc1ccc(CCNC(=O)NCc2c([O-])cccc2F)c(OC)c1 ZINC000915323184 726943217 /nfs/dbraw/zinc/94/32/17/726943217.db2.gz XHOKUPCTAGXKNF-UHFFFAOYSA-N -1 3 348.374 2.590 10 10 EFCEHM COc1c(C)cnc(CNC(=O)NCc2c([O-])cccc2F)c1C ZINC000915488392 727007876 /nfs/dbraw/zinc/00/78/76/727007876.db2.gz UHVBZZZNPRUXTP-UHFFFAOYSA-N -1 3 333.363 2.551 10 10 EFCEHM CCc1ccc([C@@H](COC)NC(=O)NCc2c([O-])cccc2F)o1 ZINC000920339546 729174969 /nfs/dbraw/zinc/17/49/69/729174969.db2.gz JGAGMYSNAIAGJU-CQSZACIVSA-N -1 3 336.363 2.874 10 10 EFCEHM COc1ccc(O[C@@H](C)CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC000920702255 729221601 /nfs/dbraw/zinc/22/16/01/729221601.db2.gz JHHFGZRMQYLAIE-LBPRGKRZSA-N -1 3 348.374 2.807 10 10 EFCEHM O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1c([O-])cccc1F ZINC000921450850 729460399 /nfs/dbraw/zinc/46/03/99/729460399.db2.gz GJODQQIOFSYSEG-SNVBAGLBSA-N -1 3 337.363 2.776 10 10 EFCEHM C[C@@H](COC1CCCC1)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452791 729460713 /nfs/dbraw/zinc/46/07/13/729460713.db2.gz ZPOZQRWHPYRVDD-LBPRGKRZSA-N -1 3 345.436 2.546 10 10 EFCEHM O=S(=O)(NCc1c([O-])cccc1F)[C@H]1CCc2ccccc2C1 ZINC000921452489 729460855 /nfs/dbraw/zinc/46/08/55/729460855.db2.gz QPOCUCOQEAFNOT-AWEZNQCLSA-N -1 3 335.400 2.508 10 10 EFCEHM Cc1noc(Cc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)n1 ZINC001648071050 1089937730 /nfs/dbraw/zinc/93/77/30/1089937730.db2.gz JGOBGPZENXVYAG-UHFFFAOYSA-N -1 3 339.351 2.941 10 10 EFCEHM O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1cccc(O)c1[O-] ZINC001597866888 1094634095 /nfs/dbraw/zinc/63/40/95/1094634095.db2.gz ZPAVUTXFXNQWOZ-CYBMUJFWSA-N -1 3 327.258 2.946 10 10 EFCEHM CSc1nc(C(=O)NCc2c([O-])cccc2F)c2ccccn21 ZINC001611667335 1099029488 /nfs/dbraw/zinc/02/94/88/1099029488.db2.gz YNPQGCRDMFLNHF-UHFFFAOYSA-N -1 3 331.372 2.831 10 10 EFCEHM O=C([N-]Cc1ccc(O)c(O)c1)C(F)(F)c1cc(F)cc(F)c1 ZINC001631439021 1100398930 /nfs/dbraw/zinc/39/89/30/1100398930.db2.gz SHAHEAGYIAQFIX-UHFFFAOYSA-N -1 3 329.249 2.784 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001635360509 1100656621 /nfs/dbraw/zinc/65/66/21/1100656621.db2.gz NMNIEDWTOIXBEV-UHFFFAOYSA-N -1 3 329.306 2.991 10 10 EFCEHM O=C(CCCn1c(=O)oc2ccccc21)NCc1c([O-])cccc1F ZINC001635360151 1100656792 /nfs/dbraw/zinc/65/67/92/1100656792.db2.gz BERJBMGDJYOSPB-UHFFFAOYSA-N -1 3 344.342 2.536 10 10 EFCEHM Cc1ccn(-c2ccc(C(=O)NCc3c([O-])cccc3F)cc2)n1 ZINC001635360656 1100656831 /nfs/dbraw/zinc/65/68/31/1100656831.db2.gz PFASDGUJAJFIPE-UHFFFAOYSA-N -1 3 325.343 2.955 10 10 EFCEHM O=C(CCc1cnn(-c2ccccc2)c1)NCc1c([O-])cccc1F ZINC001638858382 1100892040 /nfs/dbraw/zinc/89/20/40/1100892040.db2.gz SGIYLRFCGZJMOS-UHFFFAOYSA-N -1 3 339.370 2.966 10 10 EFCEHM Cc1cnn(-c2ccc(C(=O)NCc3c([O-])cccc3F)cc2)c1 ZINC001638863652 1100892623 /nfs/dbraw/zinc/89/26/23/1100892623.db2.gz OMLKMAMVUXZIJN-UHFFFAOYSA-N -1 3 325.343 2.955 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccn(-c2ccccc2F)n1 ZINC001638858367 1100893179 /nfs/dbraw/zinc/89/31/79/1100893179.db2.gz RQTGERCMWWUNMW-UHFFFAOYSA-N -1 3 329.306 2.786 10 10 EFCEHM CN=[S@](C)(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC001640687901 1101071570 /nfs/dbraw/zinc/07/15/70/1101071570.db2.gz ICFIZEGTXJDYBB-HSZRJFAPSA-N -1 3 334.397 2.745 10 10 EFCEHM [O-]c1cccc(F)c1CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC001643209724 1101280441 /nfs/dbraw/zinc/28/04/41/1101280441.db2.gz CZFVAANKXXGPRC-UHFFFAOYSA-N -1 3 327.241 2.600 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC(c3ncccn3)CC2)c1[O-] ZINC001660242286 1102651401 /nfs/dbraw/zinc/65/14/01/1102651401.db2.gz XQCMOIJNWATRSY-UHFFFAOYSA-N -1 3 329.375 2.904 10 10 EFCEHM Cn1ncc(Br)c1CNCc1cccc(Cl)c1[O-] ZINC000693500702 1102669263 /nfs/dbraw/zinc/66/92/63/1102669263.db2.gz LAPUATKWHKUBJY-UHFFFAOYSA-N -1 3 330.613 2.831 10 10 EFCEHM CN(C)c1ccc(CN2Cc3cc(F)ccc3C[C@@H]2C(=O)[O-])cc1 ZINC000008699753 282289503 /nfs/dbraw/zinc/28/95/03/282289503.db2.gz AVDXGLUNHOSIPR-GOSISDBHSA-N -1 3 328.387 2.903 10 10 EFCEHM CN(C)C(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000162605071 239094136 /nfs/dbraw/zinc/09/41/36/239094136.db2.gz XZRMNGRIEQFHFQ-UHFFFAOYSA-N -1 3 331.243 2.999 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCC(C)(C)S(=O)(=O)CC2)c1[O-] ZINC000195200336 240208306 /nfs/dbraw/zinc/20/83/06/240208306.db2.gz KIXXCBBGNJQOSE-UHFFFAOYSA-N -1 3 331.865 2.753 10 10 EFCEHM COc1cc(Cl)cc(CN2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000248852335 240296027 /nfs/dbraw/zinc/29/60/27/240296027.db2.gz BIYCNVYVYRWWBE-TZMCWYRMSA-N -1 3 329.849 2.761 10 10 EFCEHM O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295444501 241052671 /nfs/dbraw/zinc/05/26/71/241052671.db2.gz USNDBEANOFHIRH-GFCCVEGCSA-N -1 3 340.826 2.923 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)c1[O-] ZINC000363886996 242285818 /nfs/dbraw/zinc/28/58/18/242285818.db2.gz ZDUATVSOLVBURQ-MRXNPFEDSA-N -1 3 340.358 2.731 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1[O-] ZINC000363886996 242285825 /nfs/dbraw/zinc/28/58/25/242285825.db2.gz ZDUATVSOLVBURQ-MRXNPFEDSA-N -1 3 340.358 2.731 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](C(N)=O)c3ccccc32)c1[O-] ZINC000366988465 242370438 /nfs/dbraw/zinc/37/04/38/242370438.db2.gz SLBUQBLDNJLHGD-HNNXBMFYSA-N -1 3 342.370 2.713 10 10 EFCEHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1c([O-])ccc(Cl)c1F ZINC000364862529 242310105 /nfs/dbraw/zinc/31/01/05/242310105.db2.gz QWHCCWODZPPZQO-QWRGUYRKSA-N -1 3 345.798 2.727 10 10 EFCEHM Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000019487523 212032481 /nfs/dbraw/zinc/03/24/81/212032481.db2.gz HSASSVAGHIQYTQ-UHFFFAOYSA-N -1 3 327.203 2.832 10 10 EFCEHM Cc1ccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c([O-])c1O ZINC000095456919 218399721 /nfs/dbraw/zinc/39/97/21/218399721.db2.gz GXWQQSRIOZRXMR-GFCCVEGCSA-N -1 3 331.372 2.890 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN(C)[C@@H](C)C[S@](C)=O)c1 ZINC000095940825 473225916 /nfs/dbraw/zinc/22/59/16/473225916.db2.gz SVCYASXJMBMBJR-XTZNXHDOSA-N -1 3 334.279 2.662 10 10 EFCEHM COc1ccc2ccc([O-])c(CN(C)CC(=O)NC(C)(C)C)c2c1 ZINC000008148080 471666845 /nfs/dbraw/zinc/66/68/45/471666845.db2.gz HSYGBRFUZKEWIH-UHFFFAOYSA-N -1 3 330.428 2.901 10 10 EFCEHM COC(=O)c1cc2ccccc2c(CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000014185869 471858564 /nfs/dbraw/zinc/85/85/64/471858564.db2.gz BVFMMYDWYOTABL-STQMWFEESA-N -1 3 329.396 2.941 10 10 EFCEHM Cn1cc([C@@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)cn1 ZINC000128413561 472446759 /nfs/dbraw/zinc/44/67/59/472446759.db2.gz LWGQZQIFMOGFPN-SNVBAGLBSA-N -1 3 336.779 2.677 10 10 EFCEHM CCCOc1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)c([O-])c1 ZINC000119832088 472587086 /nfs/dbraw/zinc/58/70/86/472587086.db2.gz ZNKSACDJZDDBOJ-SFHVURJKSA-N -1 3 340.423 2.593 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccc([O-])c(CN3CCOCC3)c2)cc1F ZINC000071916749 472620521 /nfs/dbraw/zinc/62/05/21/472620521.db2.gz CURYGFYGMRQZKS-UHFFFAOYSA-N -1 3 344.386 2.924 10 10 EFCEHM CCCOc1ccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c([O-])c1 ZINC000092096870 472858446 /nfs/dbraw/zinc/85/84/46/472858446.db2.gz CLEUHROEVKLETG-HHXXYDBFSA-N -1 3 335.444 2.949 10 10 EFCEHM CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1[O-] ZINC000109769432 473119336 /nfs/dbraw/zinc/11/93/36/473119336.db2.gz GBSKMBSBJYLEPX-UHFFFAOYSA-N -1 3 328.416 2.774 10 10 EFCEHM COC(=O)CN(CCc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000111238311 473197807 /nfs/dbraw/zinc/19/78/07/473197807.db2.gz MIBLJEJWEVVBJI-UHFFFAOYSA-N -1 3 334.803 2.658 10 10 EFCEHM COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185774577 473510867 /nfs/dbraw/zinc/51/08/67/473510867.db2.gz FMQQPRCKYINYNV-GXFFZTMASA-N -1 3 336.823 2.969 10 10 EFCEHM COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000185774636 473511059 /nfs/dbraw/zinc/51/10/59/473511059.db2.gz FMQQPRCKYINYNV-MFKMUULPSA-N -1 3 336.823 2.969 10 10 EFCEHM Cc1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C(N)=O)c1[O-] ZINC000179602509 473697924 /nfs/dbraw/zinc/69/79/24/473697924.db2.gz BUIKTOQANBIFEB-INIZCTEOSA-N -1 3 330.815 2.766 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCCN(C3CC3)CC2)c1[O-] ZINC000179729508 473713046 /nfs/dbraw/zinc/71/30/46/473713046.db2.gz NBWVSKOVZHYWMT-UHFFFAOYSA-N -1 3 325.796 2.624 10 10 EFCEHM Cc1cnn(C[C@@H]2CN(Cc3cc(Cl)cc(C)c3[O-])CCO2)c1 ZINC000180130129 473806347 /nfs/dbraw/zinc/80/63/47/473806347.db2.gz DGYUSECYLONMKA-INIZCTEOSA-N -1 3 335.835 2.760 10 10 EFCEHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1N1CCOCC1 ZINC000180230652 473834208 /nfs/dbraw/zinc/83/42/08/473834208.db2.gz RXIYIIJCMYBIGV-NHYWBVRUSA-N -1 3 345.270 2.852 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCCc3nn(C)cc32)c1 ZINC000282493137 474085276 /nfs/dbraw/zinc/08/52/76/474085276.db2.gz RHAYIXXJWTUVIJ-NHYWBVRUSA-N -1 3 329.400 2.641 10 10 EFCEHM CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2[O-])C[C@@H](C)S1(=O)=O ZINC000289675874 474374768 /nfs/dbraw/zinc/37/47/68/474374768.db2.gz DQTARYAARGDFLI-BXUZGUMPSA-N -1 3 331.865 2.752 10 10 EFCEHM COc1cc(Cl)cc(CN2CC[C@@](O)(C(F)(F)F)C2)c1[O-] ZINC000184697892 474588039 /nfs/dbraw/zinc/58/80/39/474588039.db2.gz IEMRZLJELRMQDB-LBPRGKRZSA-N -1 3 325.714 2.553 10 10 EFCEHM CC(=O)N1CCN(Cc2cc(Br)cc(C)c2[O-])[C@@H](C)C1 ZINC000271827006 474595677 /nfs/dbraw/zinc/59/56/77/474595677.db2.gz OBYNDNABBZQZCH-NSHDSACASA-N -1 3 341.249 2.516 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@H](c2cnn(C)c2)C(F)(F)F)c1[O-] ZINC000278246113 474604834 /nfs/dbraw/zinc/60/48/34/474604834.db2.gz UITHAVGHRHVUIB-CQSZACIVSA-N -1 3 345.296 2.861 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCCC[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000278589842 474724378 /nfs/dbraw/zinc/72/43/78/474724378.db2.gz DTRLMKMQPNUXOQ-CQSZACIVSA-N -1 3 331.865 2.753 10 10 EFCEHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000370367984 476775941 /nfs/dbraw/zinc/77/59/41/476775941.db2.gz RIGHXMYKPRAGHU-KBPBESRZSA-N -1 3 327.808 2.506 10 10 EFCEHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)c([O-])c1O ZINC000371677219 477438600 /nfs/dbraw/zinc/43/86/00/477438600.db2.gz RTQGGMXDYBCADO-ZBFHGGJFSA-N -1 3 327.380 2.914 10 10 EFCEHM CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@]2(CCOC2)O1 ZINC000376673129 477455008 /nfs/dbraw/zinc/45/50/08/477455008.db2.gz PTKQJCWAWXDHBX-PBHICJAKSA-N -1 3 341.835 2.824 10 10 EFCEHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000377046396 477616556 /nfs/dbraw/zinc/61/65/56/477616556.db2.gz LZSAUUSGBCQSLS-HNNXBMFYSA-N -1 3 340.423 2.834 10 10 EFCEHM Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c([O-])c1O ZINC000368086305 477784355 /nfs/dbraw/zinc/78/43/55/477784355.db2.gz PCFUHTDWWWOJIL-HOTGVXAUSA-N -1 3 344.386 2.721 10 10 EFCEHM CCn1ncc(CN[C@@H](C)c2cc(Br)ccc2[O-])n1 ZINC000527923593 478572946 /nfs/dbraw/zinc/57/29/46/478572946.db2.gz LTORVJDUPZKCCO-VIFPVBQESA-N -1 3 325.210 2.617 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)c1[O-] ZINC000528790922 478935464 /nfs/dbraw/zinc/93/54/64/478935464.db2.gz NNFLKQSODBOZSR-OAHLLOKOSA-N -1 3 331.347 2.567 10 10 EFCEHM COc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[O-] ZINC000529673863 479243441 /nfs/dbraw/zinc/24/34/41/479243441.db2.gz FOUKYNXJYKPRAK-RRMDADRESA-N -1 3 329.849 2.540 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](n3cncn3)C2)c1[O-] ZINC000177122909 527206144 /nfs/dbraw/zinc/20/61/44/527206144.db2.gz WHKIZVVDPJZFAM-CQSZACIVSA-N -1 3 334.807 2.677 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3nccs3)C2)c1[O-] ZINC000175625377 527210110 /nfs/dbraw/zinc/21/01/10/527210110.db2.gz QIRMPRPHPCCOMQ-CQSZACIVSA-N -1 3 336.388 2.764 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000175812140 527210493 /nfs/dbraw/zinc/21/04/93/527210493.db2.gz VOZPMBUXTXDMIQ-INIZCTEOSA-N -1 3 331.391 2.903 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC[C@H](Cc3noc(C)n3)C2)c1[O-] ZINC000175622611 527211009 /nfs/dbraw/zinc/21/10/09/527211009.db2.gz DGLLBQJJYUNDAB-CYBMUJFWSA-N -1 3 347.390 2.880 10 10 EFCEHM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000248806880 536553285 /nfs/dbraw/zinc/55/32/85/536553285.db2.gz GYVIZCKLAPHNDM-PEYYIBSZSA-N -1 3 335.375 2.507 10 10 EFCEHM CO[C@@H]1CC[C@@H]2OCCN(Cc3c([O-])ccc4ccncc43)[C@H]2C1 ZINC000754797327 575492353 /nfs/dbraw/zinc/49/23/53/575492353.db2.gz NTIDTXIXDRCFAG-LJHODMEESA-N -1 3 328.412 2.709 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CO)c2sccc2C)c1 ZINC000756736604 575782350 /nfs/dbraw/zinc/78/23/50/575782350.db2.gz ORVBDIUPNCGANH-BXUZGUMPSA-N -1 3 335.425 2.933 10 10 EFCEHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000762921088 576347163 /nfs/dbraw/zinc/34/71/63/576347163.db2.gz PEQAOJNSIXGFRE-ZYHUDNBSSA-N -1 3 340.445 2.829 10 10 EFCEHM C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768448318 577274663 /nfs/dbraw/zinc/27/46/63/577274663.db2.gz BTSXAESHNBIJMP-YHBQJITHSA-N -1 3 341.407 2.780 10 10 EFCEHM O=C(c1ccc(F)c(F)c1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000770509533 577422166 /nfs/dbraw/zinc/42/21/66/577422166.db2.gz NMDWYLKBUOWPSE-UHFFFAOYSA-N -1 3 332.350 2.628 10 10 EFCEHM COc1c([O-])c(CN[C@H](C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000774963787 581505272 /nfs/dbraw/zinc/50/52/72/581505272.db2.gz KKGHVLCAJKWTQR-SNVBAGLBSA-N -1 3 346.339 2.889 10 10 EFCEHM [O-]c1c(O)cccc1-c1nc(-c2ccncc2Br)no1 ZINC000395148665 1249476142 /nfs/dbraw/zinc/47/61/42/1249476142.db2.gz MPEHBPUTRFZTFD-UHFFFAOYSA-N -1 3 334.129 2.972 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000921641141 1257965379 /nfs/dbraw/zinc/96/53/79/1257965379.db2.gz VTFCIVBZIRDYFS-XZJROXQQSA-N -1 3 334.391 2.678 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000921641133 1257965421 /nfs/dbraw/zinc/96/54/21/1257965421.db2.gz VTFCIVBZIRDYFS-IUIKQTSFSA-N -1 3 334.391 2.678 10 10 EFCEHM COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923310178 1261459443 /nfs/dbraw/zinc/45/94/43/1261459443.db2.gz YMUMNHQVMXYUBM-SWLSCSKDSA-N -1 3 330.359 2.895 10 10 EFCEHM COCC[C@@H](Cc1ccco1)NC(=O)NCc1c([O-])cccc1F ZINC000921910144 1263333104 /nfs/dbraw/zinc/33/31/04/1263333104.db2.gz GIINDUQMQZYBPJ-LBPRGKRZSA-N -1 3 336.363 2.571 10 10 EFCEHM CN1CCN(Cc2cc(Br)cc(F)c2[O-])CC1(C)C ZINC000715739810 1263906823 /nfs/dbraw/zinc/90/68/23/1263906823.db2.gz ZMFILVAIMBUXRG-UHFFFAOYSA-N -1 3 331.229 2.820 10 10 EFCEHM CO[C@@](C)(CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000922707973 1266628439 /nfs/dbraw/zinc/62/84/39/1266628439.db2.gz GVQWHNHNCRDBSY-SFHVURJKSA-N -1 3 332.375 2.892 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000922760704 1266748433 /nfs/dbraw/zinc/74/84/33/1266748433.db2.gz ZLKNSDHXLGYOSU-SJKOYZFVSA-N -1 3 345.374 2.646 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124754 1278419506 /nfs/dbraw/zinc/41/95/06/1278419506.db2.gz XJYJZLMNMPKLLG-JMCQJSRRSA-N -1 3 327.705 2.930 10 10 EFCEHM CCCN(CCC)c1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819163516 1276649555 /nfs/dbraw/zinc/64/95/55/1276649555.db2.gz KKMPCUJEJPTHMY-GOSISDBHSA-N -1 3 344.459 2.962 10 10 EFCEHM C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@H]1C(=O)OC(C)(C)C ZINC000819680689 1276875302 /nfs/dbraw/zinc/87/53/02/1276875302.db2.gz GILHWJUVYNPZPG-BXUZGUMPSA-N -1 3 335.400 2.680 10 10 EFCEHM O=C(NCCc1ccccc1Br)c1cccc(O)c1[O-] ZINC000790221683 1277363145 /nfs/dbraw/zinc/36/31/45/1277363145.db2.gz WYJNNLWGHYQSKV-UHFFFAOYSA-N -1 3 336.185 2.833 10 10 EFCEHM Nc1nccc([C@@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000809663062 1282391378 /nfs/dbraw/zinc/39/13/78/1282391378.db2.gz JTFJNSMFQDVYMJ-SNVBAGLBSA-N -1 3 336.798 2.937 10 10 EFCEHM COC(=O)c1occc1CNCc1cc(Br)ccc1[O-] ZINC000809712792 1282422646 /nfs/dbraw/zinc/42/26/46/1282422646.db2.gz UUTOMRLDVOKKQB-UHFFFAOYSA-N -1 3 340.173 2.824 10 10 EFCEHM CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(F)ccc1[O-] ZINC000822525442 1289008830 /nfs/dbraw/zinc/00/88/30/1289008830.db2.gz GTSMLKGLRUPYTP-QGZVFWFLSA-N -1 3 328.387 2.594 10 10 EFCEHM O=C1OCCN1C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000824451402 1289654973 /nfs/dbraw/zinc/65/49/73/1289654973.db2.gz VITQBXSUMWKPOC-JTQLQIEISA-N -1 3 345.226 2.973 10 10 EFCEHM CNC(=O)C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000795849056 1291553902 /nfs/dbraw/zinc/55/39/02/1291553902.db2.gz DRZWUFXZTDZKPC-LRDDRELGSA-N -1 3 343.383 2.828 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](CC(C)C)C(N)=O)c1[O-] ZINC000880591118 1292551895 /nfs/dbraw/zinc/55/18/95/1292551895.db2.gz YGNZULGIXFJPJS-AWEZNQCLSA-N -1 3 326.824 2.580 10 10 EFCEHM [O-]c1c(F)cc(Cl)cc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000775679240 1294103683 /nfs/dbraw/zinc/10/36/83/1294103683.db2.gz RUTBONSIXWTCCS-HNNXBMFYSA-N -1 3 342.842 2.871 10 10 EFCEHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000776012387 1295679978 /nfs/dbraw/zinc/67/99/78/1295679978.db2.gz GGVFVARSZYFOAQ-QWHCGFSZSA-N -1 3 345.798 2.727 10 10 EFCEHM C[C@@H](C(=O)NCc1c([O-])cccc1F)n1ccc(C(F)(F)F)n1 ZINC000928710210 1297125996 /nfs/dbraw/zinc/12/59/96/1297125996.db2.gz PWEFLQVJISUEFG-QMMMGPOBSA-N -1 3 331.269 2.624 10 10 EFCEHM CN(C)Cc1ccnc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000932168704 1297404727 /nfs/dbraw/zinc/40/47/27/1297404727.db2.gz HUQJBFWTCNWPCN-UHFFFAOYSA-N -1 3 334.807 2.824 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1[O-] ZINC000852780548 1299882783 /nfs/dbraw/zinc/88/27/83/1299882783.db2.gz OBTSZBGRYZVVJW-JDNHERCYSA-N -1 3 331.334 2.978 10 10 EFCEHM Cc1cc(Br)c([O-])c(CNc2ncc3c(n2)COC3)c1 ZINC000865294470 1303210579 /nfs/dbraw/zinc/21/05/79/1303210579.db2.gz KISRFURPGJVFTQ-UHFFFAOYSA-N -1 3 336.189 2.895 10 10 EFCEHM Cc1cc(NCc2c([O-])cccc2F)n2nc(C(F)(F)F)nc2n1 ZINC001164185360 1312464083 /nfs/dbraw/zinc/46/40/83/1312464083.db2.gz DHRSLBTVPRWCRV-UHFFFAOYSA-N -1 3 341.268 2.908 10 10 EFCEHM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001292351149 1322056902 /nfs/dbraw/zinc/05/69/02/1322056902.db2.gz JSONFFLSOOBGKC-UHFFFAOYSA-N -1 3 340.379 2.895 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC001293710026 1322331452 /nfs/dbraw/zinc/33/14/52/1322331452.db2.gz PQILDAWETFZSPV-GFCCVEGCSA-N -1 3 329.356 2.726 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001301121517 1324524504 /nfs/dbraw/zinc/52/45/04/1324524504.db2.gz GPPMJIKYEVQRRN-UHFFFAOYSA-N -1 3 328.324 2.989 10 10 EFCEHM COc1ccccc1-c1cc(CNC(=O)c2cccc(O)c2[O-])on1 ZINC001301446505 1324543496 /nfs/dbraw/zinc/54/34/96/1324543496.db2.gz ANDAXZDRNJQIOS-UHFFFAOYSA-N -1 3 340.335 2.691 10 10 EFCEHM C[C@H](C(=O)NCc1c([O-])cccc1F)n1ccc2ccccc2c1=O ZINC001303875371 1324623678 /nfs/dbraw/zinc/62/36/78/1324623678.db2.gz GOIDXOYEPAAIOC-GFCCVEGCSA-N -1 3 340.354 2.724 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc(-c2ccccn2)[nH]c1=O ZINC001303877801 1324624267 /nfs/dbraw/zinc/62/42/67/1324624267.db2.gz HXTUOZWBZRMKPU-UHFFFAOYSA-N -1 3 339.326 2.624 10 10 EFCEHM COc1ccc(CCCNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001333475842 1331152383 /nfs/dbraw/zinc/15/23/83/1331152383.db2.gz DRXWITXNBATTPQ-UHFFFAOYSA-N -1 3 332.375 2.972 10 10 EFCEHM Cc1nn(C2CCOCC2)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001347220782 1332725282 /nfs/dbraw/zinc/72/52/82/1332725282.db2.gz DQISOFXWMIFEGN-UHFFFAOYSA-N -1 3 331.372 2.515 10 10 EFCEHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1C(=O)NC(C)C ZINC001464996599 1396638099 /nfs/dbraw/zinc/63/80/99/1396638099.db2.gz QJSCSTTWPKNELO-UHFFFAOYSA-N -1 3 328.368 2.797 10 10 EFCEHM O=C(Nc1ccccc1[C@H](O)c1ccccn1)c1cccc(O)c1[O-] ZINC001467755124 1396892825 /nfs/dbraw/zinc/89/28/25/1396892825.db2.gz PFDYMSHJFQBGPN-KRWDZBQOSA-N -1 3 336.347 2.827 10 10 EFCEHM O=C(NCc1noc2ccc(F)cc21)NCc1c([O-])cccc1F ZINC001471126246 1397143792 /nfs/dbraw/zinc/14/37/92/1397143792.db2.gz FWPOGOJUTODCPU-UHFFFAOYSA-N -1 3 333.294 2.811 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cccc(Br)n1 ZINC001471975758 1397229611 /nfs/dbraw/zinc/22/96/11/1397229611.db2.gz GDQDIFNITISLKN-UHFFFAOYSA-N -1 3 325.137 2.619 10 10 EFCEHM CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1c([O-])cccc1F ZINC001471975674 1397229697 /nfs/dbraw/zinc/22/96/97/1397229697.db2.gz CMCQTGLCRPPEPF-UHFFFAOYSA-N -1 3 334.303 2.768 10 10 EFCEHM CC(=O)N(C)c1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001478990717 1397599639 /nfs/dbraw/zinc/59/96/39/1397599639.db2.gz LTRMXQMTQPIBSA-UHFFFAOYSA-N -1 3 345.374 2.513 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1c2ccccc2OC[C@H]1F ZINC001479304105 1397674045 /nfs/dbraw/zinc/67/40/45/1397674045.db2.gz BDPZNTBQULZDMM-CJNGLKHVSA-N -1 3 334.322 2.802 10 10 EFCEHM Cc1ccc(C2=NO[C@@H](C(=O)NCc3c([O-])cccc3F)C2)cc1 ZINC001558457904 1415181368 /nfs/dbraw/zinc/18/13/68/1415181368.db2.gz YVIRXGSGGSWDSI-QGZVFWFLSA-N -1 3 328.343 2.649 10 10 EFCEHM COC(=O)Cc1ccc(NCc2c([O-])cccc2F)c([N+](=O)[O-])c1 ZINC001559284578 1415236816 /nfs/dbraw/zinc/23/68/16/1415236816.db2.gz JHFWRGQDSXRDDZ-UHFFFAOYSA-N -1 3 334.303 2.767 10 10 EFCEHM O=C(CCOc1ccccc1[N+](=O)[O-])NCc1c([O-])cccc1F ZINC001646028206 1416603235 /nfs/dbraw/zinc/60/32/35/1416603235.db2.gz BQFPGKXUMBRBQV-UHFFFAOYSA-N -1 3 334.303 2.525 10 10 EFCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C)n1-c1ccn(C)n1 ZINC001646035585 1416604628 /nfs/dbraw/zinc/60/46/28/1416604628.db2.gz ZNZFZAGLXIRZPA-UHFFFAOYSA-N -1 3 342.374 2.602 10 10 EFCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1[N+](=O)[O-] ZINC001683830609 1416686218 /nfs/dbraw/zinc/68/62/18/1416686218.db2.gz RRQGOHDGZMBUQZ-JTQLQIEISA-N -1 3 333.319 3.000 10 10 EFCEHM Cc1noc([C@H](C)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000121284765 723892417 /nfs/dbraw/zinc/89/24/17/723892417.db2.gz RKWUPACZXFKUOK-NSHDSACASA-N -1 3 336.823 2.616 10 10 EFCEHM C[C@@H](O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893993156 720199553 /nfs/dbraw/zinc/19/95/53/720199553.db2.gz BWYOANLJKFNGKY-SECBINFHSA-N -1 3 332.213 2.887 10 10 EFCEHM [O-]c1c(F)cc(F)cc1CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000894881450 722937350 /nfs/dbraw/zinc/93/73/50/722937350.db2.gz PHPDZLXOOVMZQF-MAUKXSAKSA-N -1 3 337.341 2.970 10 10 EFCEHM CCCOc1ccc(CN[C@H](C)c2nnc(C(=O)OCC)[n-]2)cc1C ZINC000895240869 723927743 /nfs/dbraw/zinc/92/77/43/723927743.db2.gz GPMBUCBKCSKCOU-CYBMUJFWSA-N -1 3 346.431 2.929 10 10 EFCEHM COc1ccc(C)cc1CCNC(=O)NCc1c([O-])cccc1F ZINC000913938033 725961071 /nfs/dbraw/zinc/96/10/71/725961071.db2.gz JKGZVGWRQZHBSK-UHFFFAOYSA-N -1 3 332.375 2.890 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC1CCN(c2ccccc2)CC1 ZINC000914327502 726242234 /nfs/dbraw/zinc/24/22/34/726242234.db2.gz NDGDNHQALCJGRG-UHFFFAOYSA-N -1 3 343.402 3.000 10 10 EFCEHM CN1CCCc2cc(CNC(=O)NCc3c([O-])cccc3F)ccc21 ZINC000915390751 726970227 /nfs/dbraw/zinc/97/02/27/726970227.db2.gz OQSFGWBILZXDSH-UHFFFAOYSA-N -1 3 343.402 2.913 10 10 EFCEHM COc1nc(C)cc(C)c1CNC(=O)NCc1c([O-])cccc1F ZINC000916482116 727688588 /nfs/dbraw/zinc/68/85/88/727688588.db2.gz CWFSQQSJWMPLEU-UHFFFAOYSA-N -1 3 333.363 2.551 10 10 EFCEHM COc1ccccc1O[C@@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000920736110 729225539 /nfs/dbraw/zinc/22/55/39/729225539.db2.gz QRYBCNSQPYFGMB-LBPRGKRZSA-N -1 3 348.374 2.807 10 10 EFCEHM CC(C)(C)c1nnc(CNC(=O)NCc2c([O-])cccc2F)s1 ZINC000921441366 729458453 /nfs/dbraw/zinc/45/84/53/729458453.db2.gz GAEXARMMXQZJNN-UHFFFAOYSA-N -1 3 338.408 2.680 10 10 EFCEHM CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175670928 729516867 /nfs/dbraw/zinc/51/68/67/729516867.db2.gz YRCPFDMXQGKCRS-INIZCTEOSA-N -1 3 336.407 2.567 10 10 EFCEHM CN(C)C(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC001583229514 1091937912 /nfs/dbraw/zinc/93/79/12/1091937912.db2.gz JJBYPQGMKDNOPC-UHFFFAOYSA-N -1 3 334.759 2.705 10 10 EFCEHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1c(F)cccc1Cl ZINC001622547274 1099524151 /nfs/dbraw/zinc/52/41/51/1099524151.db2.gz WNLKLVMVUZTJLX-RTHLEPHNSA-N -1 3 339.750 2.742 10 10 EFCEHM COc1nnc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)[n-]1 ZINC001630683038 1100330318 /nfs/dbraw/zinc/33/03/18/1100330318.db2.gz CMMATYVQPKOUML-UHFFFAOYSA-N -1 3 325.372 2.782 10 10 EFCEHM COc1nc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)n[n-]1 ZINC001630683038 1100330327 /nfs/dbraw/zinc/33/03/27/1100330327.db2.gz CMMATYVQPKOUML-UHFFFAOYSA-N -1 3 325.372 2.782 10 10 EFCEHM COc1n[n-]c(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)n1 ZINC001630683038 1100330338 /nfs/dbraw/zinc/33/03/38/1100330338.db2.gz CMMATYVQPKOUML-UHFFFAOYSA-N -1 3 325.372 2.782 10 10 EFCEHM Cc1nc2cc(NC(=O)c3cccc(O)c3[O-])ccc2n1[C@H](C)CO ZINC001635453784 1100663088 /nfs/dbraw/zinc/66/30/88/1100663088.db2.gz WWPJNKHRVVMGFX-SNVBAGLBSA-N -1 3 341.367 2.562 10 10 EFCEHM COc1ccccc1-c1nnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC001636140166 1100702398 /nfs/dbraw/zinc/70/23/98/1100702398.db2.gz SDYZORUFZFXXCZ-UHFFFAOYSA-N -1 3 343.364 2.877 10 10 EFCEHM CCc1noc([C@@H]2CC[C@H](NC(=O)NCc3c([O-])cccc3F)C2)n1 ZINC001638743974 1100883673 /nfs/dbraw/zinc/88/36/73/1100883673.db2.gz WDRAOONYOBYARX-MNOVXSKESA-N -1 3 348.378 2.612 10 10 EFCEHM CCc1n[nH]c(C(=O)NCc2c([O-])cccc2F)c1Br ZINC001638863688 1100892071 /nfs/dbraw/zinc/89/20/71/1100892071.db2.gz QBVNMMYOHKOCEU-UHFFFAOYSA-N -1 3 342.168 2.509 10 10 EFCEHM Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001638864120 1100892585 /nfs/dbraw/zinc/89/25/85/1100892585.db2.gz WCETVYPKBCIWSU-UHFFFAOYSA-N -1 3 341.342 2.661 10 10 EFCEHM CN=[S@@](C)(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC001640687902 1101071427 /nfs/dbraw/zinc/07/14/27/1101071427.db2.gz ICFIZEGTXJDYBB-QHCPKHFHSA-N -1 3 334.397 2.745 10 10 EFCEHM CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2c([O-])cccc2F)c1 ZINC001652295714 1101470724 /nfs/dbraw/zinc/47/07/24/1101470724.db2.gz QEKITXXWGQZPNM-LBPRGKRZSA-N -1 3 331.343 2.818 10 10 EFCEHM O=C(Cc1cnn(-c2ccccc2)c1)NCc1c([O-])cccc1F ZINC001652295046 1101470838 /nfs/dbraw/zinc/47/08/38/1101470838.db2.gz ADEYPQFCBNSVRA-UHFFFAOYSA-N -1 3 325.343 2.576 10 10 EFCEHM Cc1noc(Cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC001652984059 1101573792 /nfs/dbraw/zinc/57/37/92/1101573792.db2.gz NWSRSWVEOUTOHE-UHFFFAOYSA-N -1 3 325.324 2.632 10 10 EFCEHM [O-]c1cccc(F)c1CNc1ncc(I)cn1 ZINC001655876041 1101905042 /nfs/dbraw/zinc/90/50/42/1101905042.db2.gz MHNMQIGZZMBVRX-UHFFFAOYSA-N -1 3 345.115 2.538 10 10 EFCEHM CC(C)(C)OC(=O)c1ccnc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001167241713 1102129193 /nfs/dbraw/zinc/12/91/93/1102129193.db2.gz HLEMWLYYNMPXBX-UHFFFAOYSA-N -1 3 330.340 2.700 10 10 EFCEHM O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000840998368 1102714185 /nfs/dbraw/zinc/71/41/85/1102714185.db2.gz BHLLRJYEPZGULB-HNNXBMFYSA-N -1 3 343.379 2.687 10 10 EFCEHM O=C(NCc1ccc(Br)o1)NCc1c([O-])cccc1F ZINC001680304845 1107836186 /nfs/dbraw/zinc/83/61/86/1107836186.db2.gz ZCJPBVHQDRGWSK-UHFFFAOYSA-N -1 3 343.152 2.886 10 10 EFCEHM [O-]c1ccc(Br)cc1[C@H](c1ccncc1)N1CCOCC1 ZINC000032601752 202228689 /nfs/dbraw/zinc/22/86/89/202228689.db2.gz IBQNVZNRMRUTBK-INIZCTEOSA-N -1 3 349.228 2.971 10 10 EFCEHM COc1cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c2c(OC)c1OC ZINC000026378547 201386625 /nfs/dbraw/zinc/38/66/25/201386625.db2.gz UJEJKGCTUWVBRI-UHFFFAOYSA-N -1 3 344.319 2.897 10 10 EFCEHM CN1CCCN(Cc2ccc(OCc3ccccc3)cc2[O-])CC1=O ZINC000191665676 240001506 /nfs/dbraw/zinc/00/15/06/240001506.db2.gz NOXOJAVCIAJYFS-UHFFFAOYSA-N -1 3 340.423 2.635 10 10 EFCEHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000193092481 240086352 /nfs/dbraw/zinc/08/63/52/240086352.db2.gz ZNXLUGVTTVYLQL-ZBEGNZNMSA-N -1 3 331.343 2.839 10 10 EFCEHM CN(C)c1noc([C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000194938928 240188861 /nfs/dbraw/zinc/18/88/61/240188861.db2.gz DTUQJASYSDNDGA-NSHDSACASA-N -1 3 336.823 2.874 10 10 EFCEHM COc1cc(Cl)cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1[O-] ZINC000248897902 240297445 /nfs/dbraw/zinc/29/74/45/240297445.db2.gz VTVQTOXKTFBPHZ-RBSFLKMASA-N -1 3 341.835 2.823 10 10 EFCEHM COc1cccc([C@@H]2CN(C(=O)c3ccc(C)c(O)c3[O-])CCO2)c1 ZINC000272763848 240680028 /nfs/dbraw/zinc/68/00/28/240680028.db2.gz QSHOOAIFJSYBIZ-INIZCTEOSA-N -1 3 343.379 2.629 10 10 EFCEHM COC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295448822 241053452 /nfs/dbraw/zinc/05/34/52/241053452.db2.gz VEDDEMRSVDCJHU-NSHDSACASA-N -1 3 327.783 2.960 10 10 EFCEHM Cc1ccc(N2CCCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000366087214 242340519 /nfs/dbraw/zinc/34/05/19/242340519.db2.gz KWQACSDDAASREN-UHFFFAOYSA-N -1 3 326.396 2.759 10 10 EFCEHM CS(=O)(=O)CC[C@@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000366534751 242355501 /nfs/dbraw/zinc/35/55/01/242355501.db2.gz LQWWCKYKWLGWJA-AWEZNQCLSA-N -1 3 331.865 2.835 10 10 EFCEHM O=c1ccc2ccc([O-])c(CN3CCN(c4ccccc4)CC3)c2o1 ZINC000015833995 285222408 /nfs/dbraw/zinc/22/24/08/285222408.db2.gz IGOLFYFDKDOVBI-UHFFFAOYSA-N -1 3 336.391 2.821 10 10 EFCEHM COc1c(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)c(C)nn1C ZINC000160191351 533413289 /nfs/dbraw/zinc/41/32/89/533413289.db2.gz JPUZZTHHUXNUPW-INIZCTEOSA-N -1 3 345.443 2.624 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(C1)OCc1ccccc12 ZINC000365699756 304549399 /nfs/dbraw/zinc/54/93/99/304549399.db2.gz FERLTRGAEXUOGN-LJQANCHMSA-N -1 3 325.364 2.760 10 10 EFCEHM Cc1cnc(CCN(C)Cc2cc(=O)oc3cc([O-])c(O)cc23)s1 ZINC000097135220 472457813 /nfs/dbraw/zinc/45/78/13/472457813.db2.gz FCLUIPOJTKOZFD-UHFFFAOYSA-N -1 3 346.408 2.644 10 10 EFCEHM C[C@H](NC(=O)c1ccc([O-])c(O)c1)c1cnn(Cc2ccccc2)c1 ZINC000097235688 472485890 /nfs/dbraw/zinc/48/58/90/472485890.db2.gz BMKJAHCSZAQHKP-ZDUSSCGKSA-N -1 3 337.379 2.834 10 10 EFCEHM CN1CC[C@@H](NC(=O)c2ccc([O-])c(O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000097235285 472486296 /nfs/dbraw/zinc/48/62/96/472486296.db2.gz LSYOXLAYZMJQKP-PBHICJAKSA-N -1 3 346.814 2.926 10 10 EFCEHM COCCN1C(=O)c2ccccc2N[C@H]1c1cc(O)c([O-])c(Cl)c1 ZINC000048325054 472856939 /nfs/dbraw/zinc/85/69/39/472856939.db2.gz AATCJYJVBBWWLJ-MRXNPFEDSA-N -1 3 348.786 2.964 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000185762147 473507397 /nfs/dbraw/zinc/50/73/97/473507397.db2.gz PFRGIDNUPNKZSD-YOEHRIQHSA-N -1 3 327.380 2.826 10 10 EFCEHM Cc1nn(C)c(C)c1CN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180103605 473799672 /nfs/dbraw/zinc/79/96/72/473799672.db2.gz MENCKXOOFWJTAX-UHFFFAOYSA-N -1 3 348.878 2.714 10 10 EFCEHM Cc1cnn(C[C@H]2CN(Cc3cc(Cl)cc(C)c3[O-])CCO2)c1 ZINC000180130147 473807165 /nfs/dbraw/zinc/80/71/65/473807165.db2.gz DGYUSECYLONMKA-MRXNPFEDSA-N -1 3 335.835 2.760 10 10 EFCEHM CC(=O)N1CCN(c2cccc(NCc3cccc(F)c3[O-])c2)CC1 ZINC000276231537 474460438 /nfs/dbraw/zinc/46/04/38/474460438.db2.gz NIPVOKUJPGVCAD-UHFFFAOYSA-N -1 3 343.402 2.812 10 10 EFCEHM COc1cccc([C@H]2CN(C(=O)c3ccc(C)c(O)c3[O-])CCO2)c1 ZINC000272763849 474625533 /nfs/dbraw/zinc/62/55/33/474625533.db2.gz QSHOOAIFJSYBIZ-MRXNPFEDSA-N -1 3 343.379 2.629 10 10 EFCEHM COc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc1OC ZINC000272769971 474625676 /nfs/dbraw/zinc/62/56/76/474625676.db2.gz MRHLDRGHNMEPHL-LBPRGKRZSA-N -1 3 345.395 2.784 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCC(CS(C)(=O)=O)CC2)c1[O-] ZINC000292840927 474668943 /nfs/dbraw/zinc/66/89/43/474668943.db2.gz SCWYBIJBSGGIPN-UHFFFAOYSA-N -1 3 331.865 2.611 10 10 EFCEHM COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000278566669 474709164 /nfs/dbraw/zinc/70/91/64/474709164.db2.gz BYVRYBVNJNQXEA-CQSZACIVSA-N -1 3 332.356 2.786 10 10 EFCEHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1O ZINC000280677872 475042047 /nfs/dbraw/zinc/04/20/47/475042047.db2.gz ZCCZSBKQSHSTEN-JTQLQIEISA-N -1 3 335.381 2.525 10 10 EFCEHM CCCNC(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295321360 475120124 /nfs/dbraw/zinc/12/01/24/475120124.db2.gz LJNBZQZHBRTTJW-NSHDSACASA-N -1 3 328.815 2.923 10 10 EFCEHM COc1c([O-])c(CN2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281296154 475158828 /nfs/dbraw/zinc/15/88/28/475158828.db2.gz PJBNPBDHOCXROO-CQSZACIVSA-N -1 3 346.387 2.770 10 10 EFCEHM Cc1ccc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c([O-])c1O ZINC000374727033 476505389 /nfs/dbraw/zinc/50/53/89/476505389.db2.gz QTJWLHJCTZRUFU-LRDDRELGSA-N -1 3 327.380 2.870 10 10 EFCEHM CCn1ncc(CN[C@@H](C)c2ccc(Br)cc2[O-])n1 ZINC000527922598 478573579 /nfs/dbraw/zinc/57/35/79/478573579.db2.gz HMEYLKDHMYPXSA-VIFPVBQESA-N -1 3 325.210 2.617 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[O-] ZINC000528788068 478934683 /nfs/dbraw/zinc/93/46/83/478934683.db2.gz OUVFFWFDCWCIEK-QLEMLULZSA-N -1 3 341.860 2.734 10 10 EFCEHM C[C@]1(Br)C[C@H]1C(=O)NCc1ccc2cccnc2c1[O-] ZINC000529499766 479180845 /nfs/dbraw/zinc/18/08/45/479180845.db2.gz ACLSBHRLBKGJIS-NHYWBVRUSA-N -1 3 335.201 2.730 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](n3cncn3)C2)c1[O-] ZINC000177122891 527206496 /nfs/dbraw/zinc/20/64/96/527206496.db2.gz WHKIZVVDPJZFAM-AWEZNQCLSA-N -1 3 334.807 2.677 10 10 EFCEHM COc1cc(CC2CN(C(=O)c3cc([O-])cs3)C2)cc(OC)c1 ZINC000754436954 575436073 /nfs/dbraw/zinc/43/60/73/575436073.db2.gz UQNUZVJSXGHDBD-UHFFFAOYSA-N -1 3 333.409 2.786 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN2CCCC3(C2)OCCO3)c1 ZINC000761215476 576130706 /nfs/dbraw/zinc/13/07/06/576130706.db2.gz QEFKDNKEQWMCCG-UHFFFAOYSA-N -1 3 342.233 2.802 10 10 EFCEHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000762921084 576347101 /nfs/dbraw/zinc/34/71/01/576347101.db2.gz PEQAOJNSIXGFRE-JQWIXIFHSA-N -1 3 340.445 2.829 10 10 EFCEHM CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(Cl)ccc1[O-] ZINC000763480565 576378849 /nfs/dbraw/zinc/37/88/49/576378849.db2.gz OAKGNENFEZVKFD-HNNXBMFYSA-N -1 3 334.803 2.705 10 10 EFCEHM CN1CC[C@@H](NC(=O)c2cc([O-])cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000765419941 577040515 /nfs/dbraw/zinc/04/05/15/577040515.db2.gz YZOOYSYTLQPHAY-HIFRSBDPSA-N -1 3 338.379 2.907 10 10 EFCEHM COc1cc(Br)cc(CN(C)Cc2cc[nH]n2)c1[O-] ZINC000769383733 577357431 /nfs/dbraw/zinc/35/74/31/577357431.db2.gz HUTLZHKUPHZUGO-UHFFFAOYSA-N -1 3 326.194 2.518 10 10 EFCEHM CCc1cnc(N2CCN(Cc3c([O-])cccc3OC)CC2)s1 ZINC000769404735 577359896 /nfs/dbraw/zinc/35/98/96/577359896.db2.gz PKIYKYMAXGUVDP-UHFFFAOYSA-N -1 3 333.457 2.742 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1 ZINC000726796775 577386818 /nfs/dbraw/zinc/38/68/18/577386818.db2.gz DNFUQPOSOAMBRE-KRWDZBQOSA-N -1 3 338.363 2.908 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]3COCC[C@@H]32)c1[O-] ZINC000770285306 577409997 /nfs/dbraw/zinc/40/99/97/577409997.db2.gz FRDMFZGEPRQJQO-GWCFXTLKSA-N -1 3 326.780 2.955 10 10 EFCEHM O=C(Cc1cccc(Cl)c1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000770506199 577422066 /nfs/dbraw/zinc/42/20/66/577422066.db2.gz YPORXQFOJORLJZ-UHFFFAOYSA-N -1 3 344.842 2.933 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCc2ccccc2OC1 ZINC000922374168 1265863777 /nfs/dbraw/zinc/86/37/77/1265863777.db2.gz ONVCEGGUCUSQFH-ZDUSSCGKSA-N -1 3 330.359 2.724 10 10 EFCEHM O=C(NCc1ccn(C2CCCC2)n1)NCc1c([O-])cccc1F ZINC000921552638 1257256022 /nfs/dbraw/zinc/25/60/22/1257256022.db2.gz XOQZDISJKJJGKM-UHFFFAOYSA-N -1 3 332.379 2.842 10 10 EFCEHM COc1cccc([C@H](CNC(=O)NCc2c([O-])cccc2F)OC)c1 ZINC000923393098 1261599157 /nfs/dbraw/zinc/59/91/57/1261599157.db2.gz NPYIQXJKPGZQMB-KRWDZBQOSA-N -1 3 348.374 2.727 10 10 EFCEHM Cc1cccc2c1C[C@@H](NC(=O)NCc1c([O-])cccc1F)CO2 ZINC000923399097 1261607782 /nfs/dbraw/zinc/60/77/82/1261607782.db2.gz NZJQFBKHXNFKMR-GFCCVEGCSA-N -1 3 330.359 2.643 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000922731033 1266700494 /nfs/dbraw/zinc/70/04/94/1266700494.db2.gz NOIOCRPLIFFUEZ-DYVFJYSZSA-N -1 3 345.374 2.646 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC1CCC(OC(F)F)CC1 ZINC000922771023 1266764129 /nfs/dbraw/zinc/76/41/29/1266764129.db2.gz CDKHXBQMHVVILD-UHFFFAOYSA-N -1 3 332.322 2.881 10 10 EFCEHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124740 1278419258 /nfs/dbraw/zinc/41/92/58/1278419258.db2.gz XCOKPFCJYLCUAX-JVXZTZIISA-N -1 3 327.705 2.930 10 10 EFCEHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124742 1278419645 /nfs/dbraw/zinc/41/96/45/1278419645.db2.gz XCOKPFCJYLCUAX-MADCSZMMSA-N -1 3 327.705 2.930 10 10 EFCEHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825123662 1278420001 /nfs/dbraw/zinc/42/00/01/1278420001.db2.gz BKMUKUIYIQBUQA-MADCSZMMSA-N -1 3 327.705 2.930 10 10 EFCEHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124741 1278420013 /nfs/dbraw/zinc/42/00/13/1278420013.db2.gz XCOKPFCJYLCUAX-KRTXAFLBSA-N -1 3 327.705 2.930 10 10 EFCEHM CC(C)(C)N1CCc2nc(NC(=O)c3cccc(O)c3[O-])sc2C1 ZINC000819679370 1276873201 /nfs/dbraw/zinc/87/32/01/1276873201.db2.gz ZOSHOYLXEVXDIL-UHFFFAOYSA-N -1 3 347.440 2.963 10 10 EFCEHM C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C(=O)OC(C)(C)C ZINC000819680691 1276876137 /nfs/dbraw/zinc/87/61/37/1276876137.db2.gz GILHWJUVYNPZPG-RISCZKNCSA-N -1 3 335.400 2.680 10 10 EFCEHM CCC(O)(CC)C(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000923200098 1277240162 /nfs/dbraw/zinc/24/01/62/1277240162.db2.gz VEFMGEMRUSPNJS-UHFFFAOYSA-N -1 3 326.412 2.908 10 10 EFCEHM O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1cccc(O)c1[O-] ZINC000846653308 1280367108 /nfs/dbraw/zinc/36/71/08/1280367108.db2.gz CUOACUVPAMCIDK-JOCQHMNTSA-N -1 3 327.384 2.646 10 10 EFCEHM C[C@H](NCc1c2c(nn1C)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000812736119 1285387852 /nfs/dbraw/zinc/38/78/52/1285387852.db2.gz DFCCMXJLHXKFQV-NSHDSACASA-N -1 3 330.388 2.764 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001178412552 1288780851 /nfs/dbraw/zinc/78/08/51/1288780851.db2.gz ACJLBPDEGBINPF-QWHCGFSZSA-N -1 3 330.315 2.859 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001178413351 1288780902 /nfs/dbraw/zinc/78/09/02/1288780902.db2.gz QXDOJLMVCLDRLS-QWHCGFSZSA-N -1 3 330.315 2.859 10 10 EFCEHM Cc1cc(C(F)(F)F)nc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001178413776 1288781198 /nfs/dbraw/zinc/78/11/98/1288781198.db2.gz YREDWLWKKZVCBL-UHFFFAOYSA-N -1 3 329.253 2.579 10 10 EFCEHM CNC(=O)C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000795849055 1291554271 /nfs/dbraw/zinc/55/42/71/1291554271.db2.gz DRZWUFXZTDZKPC-BLLLJJGKSA-N -1 3 343.383 2.828 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c1[O-] ZINC000796303694 1292821046 /nfs/dbraw/zinc/82/10/46/1292821046.db2.gz CSFPPNKRSWLFOG-ISVAXAHUSA-N -1 3 335.297 2.886 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001234032297 1313041346 /nfs/dbraw/zinc/04/13/46/1313041346.db2.gz ASXWPRGYJWRLCU-GFCCVEGCSA-N -1 3 338.285 2.742 10 10 EFCEHM COc1cccc(CCC(=O)NCc2c([O-])cccc2F)c1OC ZINC000928710474 1297126393 /nfs/dbraw/zinc/12/63/93/1297126393.db2.gz SVLMDXHOBWOVLS-UHFFFAOYSA-N -1 3 333.359 2.798 10 10 EFCEHM CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1c([O-])cccc1F ZINC000928710383 1297126756 /nfs/dbraw/zinc/12/67/56/1297126756.db2.gz COUTZBIPHBSZKD-UHFFFAOYSA-N -1 3 342.370 2.834 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCO[C@H](C)C1 ZINC000779012930 1297742627 /nfs/dbraw/zinc/74/26/27/1297742627.db2.gz KUXIYSMCIMJIDD-CHWSQXEVSA-N -1 3 341.835 2.836 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c1[O-] ZINC000852780546 1299882971 /nfs/dbraw/zinc/88/29/71/1299882971.db2.gz OBTSZBGRYZVVJW-ABKXIKBNSA-N -1 3 331.334 2.978 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1[O-] ZINC000852780549 1299883004 /nfs/dbraw/zinc/88/30/04/1299883004.db2.gz OBTSZBGRYZVVJW-XXFAHNHDSA-N -1 3 331.334 2.978 10 10 EFCEHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(OC)c1OC ZINC000871277959 1305949746 /nfs/dbraw/zinc/94/97/46/1305949746.db2.gz IJEWBKYFNMZGCV-CYBMUJFWSA-N -1 3 331.368 2.996 10 10 EFCEHM O=C(NCc1cc(F)cnc1Cl)NCc1c([O-])cccc1F ZINC001251375923 1315343903 /nfs/dbraw/zinc/34/39/03/1315343903.db2.gz SOLRUFPQERBUBA-UHFFFAOYSA-N -1 3 327.718 2.718 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC001293710027 1322331831 /nfs/dbraw/zinc/33/18/31/1322331831.db2.gz PQILDAWETFZSPV-LBPRGKRZSA-N -1 3 329.356 2.726 10 10 EFCEHM CCOC(=O)c1ccnc(NCc2c([O-])cccc2F)c1[N+](=O)[O-] ZINC001307214413 1324752099 /nfs/dbraw/zinc/75/20/99/1324752099.db2.gz DFZBJBGLAQCHTE-UHFFFAOYSA-N -1 3 335.291 2.623 10 10 EFCEHM COc1c([O-])c(CNCc2ccc(C)nc2Cl)ccc1[N+](=O)[O-] ZINC001333718493 1331200848 /nfs/dbraw/zinc/20/08/48/1331200848.db2.gz IDBJFQVXGNVEAP-UHFFFAOYSA-N -1 3 337.763 2.956 10 10 EFCEHM [O-]c1cc(Br)ccc1CN1CCO[C@]2(CCSC2)C1 ZINC001350626597 1333104302 /nfs/dbraw/zinc/10/43/02/1333104302.db2.gz MNOXVNBMTFNBID-CQSZACIVSA-N -1 3 344.274 2.863 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCCN1Cc1cccnc1 ZINC001351000708 1333165474 /nfs/dbraw/zinc/16/54/74/1333165474.db2.gz ZLOCGGKUHKOSTI-KRWDZBQOSA-N -1 3 343.402 2.597 10 10 EFCEHM CCOC(=O)c1sc(NC(=O)c2ccc(C)c(O)c2[O-])nc1C ZINC001300032459 1333555208 /nfs/dbraw/zinc/55/52/08/1333555208.db2.gz LHNIMOFELJOLBQ-UHFFFAOYSA-N -1 3 336.369 2.600 10 10 EFCEHM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NCc1cc(F)ccc1[O-] ZINC000848928544 1334993188 /nfs/dbraw/zinc/99/31/88/1334993188.db2.gz GWUMLFYZXQWZHZ-INIZCTEOSA-N -1 3 346.402 2.969 10 10 EFCEHM CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001440867011 1389966568 /nfs/dbraw/zinc/96/65/68/1389966568.db2.gz LYDGKSQTINOFOQ-UHFFFAOYSA-N -1 3 328.368 2.736 10 10 EFCEHM O=C(NCc1cccc(OC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001457197807 1395027553 /nfs/dbraw/zinc/02/75/53/1395027553.db2.gz GNLJCDAFKKWWKE-UHFFFAOYSA-N -1 3 327.258 2.926 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCCC[C@H]1O ZINC001459689746 1395976629 /nfs/dbraw/zinc/97/66/29/1395976629.db2.gz XXSCMZBTPJLNKM-IUODEOHRSA-N -1 3 341.835 2.572 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1c2ccccc2OC[C@@H]1F ZINC001479304104 1397673741 /nfs/dbraw/zinc/67/37/41/1397673741.db2.gz BDPZNTBQULZDMM-BBRMVZONSA-N -1 3 334.322 2.802 10 10 EFCEHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)c(Br)n1 ZINC001558455486 1415180543 /nfs/dbraw/zinc/18/05/43/1415180543.db2.gz VENJXFRGCJKMRK-UHFFFAOYSA-N -1 3 339.164 2.927 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cnc(-c2cccnc2)s1 ZINC001646034056 1416604062 /nfs/dbraw/zinc/60/40/62/1416604062.db2.gz FXWDCBZLAMZPNX-UHFFFAOYSA-N -1 3 329.356 2.980 10 10 EFCEHM CC[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@H](C)S1(=O)=O ZINC000840946823 717982961 /nfs/dbraw/zinc/98/29/61/717982961.db2.gz VRTAJLKLCFYQCU-NWDGAFQWSA-N -1 3 331.865 2.752 10 10 EFCEHM CC[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@@H](C)S1(=O)=O ZINC000840946828 717984377 /nfs/dbraw/zinc/98/43/77/717984377.db2.gz VRTAJLKLCFYQCU-VXGBXAGGSA-N -1 3 331.865 2.752 10 10 EFCEHM Cc1cc([O-])c(CN2CCC(CS(C)(=O)=O)CC2)c(Cl)c1 ZINC000840950940 718569638 /nfs/dbraw/zinc/56/96/38/718569638.db2.gz ULAGBOBIAYLBKQ-UHFFFAOYSA-N -1 3 331.865 2.611 10 10 EFCEHM COCCOCc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928705297 724580771 /nfs/dbraw/zinc/58/07/71/724580771.db2.gz GACFRDVGCJYDQP-UHFFFAOYSA-N -1 3 333.359 2.624 10 10 EFCEHM CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928709441 724586607 /nfs/dbraw/zinc/58/66/07/724586607.db2.gz ILPPIPPZQGNNGS-LLVKDONJSA-N -1 3 340.395 2.793 10 10 EFCEHM CC(C)N(CC(=O)NCc1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC000928711240 724587955 /nfs/dbraw/zinc/58/79/55/724587955.db2.gz LTGIWPWCCCJMOW-UHFFFAOYSA-N -1 3 340.395 2.793 10 10 EFCEHM CCCOc1ccc(CN[C@@H](C)c2nnc(C(=O)OCC)[n-]2)cc1C ZINC000895240872 723927981 /nfs/dbraw/zinc/92/79/81/723927981.db2.gz GPMBUCBKCSKCOU-ZDUSSCGKSA-N -1 3 346.431 2.929 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN2CCNC(=O)CC2(C)C)c1 ZINC000895400451 724117671 /nfs/dbraw/zinc/11/76/71/724117671.db2.gz RILVAPAVAJIFMH-UHFFFAOYSA-N -1 3 341.249 2.564 10 10 EFCEHM O=C(NCCc1ccc2c(c1)CCO2)NCc1c([O-])cccc1F ZINC000918730867 728917510 /nfs/dbraw/zinc/91/75/10/728917510.db2.gz SENQWPPPCQRAHT-UHFFFAOYSA-N -1 3 330.359 2.508 10 10 EFCEHM O=C(NCc1ccnc(N2CCCC2)c1)NCc1c([O-])cccc1F ZINC000913995611 725979667 /nfs/dbraw/zinc/97/96/67/725979667.db2.gz WIGUUQYLGNYWBF-UHFFFAOYSA-N -1 3 344.390 2.526 10 10 EFCEHM Cc1ccc(NCCCNC(=O)NCc2c([O-])cccc2F)nc1 ZINC000914124202 726062012 /nfs/dbraw/zinc/06/20/12/726062012.db2.gz LHRYRHBNQIYZHS-UHFFFAOYSA-N -1 3 332.379 2.536 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H](CCCO)c1ccccc1 ZINC000920063119 729133266 /nfs/dbraw/zinc/13/32/66/729133266.db2.gz AXNBBXMLLOXSAL-INIZCTEOSA-N -1 3 332.375 2.844 10 10 EFCEHM CO[C@@H](CS(=O)(=O)NCc1c([O-])cccc1F)C1CCCCC1 ZINC000921450752 729460375 /nfs/dbraw/zinc/46/03/75/729460375.db2.gz DTWYJOAZHHFHJG-INIZCTEOSA-N -1 3 345.436 2.546 10 10 EFCEHM C[C@H](COC1CCCC1)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452790 729460795 /nfs/dbraw/zinc/46/07/95/729460795.db2.gz ZPOZQRWHPYRVDD-GFCCVEGCSA-N -1 3 345.436 2.546 10 10 EFCEHM CCC(=O)NC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC001648323939 1089980844 /nfs/dbraw/zinc/98/08/44/1089980844.db2.gz DCVPMIKCIKYLAD-UHFFFAOYSA-N -1 3 338.835 2.739 10 10 EFCEHM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCN1C ZINC000708141152 1093169126 /nfs/dbraw/zinc/16/91/26/1093169126.db2.gz QOIRYOJUCBHHTL-SECBINFHSA-N -1 3 333.657 2.944 10 10 EFCEHM Cc1c(=O)n(C)c2ccccc2c1C(=O)NCc1c([O-])cccc1F ZINC001596916579 1094553411 /nfs/dbraw/zinc/55/34/11/1094553411.db2.gz JGRVAPMZVSCMAX-UHFFFAOYSA-N -1 3 340.354 2.622 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC001597704149 1094615695 /nfs/dbraw/zinc/61/56/95/1094615695.db2.gz MXXIRXGTAIJUMC-INIZCTEOSA-N -1 3 327.380 2.511 10 10 EFCEHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H](COC)Cc1ccccc1 ZINC001630697146 1100330685 /nfs/dbraw/zinc/33/06/85/1100330685.db2.gz BAUXTVFIAJZTNM-OAHLLOKOSA-N -1 3 329.396 2.818 10 10 EFCEHM Cc1ccc(C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)c([O-])c1O ZINC001633329732 1100536929 /nfs/dbraw/zinc/53/69/29/1100536929.db2.gz YRBYLZZUHXBLID-GOSISDBHSA-N -1 3 342.351 2.614 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc(-n2cc[nH]c2=S)cc1 ZINC001635360140 1100656423 /nfs/dbraw/zinc/65/64/23/1100656423.db2.gz APYKKYPYJWAVQH-UHFFFAOYSA-N -1 3 343.383 2.936 10 10 EFCEHM CCc1c(C(=O)NCc2c([O-])cccc2F)cnn1-c1ccccn1 ZINC001635361201 1100656480 /nfs/dbraw/zinc/65/64/80/1100656480.db2.gz ZPTZGQNZCQEJKJ-UHFFFAOYSA-N -1 3 340.358 2.604 10 10 EFCEHM Cc1nc2cc(NC(=O)c3cccc(O)c3[O-])ccc2n1[C@@H](C)CO ZINC001635453783 1100663019 /nfs/dbraw/zinc/66/30/19/1100663019.db2.gz WWPJNKHRVVMGFX-JTQLQIEISA-N -1 3 341.367 2.562 10 10 EFCEHM CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCCCCC1 ZINC001639489353 1100955086 /nfs/dbraw/zinc/95/50/86/1100955086.db2.gz GYUWRZFPECCHFG-HNNXBMFYSA-N -1 3 335.400 2.730 10 10 EFCEHM C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)c1cccc(O)c1[O-] ZINC001643482760 1101303189 /nfs/dbraw/zinc/30/31/89/1101303189.db2.gz CUOBOYOEKGZIET-APPDUMDISA-N -1 3 331.343 2.839 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1c[nH]c(=S)n1-c1ccccc1 ZINC001652295333 1101471090 /nfs/dbraw/zinc/47/10/90/1101471090.db2.gz ISKLQFGHOVUPHB-UHFFFAOYSA-N -1 3 343.383 2.936 10 10 EFCEHM CCn1c(=O)[nH]c2cc(C(=O)NCc3c([O-])cccc3F)ccc21 ZINC001652298259 1101471235 /nfs/dbraw/zinc/47/12/35/1101471235.db2.gz HMRAKSUNNNPZFQ-UHFFFAOYSA-N -1 3 329.331 2.537 10 10 EFCEHM O=C(Cc1c[nH]c2cnc(Cl)cc12)NCc1c([O-])cccc1F ZINC001652298684 1101471662 /nfs/dbraw/zinc/47/16/62/1101471662.db2.gz MZFBPWUOKVFESE-UHFFFAOYSA-N -1 3 333.750 2.920 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2Cc3ccccc3NC(=O)C2)c1[O-] ZINC001654865119 1101764935 /nfs/dbraw/zinc/76/49/35/1101764935.db2.gz ZCAFDPSXRKWUIJ-UHFFFAOYSA-N -1 3 328.343 2.688 10 10 EFCEHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(N(C)C)cc1 ZINC001659193608 1102524199 /nfs/dbraw/zinc/52/41/99/1102524199.db2.gz NIYFSFDHLZGCFR-WFASDCNBSA-N -1 3 343.393 2.784 10 10 EFCEHM O=C(Nc1nnc(-c2ccccc2)s1)c1cc(O)c([O-])c(O)c1 ZINC000039766100 213242232 /nfs/dbraw/zinc/24/22/32/213242232.db2.gz QAAYXQVTVJZBOQ-UHFFFAOYSA-N -1 3 329.337 2.574 10 10 EFCEHM Cc1cccc(N2CCC(NC(=O)c3ccc(C)c(O)c3[O-])CC2)n1 ZINC000177686684 239389423 /nfs/dbraw/zinc/38/94/23/239389423.db2.gz STGGKZQHCGEJQJ-UHFFFAOYSA-N -1 3 341.411 2.508 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC(Nc2ccccc2F)CC1 ZINC000193095539 240085385 /nfs/dbraw/zinc/08/53/85/240085385.db2.gz HDHZLAODKBBRSI-UHFFFAOYSA-N -1 3 330.359 2.954 10 10 EFCEHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1N1CCOCC1 ZINC000245771575 240262463 /nfs/dbraw/zinc/26/24/63/240262463.db2.gz RXIYIIJCMYBIGV-IAQYHMDHSA-N -1 3 345.270 2.852 10 10 EFCEHM COCCOc1ncccc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000294268866 241038161 /nfs/dbraw/zinc/03/81/61/241038161.db2.gz OHFAIEOMZDTANB-UHFFFAOYSA-N -1 3 340.782 2.895 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCC[C@@H](CS(C)(=O)=O)C2)c1[O-] ZINC000293998903 241031269 /nfs/dbraw/zinc/03/12/69/241031269.db2.gz SPRBNBQNDXSABX-GFCCVEGCSA-N -1 3 331.865 2.611 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN[C@@]1(CO)CCOc2ccccc21 ZINC000294705740 241050705 /nfs/dbraw/zinc/05/07/05/241050705.db2.gz OJXPXDDITHGDPZ-QGZVFWFLSA-N -1 3 337.778 2.945 10 10 EFCEHM O=C(NCC1CC1)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295444505 241051495 /nfs/dbraw/zinc/05/14/95/241051495.db2.gz USNDBEANOFHIRH-LBPRGKRZSA-N -1 3 340.826 2.923 10 10 EFCEHM COCc1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)no1 ZINC000297757594 241133684 /nfs/dbraw/zinc/13/36/84/241133684.db2.gz LKZIUEQNAJAIKS-MRXNPFEDSA-N -1 3 332.400 2.708 10 10 EFCEHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)cc(C(C)=O)c3[O-])[C@H]2C1 ZINC000158265513 533441195 /nfs/dbraw/zinc/44/11/95/533441195.db2.gz QUCICMNQVOKIJG-HYVNUMGLSA-N -1 3 337.391 2.502 10 10 EFCEHM CN1CC[C@H](NC(=O)c2ccc([O-])c(O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000097235284 277169021 /nfs/dbraw/zinc/16/90/21/277169021.db2.gz LSYOXLAYZMJQKP-YOEHRIQHSA-N -1 3 346.814 2.926 10 10 EFCEHM C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595042 278282834 /nfs/dbraw/zinc/28/28/34/278282834.db2.gz QEERVDDFQFGCBF-LRDDRELGSA-N -1 3 341.367 2.757 10 10 EFCEHM CN(C(=O)c1ccc([O-])c(O)c1)C1CCN(c2ccc(F)cc2)CC1 ZINC000095997794 473250306 /nfs/dbraw/zinc/25/03/06/473250306.db2.gz KXHYZWSPMFOYOH-UHFFFAOYSA-N -1 3 344.386 2.978 10 10 EFCEHM O=c1[n-]nc(Sc2ncc([N+](=O)[O-])s2)n1C1CCCCC1 ZINC000002147557 471402986 /nfs/dbraw/zinc/40/29/86/471402986.db2.gz JSCHYRRQXRSXOM-UHFFFAOYSA-N -1 3 327.391 2.593 10 10 EFCEHM COc1ccccc1OC[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000034670590 471989974 /nfs/dbraw/zinc/98/99/74/471989974.db2.gz AJEPBYBLEKPKOF-INIZCTEOSA-N -1 3 329.396 2.681 10 10 EFCEHM COc1ccccc1OC[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000034670592 471990300 /nfs/dbraw/zinc/99/03/00/471990300.db2.gz AJEPBYBLEKPKOF-MRXNPFEDSA-N -1 3 329.396 2.681 10 10 EFCEHM CCCN(Cc1ccccc1[O-])c1nn2c(nc(CC)cc2=O)s1 ZINC000154409063 472428474 /nfs/dbraw/zinc/42/84/74/472428474.db2.gz YGALFPVGQCAVQC-UHFFFAOYSA-N -1 3 344.440 2.836 10 10 EFCEHM CCN(CCc1nccs1)Cc1cc(=O)oc2cc([O-])c(O)cc12 ZINC000097135219 472458028 /nfs/dbraw/zinc/45/80/28/472458028.db2.gz IOXUNCVMEKOEBH-UHFFFAOYSA-N -1 3 346.408 2.725 10 10 EFCEHM Cc1ccc([O-])c(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000121298235 472832472 /nfs/dbraw/zinc/83/24/72/472832472.db2.gz HIAOYGLXALJCSN-UHFFFAOYSA-N -1 3 327.428 2.564 10 10 EFCEHM CC[C@H](CO)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093740082 473135925 /nfs/dbraw/zinc/13/59/25/473135925.db2.gz BERXCPOAWSYCRF-CYBMUJFWSA-N -1 3 333.259 2.588 10 10 EFCEHM C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(Br)cc1[O-] ZINC000185663370 473481405 /nfs/dbraw/zinc/48/14/05/473481405.db2.gz RQCNLWBZQJSMHB-BXKDBHETSA-N -1 3 337.221 2.932 10 10 EFCEHM C[C@@H](N[C@@H]1CCCn2ncnc21)c1cc(Br)ccc1[O-] ZINC000185662427 473482032 /nfs/dbraw/zinc/48/20/32/473482032.db2.gz FHBYUOXAIAHJIN-BXKDBHETSA-N -1 3 337.221 2.932 10 10 EFCEHM CC(C)(C)n1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)nn1 ZINC000191169971 473497027 /nfs/dbraw/zinc/49/70/27/473497027.db2.gz NEKLHUNJSTZTPR-KRWDZBQOSA-N -1 3 344.459 2.920 10 10 EFCEHM COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185774616 473511084 /nfs/dbraw/zinc/51/10/84/473511084.db2.gz FMQQPRCKYINYNV-GWCFXTLKSA-N -1 3 336.823 2.969 10 10 EFCEHM CCCN(Cc1cn(C)nc1C(=O)OCC)Cc1ccccc1[O-] ZINC000186202089 473614868 /nfs/dbraw/zinc/61/48/68/473614868.db2.gz BERPIMSZXKPTJN-UHFFFAOYSA-N -1 3 331.416 2.715 10 10 EFCEHM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000179484363 473690368 /nfs/dbraw/zinc/69/03/68/473690368.db2.gz PGGYWPNJGKTPDG-CQSZACIVSA-N -1 3 329.400 2.734 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC(Nc2ccc(F)cc2)CC1 ZINC000188373788 474073819 /nfs/dbraw/zinc/07/38/19/474073819.db2.gz MAMONTLFVAFUBP-UHFFFAOYSA-N -1 3 330.359 2.954 10 10 EFCEHM Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)c([O-])c1O ZINC000184328933 474499852 /nfs/dbraw/zinc/49/98/52/474499852.db2.gz ZCCYCDNQINKJHZ-UHFFFAOYSA-N -1 3 335.363 2.793 10 10 EFCEHM [O-]c1cccc(Cl)c1CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271379787 474516995 /nfs/dbraw/zinc/51/69/95/474516995.db2.gz RGYKQEQXWAISSP-BLLLJJGKSA-N -1 3 337.803 2.963 10 10 EFCEHM CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184685425 474584042 /nfs/dbraw/zinc/58/40/42/474584042.db2.gz WDJLHJRJXSJRFP-AWEZNQCLSA-N -1 3 340.851 2.935 10 10 EFCEHM COc1cc(Cl)cc(CN2CC[C@](O)(C(F)(F)F)C2)c1[O-] ZINC000184697872 474588099 /nfs/dbraw/zinc/58/80/99/474588099.db2.gz IEMRZLJELRMQDB-GFCCVEGCSA-N -1 3 325.714 2.553 10 10 EFCEHM C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273595040 474980846 /nfs/dbraw/zinc/98/08/46/474980846.db2.gz QEERVDDFQFGCBF-BLLLJJGKSA-N -1 3 341.367 2.757 10 10 EFCEHM COc1cc(Cl)cc(CN(C)Cc2nc([C@@H](C)OC)no2)c1[O-] ZINC000273694704 475016901 /nfs/dbraw/zinc/01/69/01/475016901.db2.gz CAXQLZPWHCQAJK-SECBINFHSA-N -1 3 341.795 2.777 10 10 EFCEHM C[C@H]1OCC[C@]12CN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H](C)O2 ZINC000294518059 475070353 /nfs/dbraw/zinc/07/03/53/475070353.db2.gz CHZPTTYKXHLHRM-UVWXRNBGSA-N -1 3 329.799 2.953 10 10 EFCEHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000295521295 475127602 /nfs/dbraw/zinc/12/76/02/475127602.db2.gz ZYVDWZGBJZOOKD-UKRRQHHQSA-N -1 3 349.855 2.972 10 10 EFCEHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cccc(Cl)c1[O-] ZINC000373580237 476416416 /nfs/dbraw/zinc/41/64/16/476416416.db2.gz BVAVBGCADCMKDM-STQMWFEESA-N -1 3 327.808 2.588 10 10 EFCEHM Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000375262975 476745421 /nfs/dbraw/zinc/74/54/21/476745421.db2.gz YZEKZSMOGYFFIT-OAHLLOKOSA-N -1 3 335.835 2.969 10 10 EFCEHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000370367985 476776836 /nfs/dbraw/zinc/77/68/36/476776836.db2.gz RIGHXMYKPRAGHU-KGLIPLIRSA-N -1 3 327.808 2.506 10 10 EFCEHM Cc1ccc(C(=O)N2CCCN(c3ccccc3F)CC2)c([O-])c1O ZINC000376488028 477359209 /nfs/dbraw/zinc/35/92/09/477359209.db2.gz YLNVLXSONAHAFJ-UHFFFAOYSA-N -1 3 344.386 2.898 10 10 EFCEHM CCO[C@@]1(C)C[C@H]1NC(=O)NCc1cc(Br)ccc1[O-] ZINC000528208589 478680876 /nfs/dbraw/zinc/68/08/76/478680876.db2.gz FIBZOTPDNZRHOD-OCCSQVGLSA-N -1 3 343.221 2.521 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[O-] ZINC000528788069 478934442 /nfs/dbraw/zinc/93/44/42/478934442.db2.gz OUVFFWFDCWCIEK-ALLJEULLSA-N -1 3 341.860 2.734 10 10 EFCEHM CC1(N2CCOCC2)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000529663355 479237973 /nfs/dbraw/zinc/23/79/73/479237973.db2.gz KIMKQUSJVBRRSB-UHFFFAOYSA-N -1 3 342.842 2.871 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nccn2CC(C)C)c1 ZINC000756596487 575766609 /nfs/dbraw/zinc/76/66/09/575766609.db2.gz DRQFLGKUKRFKTJ-CYBMUJFWSA-N -1 3 331.416 2.882 10 10 EFCEHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000762921082 576347137 /nfs/dbraw/zinc/34/71/37/576347137.db2.gz PEQAOJNSIXGFRE-CMPLNLGQSA-N -1 3 340.445 2.829 10 10 EFCEHM C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768448312 577274655 /nfs/dbraw/zinc/27/46/55/577274655.db2.gz BTSXAESHNBIJMP-ORPRQENYSA-N -1 3 341.407 2.780 10 10 EFCEHM CCOC(=O)CN(Cc1cc(Cl)cc(OC)c1[O-])C1CCC1 ZINC000768531124 577281063 /nfs/dbraw/zinc/28/10/63/577281063.db2.gz UMDGEIMDAUUYDL-UHFFFAOYSA-N -1 3 327.808 2.972 10 10 EFCEHM COc1cccc([O-])c1CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000769328978 577352644 /nfs/dbraw/zinc/35/26/44/577352644.db2.gz IMYCGTQLHGKYJV-MRXNPFEDSA-N -1 3 326.396 2.638 10 10 EFCEHM COc1cccc([O-])c1CN(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000769414411 577360804 /nfs/dbraw/zinc/36/08/04/577360804.db2.gz USEUNULFHCPURZ-INIZCTEOSA-N -1 3 344.386 2.777 10 10 EFCEHM CCOc1ccc(CN2CC[S@@](=O)C(CC)(CC)C2)c([O-])c1 ZINC000769554894 577372132 /nfs/dbraw/zinc/37/21/32/577372132.db2.gz BTWWDOYVUOBIOH-JOCHJYFZSA-N -1 3 325.474 2.914 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CO)c2ccsc2)c1[O-] ZINC000769936246 577394177 /nfs/dbraw/zinc/39/41/77/577394177.db2.gz VCFHJOYHSIKPRW-LLVKDONJSA-N -1 3 328.777 2.839 10 10 EFCEHM COc1c([O-])c([C@@H]2NC(=O)c3ccc(Cl)cc3N2)ccc1[N+](=O)[O-] ZINC000772179533 581293042 /nfs/dbraw/zinc/29/30/42/581293042.db2.gz UPOUMZOOZLOMOC-AWEZNQCLSA-N -1 3 349.730 2.817 10 10 EFCEHM Cc1nc([C@H]2CCCN2Cc2cc3c(cc2[O-])OC[C@H]3O)cs1 ZINC000774595810 581494959 /nfs/dbraw/zinc/49/49/59/581494959.db2.gz RRDRZYADBVECSV-GDBMZVCRSA-N -1 3 332.425 2.920 10 10 EFCEHM CC[C@H]([NH2+]Cc1nnc(COC)[n-]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850514748 1250517796 /nfs/dbraw/zinc/51/77/96/1250517796.db2.gz QEHNJQGWZZLTKA-NSHDSACASA-N -1 3 344.337 2.916 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000921696994 1261169073 /nfs/dbraw/zinc/16/90/73/1261169073.db2.gz FDNAZEPWOSLMEC-MRVWCRGKSA-N -1 3 342.461 2.710 10 10 EFCEHM CC(C)[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1ccnn1C ZINC000922146589 1264532116 /nfs/dbraw/zinc/53/21/16/1264532116.db2.gz VISPTRNAMHGIET-GFCCVEGCSA-N -1 3 334.395 2.504 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN2CC[C@@](O)(C(F)F)C2)c1 ZINC000824726610 1278263958 /nfs/dbraw/zinc/26/39/58/1278263958.db2.gz POSDYOBLEGWQHU-ZDUSSCGKSA-N -1 3 336.176 2.665 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000922729773 1266699046 /nfs/dbraw/zinc/69/90/46/1266699046.db2.gz UPXPMUDTNATDLK-CXAGYDPISA-N -1 3 345.374 2.646 10 10 EFCEHM CCOC(=O)c1ccc(C(=O)[N-]c2c3nonc3ccc2Cl)nc1 ZINC001128603802 1268933596 /nfs/dbraw/zinc/93/35/96/1268933596.db2.gz NSUGKLYGIHZURG-UHFFFAOYSA-N -1 3 346.730 2.700 10 10 EFCEHM O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(O)c1[O-] ZINC001143633964 1278614862 /nfs/dbraw/zinc/61/48/62/1278614862.db2.gz FVLUCKDZVIEZMU-UHFFFAOYSA-N -1 3 348.786 2.840 10 10 EFCEHM CCOC(=O)[C@@H](CCOC(C)(C)C)NCc1cc(F)ccc1[O-] ZINC000789578004 1276824244 /nfs/dbraw/zinc/82/42/44/1276824244.db2.gz PDMCRHQUURUCDG-CQSZACIVSA-N -1 3 327.396 2.758 10 10 EFCEHM COC(=O)C(C)(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790890211 1277832243 /nfs/dbraw/zinc/83/22/43/1277832243.db2.gz HWNWPKVAHFOOBF-INIZCTEOSA-N -1 3 343.379 2.768 10 10 EFCEHM [O-]c1ccc2ccncc2c1CN1CCn2c(CC3CC3)nnc2C1 ZINC000844718240 1279197449 /nfs/dbraw/zinc/19/74/49/1279197449.db2.gz DOIREKKXBFFAFK-UHFFFAOYSA-N -1 3 335.411 2.500 10 10 EFCEHM CCOC(CN(CC)Cc1cc(F)cc(C(C)=O)c1[O-])OCC ZINC000846969556 1280669651 /nfs/dbraw/zinc/66/96/51/1280669651.db2.gz IDHQDGJNRKCGTD-UHFFFAOYSA-N -1 3 327.396 2.955 10 10 EFCEHM COC(=O)c1ccccc1CCC(=O)NCc1c([O-])cccc1F ZINC001178413066 1288780597 /nfs/dbraw/zinc/78/05/97/1288780597.db2.gz MRMMHGXKHZOEMZ-UHFFFAOYSA-N -1 3 331.343 2.567 10 10 EFCEHM COC(=O)c1ccc(CCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001178413467 1288780662 /nfs/dbraw/zinc/78/06/62/1288780662.db2.gz SHJFAUSNOAIXDG-UHFFFAOYSA-N -1 3 331.343 2.567 10 10 EFCEHM [O-]c1ccc(Br)cc1CNCc1cn(C2CCC2)nn1 ZINC000825893366 1290983847 /nfs/dbraw/zinc/98/38/47/1290983847.db2.gz XMLDKZLARUGDCJ-UHFFFAOYSA-N -1 3 337.221 2.761 10 10 EFCEHM CNC(=O)C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000795849058 1291554391 /nfs/dbraw/zinc/55/43/91/1291554391.db2.gz DRZWUFXZTDZKPC-WBMJQRKESA-N -1 3 343.383 2.828 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000852603087 1299777909 /nfs/dbraw/zinc/77/79/09/1299777909.db2.gz QZJAPZPYSDSDGZ-XLKFXECMSA-N -1 3 335.297 2.886 10 10 EFCEHM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c(O)c1 ZINC000795358645 1300846951 /nfs/dbraw/zinc/84/69/51/1300846951.db2.gz QOOAZLMVRPUNOY-UHFFFAOYSA-N -1 3 345.779 2.672 10 10 EFCEHM Cc1cc([O-])c(CNC(c2ccnn2C)c2ccnn2C)cc1Cl ZINC000862541201 1302411106 /nfs/dbraw/zinc/41/11/06/1302411106.db2.gz QMLUTCIJDLRARO-UHFFFAOYSA-N -1 3 345.834 2.700 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2ccccc2F)CC1 ZINC000870245232 1305222603 /nfs/dbraw/zinc/22/26/03/1305222603.db2.gz MOBDGDSHBLMSGA-UHFFFAOYSA-N -1 3 331.343 2.921 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CC(C3CCOCC3)C2)c1[O-] ZINC000800529807 1308059144 /nfs/dbraw/zinc/05/91/44/1308059144.db2.gz GAVVENGONAMYMR-UHFFFAOYSA-N -1 3 326.780 2.812 10 10 EFCEHM CC(=O)c1ccc(CCNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001251700854 1315368288 /nfs/dbraw/zinc/36/82/88/1315368288.db2.gz NWBMBWNZVHRWLF-UHFFFAOYSA-N -1 3 330.359 2.776 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NCc1c(F)cc(F)cc1F ZINC001255153497 1315784164 /nfs/dbraw/zinc/78/41/64/1315784164.db2.gz IKQFYOUARDDDSP-UHFFFAOYSA-N -1 3 328.265 2.948 10 10 EFCEHM [O-]c1c(Br)cccc1CNCc1cc2n(n1)CCCC2 ZINC000848906580 1334977342 /nfs/dbraw/zinc/97/73/42/1334977342.db2.gz AUGTWSFBPNWMHA-UHFFFAOYSA-N -1 3 336.233 2.977 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@@H](O)c1ccc(Cl)cc1F ZINC001471975896 1397229424 /nfs/dbraw/zinc/22/94/24/1397229424.db2.gz LSDUFAJJAAGMPL-AWEZNQCLSA-N -1 3 327.714 2.674 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@H](O)c1ccc(Cl)cc1F ZINC001471975897 1397229480 /nfs/dbraw/zinc/22/94/80/1397229480.db2.gz LSDUFAJJAAGMPL-CQSZACIVSA-N -1 3 327.714 2.674 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cc2c(cc1Cl)NC(=O)C2 ZINC001471976193 1397229731 /nfs/dbraw/zinc/22/97/31/1397229731.db2.gz SRBWQRHDQSCXQM-UHFFFAOYSA-N -1 3 334.734 2.609 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccccc2[C@H]2CCC(=O)N2)c([O-])c1O ZINC001557735863 1415141139 /nfs/dbraw/zinc/14/11/39/1415141139.db2.gz OKKDAAQWURZWIT-CQSZACIVSA-N -1 3 326.352 2.610 10 10 EFCEHM Cc1ccc(C2=NO[C@H](C(=O)NCc3c([O-])cccc3F)C2)cc1 ZINC001558457903 1415181065 /nfs/dbraw/zinc/18/10/65/1415181065.db2.gz YVIRXGSGGSWDSI-KRWDZBQOSA-N -1 3 328.343 2.649 10 10 EFCEHM O=C(NCc1ccccc1O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001566373953 1415544290 /nfs/dbraw/zinc/54/42/90/1415544290.db2.gz NRBZKQDZNYZTAT-UHFFFAOYSA-N -1 3 328.755 2.817 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc(C2N=NC(=S)O2)cc1 ZINC001646033711 1416604079 /nfs/dbraw/zinc/60/40/79/1416604079.db2.gz BZEMYDQLMUTFGY-UHFFFAOYSA-N -1 3 345.355 2.800 10 10 EFCEHM Cn1ncc(NCc2cc(Br)ccc2[O-])c(Cl)c1=O ZINC000804828086 713488158 /nfs/dbraw/zinc/48/81/58/713488158.db2.gz HRQVEJIJTINYRM-UHFFFAOYSA-N -1 3 344.596 2.514 10 10 EFCEHM COc1nnc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[n-]1 ZINC000179374444 717447010 /nfs/dbraw/zinc/44/70/10/717447010.db2.gz QWQPGCOIZICGQX-UHFFFAOYSA-N -1 3 329.335 2.612 10 10 EFCEHM COc1nc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n[n-]1 ZINC000179374444 717447012 /nfs/dbraw/zinc/44/70/12/717447012.db2.gz QWQPGCOIZICGQX-UHFFFAOYSA-N -1 3 329.335 2.612 10 10 EFCEHM COc1n[n-]c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000179374444 717447016 /nfs/dbraw/zinc/44/70/16/717447016.db2.gz QWQPGCOIZICGQX-UHFFFAOYSA-N -1 3 329.335 2.612 10 10 EFCEHM O=C(NC1CCCCC1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179923960 719873739 /nfs/dbraw/zinc/87/37/39/719873739.db2.gz UBOZEARGMCXZGS-UHFFFAOYSA-N -1 3 335.423 2.691 10 10 EFCEHM NC(=O)C[C@@H]1CCCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000893978489 720194007 /nfs/dbraw/zinc/19/40/07/720194007.db2.gz UETQVFQGROYSBE-NSHDSACASA-N -1 3 345.212 2.524 10 10 EFCEHM Cc1c(CN(C)Cc2cc(Br)cc(F)c2[O-])cnn1C ZINC000894594658 722793344 /nfs/dbraw/zinc/79/33/44/722793344.db2.gz BMMNEJHTPLAJFW-UHFFFAOYSA-N -1 3 342.212 2.968 10 10 EFCEHM [O-]c1c(Cl)cccc1CN1CCc2nc[nH]c2C12CCOCC2 ZINC000895071455 723179571 /nfs/dbraw/zinc/17/95/71/723179571.db2.gz ODLKRDVUZVYLJH-UHFFFAOYSA-N -1 3 333.819 2.833 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)NC[C@H]1OCCc2ccccc21 ZINC000918440086 728880556 /nfs/dbraw/zinc/88/05/56/728880556.db2.gz MTMGHFHLONRADV-QGZVFWFLSA-N -1 3 330.359 2.645 10 10 EFCEHM COC(=O)[C@](C)(CCF)NCc1ccc(Br)cc1[O-] ZINC000827353042 725589361 /nfs/dbraw/zinc/58/93/61/725589361.db2.gz XFSAPBVPZOXNQP-ZDUSSCGKSA-N -1 3 334.185 2.536 10 10 EFCEHM O=C(N[C@@H](c1ccccc1)C1(CO)CC=CC1)c1cccc(O)c1[O-] ZINC000911847380 727610733 /nfs/dbraw/zinc/61/07/33/727610733.db2.gz VNCQCFOYTXAQGD-SFHVURJKSA-N -1 3 339.391 2.898 10 10 EFCEHM Cc1csc([C@H](NC(=O)c2cccc(O)c2[O-])C(F)(F)F)n1 ZINC001569812534 1085631479 /nfs/dbraw/zinc/63/14/79/1085631479.db2.gz NIQZKNRCSZSDNY-JTQLQIEISA-N -1 3 332.303 2.896 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccnn2-c2ccc(F)cc2)c([O-])c1O ZINC001587612110 1092830724 /nfs/dbraw/zinc/83/07/24/1092830724.db2.gz SZYFPRLDKSIPQF-UHFFFAOYSA-N -1 3 327.315 2.983 10 10 EFCEHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])n(Cc2ccccn2)n1 ZINC001629281914 1100189935 /nfs/dbraw/zinc/18/99/35/1100189935.db2.gz NENGUPVEPSBHHK-UHFFFAOYSA-N -1 3 338.367 2.607 10 10 EFCEHM Cc1c(C(=O)NCc2c([O-])cccc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001635360512 1100656538 /nfs/dbraw/zinc/65/65/38/1100656538.db2.gz NRPNCEVOAACMIN-UHFFFAOYSA-N -1 3 349.274 2.586 10 10 EFCEHM O=C(CCn1sc2ccccc2c1=O)NCc1c([O-])cccc1F ZINC001638866591 1100891866 /nfs/dbraw/zinc/89/18/66/1100891866.db2.gz FSJDQRVDGFGABG-UHFFFAOYSA-N -1 3 346.383 2.614 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1ccc(OCC(F)(F)F)nc1 ZINC001638863390 1100893123 /nfs/dbraw/zinc/89/31/23/1100893123.db2.gz NHCIRYMIOYULPG-UHFFFAOYSA-N -1 3 344.264 2.797 10 10 EFCEHM CN(C(=O)c1cccc(O)c1[O-])[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001639603772 1100966736 /nfs/dbraw/zinc/96/67/36/1100966736.db2.gz YUCLRADEAKNCJV-OAHLLOKOSA-N -1 3 341.342 2.822 10 10 EFCEHM O=C(Cc1cc(Cl)cc2c1OCC2)NCc1c([O-])cccc1F ZINC001652298910 1101470761 /nfs/dbraw/zinc/47/07/61/1101470761.db2.gz TYZZHEGPQMDFPK-UHFFFAOYSA-N -1 3 335.762 2.979 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cccc(Cn2ccnc2)c1 ZINC001652298978 1101471636 /nfs/dbraw/zinc/47/16/36/1101471636.db2.gz WVJMGMLURHHIFZ-UHFFFAOYSA-N -1 3 325.343 2.706 10 10 EFCEHM CO[C@@H](C)c1noc(CN(C)Cc2c([O-])ccc3ccncc32)n1 ZINC000748092274 1101739890 /nfs/dbraw/zinc/73/98/90/1101739890.db2.gz CNVOQTDCPCOOFH-NSHDSACASA-N -1 3 328.372 2.663 10 10 EFCEHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C)CN1CCO ZINC000841890741 1105843577 /nfs/dbraw/zinc/84/35/77/1105843577.db2.gz FHJKAILVKYIYJR-GHMZBOCLSA-N -1 3 333.259 2.586 10 10 EFCEHM CC(=O)N1CCc2c1cccc2NC(=O)NCc1c([O-])cccc1F ZINC001676691222 1106559712 /nfs/dbraw/zinc/55/97/12/1106559712.db2.gz USQGFTPFBOCBIJ-UHFFFAOYSA-N -1 3 343.358 2.762 10 10 EFCEHM COC(=O)[C@@H](C)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC001299249663 1120738123 /nfs/dbraw/zinc/73/81/23/1120738123.db2.gz KNBKHYPBFYTBHN-NSHDSACASA-N -1 3 329.352 2.935 10 10 EFCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000193092471 240085578 /nfs/dbraw/zinc/08/55/78/240085578.db2.gz ZNXLUGVTTVYLQL-BZNIZROVSA-N -1 3 331.343 2.839 10 10 EFCEHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1N1CCOCC1 ZINC000245771577 240262308 /nfs/dbraw/zinc/26/23/08/240262308.db2.gz RXIYIIJCMYBIGV-XHDPSFHLSA-N -1 3 345.270 2.852 10 10 EFCEHM Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c([O-])c1O ZINC000248415192 240290015 /nfs/dbraw/zinc/29/00/15/240290015.db2.gz NUCNHRZYXACVJQ-HOTGVXAUSA-N -1 3 326.396 2.581 10 10 EFCEHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000248806901 240296339 /nfs/dbraw/zinc/29/63/39/240296339.db2.gz GYVIZCKLAPHNDM-XFJVYGCCSA-N -1 3 335.375 2.507 10 10 EFCEHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000280498391 240873191 /nfs/dbraw/zinc/87/31/91/240873191.db2.gz CLODWXQXKSKGMF-UHFFFAOYSA-N -1 3 337.397 2.990 10 10 EFCEHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000295521297 241054482 /nfs/dbraw/zinc/05/44/82/241054482.db2.gz ZYVDWZGBJZOOKD-ZFWWWQNUSA-N -1 3 349.855 2.972 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@H](c2nc[nH]n2)c2ccccc2)c1[O-] ZINC000363886993 242285965 /nfs/dbraw/zinc/28/59/65/242285965.db2.gz ZDUATVSOLVBURQ-INIZCTEOSA-N -1 3 340.358 2.731 10 10 EFCEHM CC(=O)c1cc(F)cc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1[O-] ZINC000363886993 242285972 /nfs/dbraw/zinc/28/59/72/242285972.db2.gz ZDUATVSOLVBURQ-INIZCTEOSA-N -1 3 340.358 2.731 10 10 EFCEHM CS(=O)(=O)CC[C@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000366534752 242355110 /nfs/dbraw/zinc/35/51/10/242355110.db2.gz LQWWCKYKWLGWJA-CQSZACIVSA-N -1 3 331.865 2.835 10 10 EFCEHM CN(c1cccnn1)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180080293 289786268 /nfs/dbraw/zinc/78/62/68/289786268.db2.gz MUQLNJANQMCMCJ-UHFFFAOYSA-N -1 3 332.835 2.936 10 10 EFCEHM Cc1cc(C)n(CC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)n1 ZINC000096003841 473252501 /nfs/dbraw/zinc/25/25/01/473252501.db2.gz NPHOUJLTNAOBSF-UHFFFAOYSA-N -1 3 343.427 2.772 10 10 EFCEHM CCOC(CC)=c1c(=O)n(-c2ccc(F)cc2)[n-]c1=CC(=O)OC ZINC000045221297 472383919 /nfs/dbraw/zinc/38/39/19/472383919.db2.gz UVDZLHPQWFPJIF-PEZBUJJGSA-N -1 3 334.347 2.792 10 10 EFCEHM O=C1CCCN1c1cccc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000071792525 472565893 /nfs/dbraw/zinc/56/58/93/472565893.db2.gz GHQLSRNRMKPHIY-UHFFFAOYSA-N -1 3 341.367 2.717 10 10 EFCEHM O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000186812559 473760705 /nfs/dbraw/zinc/76/07/05/473760705.db2.gz LQLWCCOMAVHYTF-CYBMUJFWSA-N -1 3 340.379 2.589 10 10 EFCEHM COc1ccc(N2CCCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000182152769 474110341 /nfs/dbraw/zinc/11/03/41/474110341.db2.gz PRLMRKKFIZWLFS-UHFFFAOYSA-N -1 3 326.396 2.753 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCCN(c3ccccn3)CC2)c1[O-] ZINC000183804998 474432086 /nfs/dbraw/zinc/43/20/86/474432086.db2.gz LQIAJUHTEJKAKO-UHFFFAOYSA-N -1 3 343.402 2.841 10 10 EFCEHM COCC(=O)N1CCc2c1cccc2NCc1cc(F)ccc1[O-] ZINC000184127699 474475815 /nfs/dbraw/zinc/47/58/15/474475815.db2.gz HWKCLVLXSSROJP-UHFFFAOYSA-N -1 3 330.359 2.679 10 10 EFCEHM COc1cc(Cl)cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1[O-] ZINC000248897907 474477003 /nfs/dbraw/zinc/47/70/03/474477003.db2.gz VTVQTOXKTFBPHZ-SOUVJXGZSA-N -1 3 341.835 2.823 10 10 EFCEHM [O-]c1cccc(Cl)c1CN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000271379816 474517512 /nfs/dbraw/zinc/51/75/12/474517512.db2.gz RGYKQEQXWAISSP-WBMJQRKESA-N -1 3 337.803 2.963 10 10 EFCEHM COc1c([O-])c(CN2CCC(OCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278286639 474606700 /nfs/dbraw/zinc/60/67/00/474606700.db2.gz UJQFLBVDEWNAQI-UHFFFAOYSA-N -1 3 338.404 2.946 10 10 EFCEHM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cccc(O)c1[O-] ZINC000279025614 474955525 /nfs/dbraw/zinc/95/55/25/474955525.db2.gz CMYXWLSVPZKTSB-GJZGRUSLSA-N -1 3 341.363 2.617 10 10 EFCEHM C[C@H]1OCC[C@@]12CN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H](C)O2 ZINC000294518047 475070675 /nfs/dbraw/zinc/07/06/75/475070675.db2.gz CHZPTTYKXHLHRM-GLKRBJQHSA-N -1 3 329.799 2.953 10 10 EFCEHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)ccc1[O-] ZINC000373587212 476416064 /nfs/dbraw/zinc/41/60/64/476416064.db2.gz WFLMQHTULHOZPY-KBPBESRZSA-N -1 3 327.808 2.588 10 10 EFCEHM Cc1cc(Br)cc(CN2CC(F)(F)C[C@@H]2CO)c1[O-] ZINC000364664235 476538484 /nfs/dbraw/zinc/53/84/84/476538484.db2.gz VMIKDLOQJAKPOX-LLVKDONJSA-N -1 3 336.176 2.665 10 10 EFCEHM Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000371676808 477438874 /nfs/dbraw/zinc/43/88/74/477438874.db2.gz PCXPSSUXEQCZKE-ZDUSSCGKSA-N -1 3 331.372 2.855 10 10 EFCEHM Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)c([O-])c1O ZINC000371677216 477439095 /nfs/dbraw/zinc/43/90/95/477439095.db2.gz RTQGGMXDYBCADO-GDBMZVCRSA-N -1 3 327.380 2.914 10 10 EFCEHM COc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])c(OC)c1 ZINC000529835605 477847185 /nfs/dbraw/zinc/84/71/85/477847185.db2.gz QTKJDDFDPQNJPA-NSHDSACASA-N -1 3 331.368 2.914 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccc(=O)[nH]n2)c1[O-] ZINC000528790921 478935896 /nfs/dbraw/zinc/93/58/96/478935896.db2.gz NNFLKQSODBOZSR-HNNXBMFYSA-N -1 3 331.347 2.567 10 10 EFCEHM O=C(NCc1cc(Br)ccc1[O-])c1cnn(C2CC2)c1 ZINC000529384851 479143193 /nfs/dbraw/zinc/14/31/93/479143193.db2.gz FMUSQKWPJYOSSI-UHFFFAOYSA-N -1 3 336.189 2.616 10 10 EFCEHM CCn1ncc(CNCc2ccc(OCc3ccccc3)cc2[O-])n1 ZINC000529638151 479232103 /nfs/dbraw/zinc/23/21/03/479232103.db2.gz GVHLDUVTXGRFAR-UHFFFAOYSA-N -1 3 338.411 2.872 10 10 EFCEHM Cc1cc([O-])c(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(Cl)c1 ZINC000529677010 479245196 /nfs/dbraw/zinc/24/51/96/479245196.db2.gz OVTNTMCPEUMKQS-NEPJUHHUSA-N -1 3 329.849 2.506 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000177189315 527206057 /nfs/dbraw/zinc/20/60/57/527206057.db2.gz UUXYXKMRSCFMGI-GFCCVEGCSA-N -1 3 333.819 2.971 10 10 EFCEHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@]2(CCOC2)O1 ZINC000366566493 536153852 /nfs/dbraw/zinc/15/38/52/536153852.db2.gz AGYFSIOVQDEFKB-YJBOKZPZSA-N -1 3 337.391 2.504 10 10 EFCEHM C[C@@H](NCc1ccn(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000756777264 575786169 /nfs/dbraw/zinc/78/61/69/575786169.db2.gz HLDNHBINNAEEBU-MRVPVSSYSA-N -1 3 328.185 2.878 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(-c3ccncc3)c2)c1 ZINC000756868842 575794977 /nfs/dbraw/zinc/79/49/77/575794977.db2.gz XCSWWJBMOLRNGZ-LBPRGKRZSA-N -1 3 338.367 2.933 10 10 EFCEHM COC(=O)c1cc2ccccc2c(CN2CCO[C@@H](C)[C@@H]2C)c1[O-] ZINC000765098059 577006734 /nfs/dbraw/zinc/00/67/34/577006734.db2.gz CQJJDYZODKGNPS-STQMWFEESA-N -1 3 329.396 2.941 10 10 EFCEHM COc1cccc([O-])c1CN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000768265390 577263606 /nfs/dbraw/zinc/26/36/06/577263606.db2.gz YSVXASBXZHRUJR-UHFFFAOYSA-N -1 3 347.459 2.561 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]3COCC[C@@H]32)c1[O-] ZINC000770285313 577410035 /nfs/dbraw/zinc/41/00/35/577410035.db2.gz FRDMFZGEPRQJQO-MFKMUULPSA-N -1 3 326.780 2.955 10 10 EFCEHM CCOc1ccc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000770350475 577412250 /nfs/dbraw/zinc/41/22/50/577412250.db2.gz HLCUBSRXFRMXPS-CRAIPNDOSA-N -1 3 347.411 2.708 10 10 EFCEHM CC(C)Oc1cc(CNC(=O)NCc2c([O-])cccc2F)ccn1 ZINC000921608038 1257527059 /nfs/dbraw/zinc/52/70/59/1257527059.db2.gz QKZMVUSBWDSDCZ-UHFFFAOYSA-N -1 3 333.363 2.713 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000921641137 1257965568 /nfs/dbraw/zinc/96/55/68/1257965568.db2.gz VTFCIVBZIRDYFS-LYRGGWFBSA-N -1 3 334.391 2.678 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000921696992 1261168526 /nfs/dbraw/zinc/16/85/26/1261168526.db2.gz FDNAZEPWOSLMEC-BNOWGMLFSA-N -1 3 342.461 2.710 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000923347824 1261512537 /nfs/dbraw/zinc/51/25/37/1261512537.db2.gz XRVRPNFBDFXHSL-OAUYIBNBSA-N -1 3 330.334 2.808 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000923502148 1261781901 /nfs/dbraw/zinc/78/19/01/1261781901.db2.gz XMDXBFCSZYNVTD-WBVHZDCISA-N -1 3 330.359 2.861 10 10 EFCEHM CO[C@H](CNC(=O)NCc1c([O-])cccc1F)Cc1ccccc1 ZINC000922668139 1266555323 /nfs/dbraw/zinc/55/53/23/1266555323.db2.gz CMAQDTHPYJPMOV-AWEZNQCLSA-N -1 3 332.375 2.588 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000922731032 1266700674 /nfs/dbraw/zinc/70/06/74/1266700674.db2.gz NOIOCRPLIFFUEZ-CXAGYDPISA-N -1 3 345.374 2.646 10 10 EFCEHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825123660 1278419784 /nfs/dbraw/zinc/41/97/84/1278419784.db2.gz BKMUKUIYIQBUQA-JVXZTZIISA-N -1 3 327.705 2.930 10 10 EFCEHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825123661 1278419990 /nfs/dbraw/zinc/41/99/90/1278419990.db2.gz BKMUKUIYIQBUQA-KRTXAFLBSA-N -1 3 327.705 2.930 10 10 EFCEHM CCN(CC)c1ccc(CNC(=O)NCc2ncccc2[O-])cc1 ZINC000792040718 1278537825 /nfs/dbraw/zinc/53/78/25/1278537825.db2.gz OSFDBFPSYWQVQI-UHFFFAOYSA-N -1 3 328.416 2.633 10 10 EFCEHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1(F)CC1 ZINC000843831131 1275416008 /nfs/dbraw/zinc/41/60/08/1275416008.db2.gz MRTPFXXRRPEFAL-CYBMUJFWSA-N -1 3 326.799 2.628 10 10 EFCEHM C[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccc(F)cc1[O-] ZINC000788606635 1276237725 /nfs/dbraw/zinc/23/77/25/1276237725.db2.gz BFGHXOZQSFIEIU-LBPRGKRZSA-N -1 3 343.402 2.548 10 10 EFCEHM COc1ccc(OC)c(CN(C(=O)c2cccc(O)c2[O-])C2CC2)c1 ZINC000790524896 1277630164 /nfs/dbraw/zinc/63/01/64/1277630164.db2.gz DOVNNAKUQOXTSI-UHFFFAOYSA-N -1 3 343.379 2.920 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846359149 1280132474 /nfs/dbraw/zinc/13/24/74/1280132474.db2.gz QONNMGHWBDSYRY-SFHVURJKSA-N -1 3 347.798 2.875 10 10 EFCEHM Cn1ncc(C(=O)NCc2c([O-])cccc2F)c1Cc1ccccc1 ZINC001178412865 1288780293 /nfs/dbraw/zinc/78/02/93/1288780293.db2.gz IOKLVPGQLMUYBW-UHFFFAOYSA-N -1 3 339.370 2.786 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001178413347 1288780317 /nfs/dbraw/zinc/78/03/17/1288780317.db2.gz QXDOJLMVCLDRLS-CHWSQXEVSA-N -1 3 330.315 2.859 10 10 EFCEHM [O-]c1cc(Br)ccc1CN1CCN(CC(F)F)CC1 ZINC000824633138 1289732564 /nfs/dbraw/zinc/73/25/64/1289732564.db2.gz YGOWPIANLPVYBN-UHFFFAOYSA-N -1 3 335.192 2.537 10 10 EFCEHM COc1cc(NCc2cc(C)cc(Br)c2[O-])nn1C ZINC000775326417 1291907684 /nfs/dbraw/zinc/90/76/84/1291907684.db2.gz FEPPUCBHTVAKRR-UHFFFAOYSA-N -1 3 326.194 2.817 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@](C)(C(F)(F)F)C2)c1[O-] ZINC000879505252 1292161414 /nfs/dbraw/zinc/16/14/14/1292161414.db2.gz WTRBEGKASHTQDB-CQSZACIVSA-N -1 3 335.297 2.887 10 10 EFCEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775409763 1292300418 /nfs/dbraw/zinc/30/04/18/1292300418.db2.gz GUDUCSLNSLJORZ-GFCCVEGCSA-N -1 3 341.411 2.908 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)COCCO3)c1[O-] ZINC000880542186 1292540159 /nfs/dbraw/zinc/54/01/59/1292540159.db2.gz TZLKDCMLWPERCQ-UHFFFAOYSA-N -1 3 339.819 2.630 10 10 EFCEHM [O-]c1c(F)cc(Cl)cc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000775679241 1294103824 /nfs/dbraw/zinc/10/38/24/1294103824.db2.gz RUTBONSIXWTCCS-OAHLLOKOSA-N -1 3 342.842 2.871 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2Cc3nc(C4CC4)[nH]c(=O)c3C2)c1[O-] ZINC001197467819 1294559019 /nfs/dbraw/zinc/55/90/19/1294559019.db2.gz GMKLOFGMEDREDQ-UHFFFAOYSA-N -1 3 343.358 2.623 10 10 EFCEHM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000776012385 1295681209 /nfs/dbraw/zinc/68/12/09/1295681209.db2.gz GGVFVARSZYFOAQ-OLZOCXBDSA-N -1 3 345.798 2.727 10 10 EFCEHM CCOC(=O)c1[nH]c(C)c(C(=O)NCc2c([O-])cccc2F)c1C ZINC000928710220 1297125532 /nfs/dbraw/zinc/12/55/32/1297125532.db2.gz QIBAUKYXADFBQF-UHFFFAOYSA-N -1 3 334.347 2.583 10 10 EFCEHM CC(=O)N[C@H](CC(=O)NCc1c([O-])cccc1F)c1ccc(C)cc1 ZINC000928709456 1297126294 /nfs/dbraw/zinc/12/62/94/1297126294.db2.gz IMRFAEQNZJNSRZ-QGZVFWFLSA-N -1 3 344.386 2.723 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCO[C@H](C)C1 ZINC000779012931 1297743149 /nfs/dbraw/zinc/74/31/49/1297743149.db2.gz KUXIYSMCIMJIDD-OLZOCXBDSA-N -1 3 341.835 2.836 10 10 EFCEHM NCc1nc2c(s1)CCN(Cc1c([O-])ccc(Cl)c1F)C2 ZINC000903943731 1313460532 /nfs/dbraw/zinc/46/05/32/1313460532.db2.gz AZQOSCXCDDTPHP-UHFFFAOYSA-N -1 3 327.812 2.658 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](OC)C1CCC1 ZINC000851840226 1299427723 /nfs/dbraw/zinc/42/77/23/1299427723.db2.gz COGTVKHIJOQAKA-INIZCTEOSA-N -1 3 341.835 2.836 10 10 EFCEHM [O-]c1cccc(Br)c1CN1CC(CO)(c2ccccc2)C1 ZINC000862394018 1302365948 /nfs/dbraw/zinc/36/59/48/1302365948.db2.gz BLZAYCYLNLKACC-UHFFFAOYSA-N -1 3 348.240 2.901 10 10 EFCEHM C[C@](CO)(NCc1cc(Cl)c(F)cc1[O-])c1cccc(O)c1 ZINC000862432802 1302383676 /nfs/dbraw/zinc/38/36/76/1302383676.db2.gz NSTYXFXGDVPUKZ-MRXNPFEDSA-N -1 3 325.767 2.888 10 10 EFCEHM C[C@@H](NCc1nnc(C2CCOCC2)[nH]1)c1cc(F)cc(F)c1[O-] ZINC000866440497 1303640590 /nfs/dbraw/zinc/64/05/90/1303640590.db2.gz GNBDZEMCIHRHND-SECBINFHSA-N -1 3 338.358 2.533 10 10 EFCEHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000800840056 1308527632 /nfs/dbraw/zinc/52/76/32/1308527632.db2.gz WYLXQLHZJPJODC-UHFFFAOYSA-N -1 3 325.361 2.958 10 10 EFCEHM O=C(NCCCOc1cccc(F)c1)NCc1c([O-])cccc1F ZINC001251481393 1315350339 /nfs/dbraw/zinc/35/03/39/1315350339.db2.gz IANBXPVLYPTTKL-UHFFFAOYSA-N -1 3 336.338 2.939 10 10 EFCEHM CCc1ccc2c(c1)[C@H](CCNC(=O)c1cccc(O)c1[O-])C(=O)N2 ZINC001293558646 1322284669 /nfs/dbraw/zinc/28/46/69/1322284669.db2.gz QNCPOWQKKZEXSG-LBPRGKRZSA-N -1 3 340.379 2.516 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cc(N2CCOC2=O)ccc1F ZINC001303879327 1324625442 /nfs/dbraw/zinc/62/54/42/1324625442.db2.gz XZPPNGVDWSITCA-UHFFFAOYSA-N -1 3 348.305 2.557 10 10 EFCEHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](O)CC2(CCOCC2)C1 ZINC001333734559 1331204574 /nfs/dbraw/zinc/20/45/74/1331204574.db2.gz PCUAYGIQELDKME-NSHDSACASA-N -1 3 329.799 2.548 10 10 EFCEHM CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001352984669 1333846495 /nfs/dbraw/zinc/84/64/95/1333846495.db2.gz DARFNJGQFAIIHB-OAHLLOKOSA-N -1 3 336.407 2.575 10 10 EFCEHM CN(C)c1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC000849344909 1335595432 /nfs/dbraw/zinc/59/54/32/1335595432.db2.gz SGQIRJVAQXBBEI-OLZOCXBDSA-N -1 3 330.350 2.838 10 10 EFCEHM CN(C)c1ccc([C@@H](CNC(=O)c2c([O-])cccc2F)N(C)C)cc1 ZINC001456938847 1394875916 /nfs/dbraw/zinc/87/59/16/1394875916.db2.gz ZMCFWDYVNLDLCY-MRXNPFEDSA-N -1 3 345.418 2.630 10 10 EFCEHM COC(=O)c1cc(C)nc(NCc2c([O-])cccc2F)c1[N+](=O)[O-] ZINC001458625168 1395526231 /nfs/dbraw/zinc/52/62/31/1395526231.db2.gz ZRVPWGASAYIICF-UHFFFAOYSA-N -1 3 335.291 2.542 10 10 EFCEHM CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC001464215185 1396557138 /nfs/dbraw/zinc/55/71/38/1396557138.db2.gz SWPQIFYNLIADPV-LBPRGKRZSA-N -1 3 342.395 2.556 10 10 EFCEHM O=C([N-]Cc1c(O)cccc1O)C(F)(F)c1c(F)cccc1F ZINC001472063448 1397242064 /nfs/dbraw/zinc/24/20/64/1397242064.db2.gz KRMWSTGDNVMDNJ-UHFFFAOYSA-N -1 3 329.249 2.784 10 10 EFCEHM CN(Cc1ccc(N2CCCC2)cc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001472649187 1397265890 /nfs/dbraw/zinc/26/58/90/1397265890.db2.gz VGAHJHUVTYEEQG-UHFFFAOYSA-N -1 3 328.372 2.932 10 10 EFCEHM COC[C@H](CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-])C(C)C ZINC001559607778 1415251262 /nfs/dbraw/zinc/25/12/62/1415251262.db2.gz XHGBCFVQUAXEFB-AWEZNQCLSA-N -1 3 343.851 2.939 10 10 EFCEHM [O-]c1c(Br)cccc1CN1CCC[C@H](n2cncn2)C1 ZINC000179467783 717468173 /nfs/dbraw/zinc/46/81/73/717468173.db2.gz GPCXEXVVEPGRRY-LBPRGKRZSA-N -1 3 337.221 2.583 10 10 EFCEHM Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1c([O-])cccc1F ZINC000928705221 724580845 /nfs/dbraw/zinc/58/08/45/724580845.db2.gz HRFSUNPCAYRBSO-UHFFFAOYSA-N -1 3 333.388 2.726 10 10 EFCEHM CN(CCCC(=O)NCc1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC000928711139 724588059 /nfs/dbraw/zinc/58/80/59/724588059.db2.gz FIQAKBAFMUQNSW-UHFFFAOYSA-N -1 3 340.395 2.795 10 10 EFCEHM CCN(CC)C(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893977892 720194111 /nfs/dbraw/zinc/19/41/11/720194111.db2.gz MVJPAKASVMBBQN-UHFFFAOYSA-N -1 3 326.387 2.751 10 10 EFCEHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836302 724343044 /nfs/dbraw/zinc/34/30/44/724343044.db2.gz KZWDXGUQGDUPJN-GFCCVEGCSA-N -1 3 327.705 2.931 10 10 EFCEHM CC(C)Oc1ncccc1CNC(=O)NCc1c([O-])cccc1F ZINC000914109129 726050080 /nfs/dbraw/zinc/05/00/80/726050080.db2.gz QGHPGSLTXCPBCL-UHFFFAOYSA-N -1 3 333.363 2.713 10 10 EFCEHM C[C@@]1(CNC(=O)NCc2c([O-])cccc2F)OCCc2ccccc21 ZINC000924019422 728991083 /nfs/dbraw/zinc/99/10/83/728991083.db2.gz XFVTYBUOGSRWLX-IBGZPJMESA-N -1 3 344.386 2.819 10 10 EFCEHM CCc1ccc([C@H](COC)NC(=O)NCc2c([O-])cccc2F)o1 ZINC000920339544 729175104 /nfs/dbraw/zinc/17/51/04/729175104.db2.gz JGAGMYSNAIAGJU-AWEZNQCLSA-N -1 3 336.363 2.874 10 10 EFCEHM COc1ccc(O[C@H](C)CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC000920702252 729221677 /nfs/dbraw/zinc/22/16/77/729221677.db2.gz JHHFGZRMQYLAIE-GFCCVEGCSA-N -1 3 348.374 2.807 10 10 EFCEHM O=S(=O)(NCc1c([O-])cccc1F)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000921450547 729460354 /nfs/dbraw/zinc/46/03/54/729460354.db2.gz AOPHZUNZLXEOEV-WBMJQRKESA-N -1 3 339.363 2.646 10 10 EFCEHM C[C@@H](O)C[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000921450045 729460421 /nfs/dbraw/zinc/46/04/21/729460421.db2.gz RAPBYYMCSZKWEI-HIFRSBDPSA-N -1 3 346.402 2.885 10 10 EFCEHM CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175670951 729516729 /nfs/dbraw/zinc/51/67/29/729516729.db2.gz YRCPFDMXQGKCRS-MRXNPFEDSA-N -1 3 336.407 2.567 10 10 EFCEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2cc(O)c(O)cc2s1 ZINC001648438680 1092217875 /nfs/dbraw/zinc/21/78/75/1092217875.db2.gz UDEZXBRTYHXRGE-UHFFFAOYSA-N -1 3 344.274 2.702 10 10 EFCEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2cc(O)c(O)cc2s1 ZINC001648438680 1092217885 /nfs/dbraw/zinc/21/78/85/1092217885.db2.gz UDEZXBRTYHXRGE-UHFFFAOYSA-N -1 3 344.274 2.702 10 10 EFCEHM O=C(N[C@H](CO)c1cccc(Cl)c1Cl)c1cccc(O)c1[O-] ZINC001585056894 1092359652 /nfs/dbraw/zinc/35/96/52/1092359652.db2.gz FBRKPDKWVATUHP-LLVKDONJSA-N -1 3 342.178 2.868 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCc2[nH]cnc2[C@H]1c1ccccc1 ZINC001587078628 1092780849 /nfs/dbraw/zinc/78/08/49/1092780849.db2.gz CVDQLFWGPZYOFM-QGZVFWFLSA-N -1 3 335.363 2.609 10 10 EFCEHM CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(O)c1[O-] ZINC001588093115 1092890272 /nfs/dbraw/zinc/89/02/72/1092890272.db2.gz JXSYIUURPBDXIQ-UHFFFAOYSA-N -1 3 346.358 2.726 10 10 EFCEHM O=C(NCc1ccc(O)c(O)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001595595750 1094478666 /nfs/dbraw/zinc/47/86/66/1094478666.db2.gz KLJRMRQWBDHLLN-UHFFFAOYSA-N -1 3 344.754 2.523 10 10 EFCEHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2c([O-])cccc2F)c1F ZINC001596911952 1094551413 /nfs/dbraw/zinc/55/14/13/1094551413.db2.gz JKPIERYGNYLIOK-UHFFFAOYSA-N -1 3 340.257 2.956 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cncn1-c1ccc(F)cc1 ZINC001596906317 1094551868 /nfs/dbraw/zinc/55/18/68/1094551868.db2.gz CRPQPOWZVSVDFW-UHFFFAOYSA-N -1 3 329.306 2.786 10 10 EFCEHM O=C(Cc1ccc(O)c(O)c1)Nc1cc(Br)ccc1[O-] ZINC001624555642 1099705829 /nfs/dbraw/zinc/70/58/29/1099705829.db2.gz HRIONYCTRMWPSW-UHFFFAOYSA-N -1 3 338.157 2.747 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1cncc(Br)c1 ZINC001635360323 1100656379 /nfs/dbraw/zinc/65/63/79/1100656379.db2.gz JLNFFTFGPRSCRS-UHFFFAOYSA-N -1 3 325.137 2.619 10 10 EFCEHM C[Si](C)(C)c1ccc(CC(=O)NCc2c([O-])cccc2F)cc1 ZINC001638862901 1100892126 /nfs/dbraw/zinc/89/21/26/1100892126.db2.gz IBKYAOLLHGBXNM-UHFFFAOYSA-N -1 3 331.463 2.935 10 10 EFCEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001640924761 1101088847 /nfs/dbraw/zinc/08/88/47/1101088847.db2.gz ULYBURJKWAUMKG-UHFFFAOYSA-N -1 3 346.770 2.806 10 10 EFCEHM CC(=O)c1cc(Cl)cc(CN(C)C2CCS(=O)CC2)c1[O-] ZINC001657574504 1102395145 /nfs/dbraw/zinc/39/51/45/1102395145.db2.gz UQXJSPUEZBQBAV-UHFFFAOYSA-N -1 3 329.849 2.591 10 10 EFCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1c(F)cncc1F ZINC001682403340 1108616702 /nfs/dbraw/zinc/61/67/02/1108616702.db2.gz IYRCLEZMWRTGAU-QMMMGPOBSA-N -1 3 325.290 2.765 10 10 EFCEHM CCC1(CC)CN(Cc2cc(F)cc(C(C)=O)c2[O-])CC[S@@]1=O ZINC000185283517 1119966053 /nfs/dbraw/zinc/96/60/53/1119966053.db2.gz COXJPNZMOBJIHZ-QHCPKHFHSA-N -1 3 341.448 2.857 10 10 EFCEHM CN(C)c1noc(C2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000191908292 240012604 /nfs/dbraw/zinc/01/26/04/240012604.db2.gz ORQFZWMHOUZGEK-UHFFFAOYSA-N -1 3 336.823 2.874 10 10 EFCEHM COC(=O)[C@H]1CC12CCN(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295448819 241052153 /nfs/dbraw/zinc/05/21/53/241052153.db2.gz VEDDEMRSVDCJHU-LLVKDONJSA-N -1 3 327.783 2.960 10 10 EFCEHM CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295484084 241054118 /nfs/dbraw/zinc/05/41/18/241054118.db2.gz XFVQEDWOYFSYNW-HZPDHXFCSA-N -1 3 343.826 2.937 10 10 EFCEHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@]2(CCOC2)O1 ZINC000366566492 242356959 /nfs/dbraw/zinc/35/69/59/242356959.db2.gz AGYFSIOVQDEFKB-QAPCUYQASA-N -1 3 337.391 2.504 10 10 EFCEHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c([O-])c1O ZINC000366850024 242364772 /nfs/dbraw/zinc/36/47/72/242364772.db2.gz RKFDWWAKRGJPDR-DLBZAZTESA-N -1 3 349.390 2.878 10 10 EFCEHM O=C1C[C@H]([C@H]2CCCCN2Cc2c([O-])ccc(Cl)c2F)CN1 ZINC000364470686 242297669 /nfs/dbraw/zinc/29/76/69/242297669.db2.gz DDENKKYMFLAKKZ-GXFFZTMASA-N -1 3 326.799 2.675 10 10 EFCEHM Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000365559564 242329029 /nfs/dbraw/zinc/32/90/29/242329029.db2.gz SLRXHLCHEKKNIX-ZDUSSCGKSA-N -1 3 327.384 2.518 10 10 EFCEHM COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000286109680 291724844 /nfs/dbraw/zinc/72/48/44/291724844.db2.gz YHRLSMORVYDPRC-ZDUSSCGKSA-N -1 3 343.379 2.610 10 10 EFCEHM C[C@@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000185281511 473384610 /nfs/dbraw/zinc/38/46/10/473384610.db2.gz GMBFDGXFZOTFLN-GFCCVEGCSA-N -1 3 349.381 2.753 10 10 EFCEHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccc(N3CCCCC3)nc2)c1 ZINC000071792529 472566120 /nfs/dbraw/zinc/56/61/20/472566120.db2.gz SKHUOIJFXMKUTK-UHFFFAOYSA-N -1 3 342.399 2.976 10 10 EFCEHM COc1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc1NC(C)=O ZINC000071792581 472566461 /nfs/dbraw/zinc/56/64/61/472566461.db2.gz YHKJXTGLNUHNSR-UHFFFAOYSA-N -1 3 345.355 2.557 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000079498222 472873806 /nfs/dbraw/zinc/87/38/06/472873806.db2.gz IQDCQQZQYNMHOM-GFCCVEGCSA-N -1 3 337.391 2.898 10 10 EFCEHM CN(c1cccnn1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093272548 473071170 /nfs/dbraw/zinc/07/11/70/473071170.db2.gz CIUXIYUCDWXDMR-UHFFFAOYSA-N -1 3 332.835 2.936 10 10 EFCEHM Cc1cc(Cl)cc(CN2CCN(C(=O)c3cccnc3)CC2)c1[O-] ZINC000123277976 473120992 /nfs/dbraw/zinc/12/09/92/473120992.db2.gz KZNNGBDGKQNNOZ-UHFFFAOYSA-N -1 3 345.830 2.707 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](Oc3cccnc3)C2)c1[O-] ZINC000152347304 473551326 /nfs/dbraw/zinc/55/13/26/473551326.db2.gz FLJMXXNFWFJKDO-MRXNPFEDSA-N -1 3 330.359 2.782 10 10 EFCEHM [O-]c1ccc(Br)cc1CN1CCC[C@H](n2cncn2)C1 ZINC000179464113 473689368 /nfs/dbraw/zinc/68/93/68/473689368.db2.gz BBWOUNIJUFYJEB-ZDUSSCGKSA-N -1 3 337.221 2.583 10 10 EFCEHM COC(=O)[C@H]1CCCN1Cc1cc(Br)cc(C)c1[O-] ZINC000179660959 473706138 /nfs/dbraw/zinc/70/61/38/473706138.db2.gz DBSWGZXFALJEJC-GFCCVEGCSA-N -1 3 328.206 2.601 10 10 EFCEHM CN1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000187217353 473838632 /nfs/dbraw/zinc/83/86/32/473838632.db2.gz IGQWJCVHCYVTAM-ZBFHGGJFSA-N -1 3 348.349 2.551 10 10 EFCEHM Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c([O-])c1O ZINC000182941828 474292813 /nfs/dbraw/zinc/29/28/13/474292813.db2.gz NUCNHRZYXACVJQ-HZPDHXFCSA-N -1 3 326.396 2.581 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(CO)c(F)c2)c1 ZINC000273419083 474888964 /nfs/dbraw/zinc/88/89/64/474888964.db2.gz RTNBVAHKDCEQLO-NSHDSACASA-N -1 3 333.359 2.661 10 10 EFCEHM COc1cc(Cl)cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000280406318 475023701 /nfs/dbraw/zinc/02/37/01/475023701.db2.gz YFKJRMOUIJFJTA-QGZVFWFLSA-N -1 3 341.835 2.824 10 10 EFCEHM [O-]c1cc(F)c(Cl)cc1CN1CCOCC2(CCOCC2)C1 ZINC000293538305 475027730 /nfs/dbraw/zinc/02/77/30/475027730.db2.gz FQYXRPPLSITAKD-UHFFFAOYSA-N -1 3 329.799 2.814 10 10 EFCEHM COc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1O ZINC000280539895 475033168 /nfs/dbraw/zinc/03/31/68/475033168.db2.gz HTXRZULGPDRLAF-UHFFFAOYSA-N -1 3 337.397 2.989 10 10 EFCEHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)NCc1ccco1 ZINC000293676654 475047575 /nfs/dbraw/zinc/04/75/75/475047575.db2.gz RCKKQQVUKLNFTO-VIFPVBQESA-N -1 3 326.755 2.572 10 10 EFCEHM CC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])C[C@]2(CCOC2)O1 ZINC000294610909 475075185 /nfs/dbraw/zinc/07/51/85/475075185.db2.gz IOJZPSMZCFWNMV-INIZCTEOSA-N -1 3 329.799 2.955 10 10 EFCEHM CC(C)C(=O)NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295266459 475115614 /nfs/dbraw/zinc/11/56/14/475115614.db2.gz HJFXMWHHHUGQMF-UHFFFAOYSA-N -1 3 328.815 2.921 10 10 EFCEHM Cc1cn2c(n1)CN(Cc1cc(Br)cc(C)c1[O-])CC2 ZINC000378640837 476723583 /nfs/dbraw/zinc/72/35/83/476723583.db2.gz XPOSSTFEKSUZTF-UHFFFAOYSA-N -1 3 336.233 2.984 10 10 EFCEHM COc1cc(Br)cc(CN2CCO[C@H](C3CC3)C2)c1[O-] ZINC000375330917 476783379 /nfs/dbraw/zinc/78/33/79/476783379.db2.gz GWLDZSCNXHPPJC-AWEZNQCLSA-N -1 3 342.233 2.774 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCCN(c2ccccc2F)CC1 ZINC000376418628 477325551 /nfs/dbraw/zinc/32/55/51/477325551.db2.gz BPHHOMRUALEGRW-UHFFFAOYSA-N -1 3 330.359 2.589 10 10 EFCEHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000377046397 477616595 /nfs/dbraw/zinc/61/65/95/477616595.db2.gz LZSAUUSGBCQSLS-OAHLLOKOSA-N -1 3 340.423 2.834 10 10 EFCEHM CCn1ncc(CN[C@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000527922236 478573291 /nfs/dbraw/zinc/57/32/91/478573291.db2.gz DCOVAZPRSXASKA-SNVBAGLBSA-N -1 3 339.237 2.925 10 10 EFCEHM Cc1cc(C(=O)NCc2cc(Cl)ccc2[O-])nn1C1CCOCC1 ZINC000529514852 479185157 /nfs/dbraw/zinc/18/51/57/479185157.db2.gz WPGKLLQWJHEBID-UHFFFAOYSA-N -1 3 349.818 2.832 10 10 EFCEHM CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295484095 535520947 /nfs/dbraw/zinc/52/09/47/535520947.db2.gz XFVQEDWOYFSYNW-JKSUJKDBSA-N -1 3 343.826 2.937 10 10 EFCEHM [O-]c1cc2c(cc1CN1CCO[C@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000758293441 575865765 /nfs/dbraw/zinc/86/57/65/575865765.db2.gz ZNPXYNNXGDGVRI-MJGOQNOKSA-N -1 3 333.428 2.599 10 10 EFCEHM CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc(Cl)ccc1[O-] ZINC000763480569 576378846 /nfs/dbraw/zinc/37/88/46/576378846.db2.gz OAKGNENFEZVKFD-OAHLLOKOSA-N -1 3 334.803 2.705 10 10 EFCEHM COC(=O)c1cc2ccccc2c(CN2CCO[C@H](C)[C@@H]2C)c1[O-] ZINC000765098057 577006676 /nfs/dbraw/zinc/00/66/76/577006676.db2.gz CQJJDYZODKGNPS-QWHCGFSZSA-N -1 3 329.396 2.941 10 10 EFCEHM CN1CC[C@H](NC(=O)c2cc([O-])cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000765419938 577040490 /nfs/dbraw/zinc/04/04/90/577040490.db2.gz YZOOYSYTLQPHAY-DZGCQCFKSA-N -1 3 338.379 2.907 10 10 EFCEHM CCCN1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765769260 577074405 /nfs/dbraw/zinc/07/44/05/577074405.db2.gz KXEBSEKESBSYSA-ZDUSSCGKSA-N -1 3 341.249 2.645 10 10 EFCEHM CCCN1CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765769256 577074447 /nfs/dbraw/zinc/07/44/47/577074447.db2.gz KXEBSEKESBSYSA-CYBMUJFWSA-N -1 3 341.249 2.645 10 10 EFCEHM C[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H](c2ccccc2)O1 ZINC000768442225 577273776 /nfs/dbraw/zinc/27/37/76/577273776.db2.gz KTEKGKRJQRKOIA-YHBQJITHSA-N -1 3 341.407 2.780 10 10 EFCEHM [O-]c1cc2c(cc1CN1CCc3ccc(F)c(F)c3C1)[C@H](O)CO2 ZINC000768462499 577275619 /nfs/dbraw/zinc/27/56/19/577275619.db2.gz MAMUZWRMDNHKMM-MRXNPFEDSA-N -1 3 333.334 2.655 10 10 EFCEHM CCOc1ccc(CN2CCN(CC(F)F)[C@H](CC)C2)c([O-])c1 ZINC000769513733 577368950 /nfs/dbraw/zinc/36/89/50/577368950.db2.gz HTNAGVFICXWQDY-CQSZACIVSA-N -1 3 328.403 2.952 10 10 EFCEHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CO)c2ccsc2)c1[O-] ZINC000769936247 577394252 /nfs/dbraw/zinc/39/42/52/577394252.db2.gz VCFHJOYHSIKPRW-NSHDSACASA-N -1 3 328.777 2.839 10 10 EFCEHM CCOc1ccc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000770350482 577412344 /nfs/dbraw/zinc/41/23/44/577412344.db2.gz HLCUBSRXFRMXPS-YJBOKZPZSA-N -1 3 347.411 2.708 10 10 EFCEHM CCOc1ccc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000770350480 577412352 /nfs/dbraw/zinc/41/23/52/577412352.db2.gz HLCUBSRXFRMXPS-QAPCUYQASA-N -1 3 347.411 2.708 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN[C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000850351863 1250445592 /nfs/dbraw/zinc/44/55/92/1250445592.db2.gz JHGDPDGCYPPSJH-BXKDBHETSA-N -1 3 337.221 2.850 10 10 EFCEHM C[C@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850500003 1250510199 /nfs/dbraw/zinc/51/01/99/1250510199.db2.gz BVQJXJJIZFXFAH-XHDPSFHLSA-N -1 3 341.367 2.539 10 10 EFCEHM Cc1cccc2c1OC[C@@H](NC(=O)NCc1c([O-])cccc1F)C2 ZINC000922548918 1266227386 /nfs/dbraw/zinc/22/73/86/1266227386.db2.gz NXIVDTJFXYKKJC-ZDUSSCGKSA-N -1 3 330.359 2.643 10 10 EFCEHM Cc1cc(Br)c([O-])c(CN2CC[C@](O)(C(F)F)C2)c1 ZINC000824726609 1278263743 /nfs/dbraw/zinc/26/37/43/1278263743.db2.gz POSDYOBLEGWQHU-CYBMUJFWSA-N -1 3 336.176 2.665 10 10 EFCEHM C[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccc(F)cc1[O-] ZINC000788606634 1276238211 /nfs/dbraw/zinc/23/82/11/1276238211.db2.gz BFGHXOZQSFIEIU-GFCCVEGCSA-N -1 3 343.402 2.548 10 10 EFCEHM Cn1ccnc1C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790809444 1277760335 /nfs/dbraw/zinc/76/03/35/1277760335.db2.gz VYKCPBFOAUBVGX-HNNXBMFYSA-N -1 3 337.379 2.545 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CC(c2nc3ccccc3s2)C1 ZINC000790878530 1277821859 /nfs/dbraw/zinc/82/18/59/1277821859.db2.gz SZBCADWVTUAXBI-UHFFFAOYSA-N -1 3 326.377 2.947 10 10 EFCEHM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790886190 1277827909 /nfs/dbraw/zinc/82/79/09/1277827909.db2.gz GQLWEBOTTTVKLZ-GFCCVEGCSA-N -1 3 335.400 2.682 10 10 EFCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846359148 1280132501 /nfs/dbraw/zinc/13/25/01/1280132501.db2.gz QONNMGHWBDSYRY-GOSISDBHSA-N -1 3 347.798 2.875 10 10 EFCEHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])c(OC)c(C)c1OC ZINC000794392451 1280168774 /nfs/dbraw/zinc/16/87/74/1280168774.db2.gz FLUVLJIDZHRUAG-UHFFFAOYSA-N -1 3 347.367 2.993 10 10 EFCEHM COC(=O)c1c[nH]c2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc21 ZINC001147879108 1281339579 /nfs/dbraw/zinc/33/95/79/1281339579.db2.gz IHTGYQPBHSCSBI-UHFFFAOYSA-N -1 3 340.335 2.926 10 10 EFCEHM O=C(NCc1cccc2c1CCOC2)NCc1c([O-])cccc1F ZINC000923635556 1287536310 /nfs/dbraw/zinc/53/63/10/1287536310.db2.gz URGUNPQZBRROLV-UHFFFAOYSA-N -1 3 330.359 2.603 10 10 EFCEHM C[C@@H](NCc1cc(F)ccc1[O-])c1ncc(Br)cn1 ZINC000816627388 1288216061 /nfs/dbraw/zinc/21/60/61/1288216061.db2.gz MTSHZMVXFWFWPF-MRVPVSSYSA-N -1 3 326.169 2.935 10 10 EFCEHM CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@]2(CCOC2)O1 ZINC000816596882 1288219313 /nfs/dbraw/zinc/21/93/13/1288219313.db2.gz VLTFSTWJOYMOTD-WBMJQRKESA-N -1 3 329.799 2.955 10 10 EFCEHM COc1c([O-])c(CN2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000816667386 1288235530 /nfs/dbraw/zinc/23/55/30/1288235530.db2.gz LTANBGYIZJGITC-CQSZACIVSA-N -1 3 336.388 2.700 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001178413349 1288781185 /nfs/dbraw/zinc/78/11/85/1288781185.db2.gz QXDOJLMVCLDRLS-OLZOCXBDSA-N -1 3 330.315 2.859 10 10 EFCEHM O=C1OCCN1C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000824451403 1289655452 /nfs/dbraw/zinc/65/54/52/1289655452.db2.gz VITQBXSUMWKPOC-SNVBAGLBSA-N -1 3 345.226 2.973 10 10 EFCEHM O=c1[nH]ccc2c1CN(Cc1ccc(Br)cc1[O-])CC2 ZINC000825693148 1290039242 /nfs/dbraw/zinc/03/92/42/1290039242.db2.gz UKGMBZLFTQQWHL-UHFFFAOYSA-N -1 3 335.201 2.814 10 10 EFCEHM [O-]c1c(Br)cccc1CNCc1cn(C2CCC2)nn1 ZINC000825710564 1290168901 /nfs/dbraw/zinc/16/89/01/1290168901.db2.gz TYSCTYCFTLBCIW-UHFFFAOYSA-N -1 3 337.221 2.761 10 10 EFCEHM CN(C)c1cccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)c1 ZINC000161319699 1296128872 /nfs/dbraw/zinc/12/88/72/1296128872.db2.gz XEESMEHVPDFARV-UHFFFAOYSA-N -1 3 325.821 2.789 10 10 EFCEHM CC(=O)N[C@@H](CC(=O)NCc1c([O-])cccc1F)c1ccc(C)cc1 ZINC000928709452 1297126012 /nfs/dbraw/zinc/12/60/12/1297126012.db2.gz IMRFAEQNZJNSRZ-KRWDZBQOSA-N -1 3 344.386 2.723 10 10 EFCEHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928710371 1297126275 /nfs/dbraw/zinc/12/62/75/1297126275.db2.gz CGPNTNTUMSBLSE-CQSZACIVSA-N -1 3 336.407 2.575 10 10 EFCEHM O=C(CC1CCN(CC(F)F)CC1)NCc1c([O-])cccc1F ZINC000928709875 1297126578 /nfs/dbraw/zinc/12/65/78/1297126578.db2.gz MUWSNABETAZMLL-UHFFFAOYSA-N -1 3 330.350 2.515 10 10 EFCEHM NCc1nc2c(s1)CCN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000903942504 1313457879 /nfs/dbraw/zinc/45/78/79/1313457879.db2.gz PYETXDJLCQURQD-UHFFFAOYSA-N -1 3 327.812 2.658 10 10 EFCEHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](OC)C1CCC1 ZINC000851840227 1299427768 /nfs/dbraw/zinc/42/77/68/1299427768.db2.gz COGTVKHIJOQAKA-MRXNPFEDSA-N -1 3 341.835 2.836 10 10 EFCEHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1[O-] ZINC000852780547 1299882834 /nfs/dbraw/zinc/88/28/34/1299882834.db2.gz OBTSZBGRYZVVJW-FVMDXXJSSA-N -1 3 331.334 2.978 10 10 EFCEHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000776747885 1300615438 /nfs/dbraw/zinc/61/54/38/1300615438.db2.gz PWOIZYHXGBHGSD-BJMVGYQFSA-N -1 3 347.392 2.688 10 10 EFCEHM C[C@](CO)(NCc1cc(Cl)cc(F)c1[O-])c1cccc(O)c1 ZINC000862432643 1302383042 /nfs/dbraw/zinc/38/30/42/1302383042.db2.gz LTTVQMZRRGCVGI-MRXNPFEDSA-N -1 3 325.767 2.888 10 10 EFCEHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](c2ncccn2)C2CC2)c1 ZINC000903327721 1312573335 /nfs/dbraw/zinc/57/33/35/1312573335.db2.gz XWESYVIXLWKTRV-ZBEGNZNMSA-N -1 3 327.384 2.771 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001303878568 1324624162 /nfs/dbraw/zinc/62/41/62/1324624162.db2.gz NDHVVATXBLDCIL-UHFFFAOYSA-N -1 3 329.287 2.851 10 10 EFCEHM COC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CCCCCC1 ZINC001303946085 1324627417 /nfs/dbraw/zinc/62/74/17/1324627417.db2.gz RIFRUNXCMZTZGQ-AWEZNQCLSA-N -1 3 335.400 2.587 10 10 EFCEHM Cc1cc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)ccc1N(C)C ZINC001308022497 1324789910 /nfs/dbraw/zinc/78/99/10/1324789910.db2.gz NIFRHRPJSJEFHE-MRXNPFEDSA-N -1 3 343.393 2.704 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCCN1Cc1ccncc1 ZINC001333661725 1331189863 /nfs/dbraw/zinc/18/98/63/1331189863.db2.gz WQYCPSXNSMWRBU-KRWDZBQOSA-N -1 3 343.402 2.597 10 10 EFCEHM Cc1ccc2ncc(C(=O)NCc3c([O-])cccc3F)c(O)c2c1 ZINC001458023470 1395397841 /nfs/dbraw/zinc/39/78/41/1395397841.db2.gz DJXQGHLUXBADKA-UHFFFAOYSA-N -1 3 326.327 2.611 10 10 EFCEHM O=C(NCc1nc(-c2ccccn2)cs1)c1cccc(O)c1[O-] ZINC001469537805 1397036116 /nfs/dbraw/zinc/03/61/16/1397036116.db2.gz IBHCYDQPAHUIRM-UHFFFAOYSA-N -1 3 327.365 2.546 10 10 EFCEHM Cn1ccc(Nc2ccc(C(=O)NCc3c([O-])cccc3F)cc2)n1 ZINC001471975689 1397229470 /nfs/dbraw/zinc/22/94/70/1397229470.db2.gz CVMLROMVZNSKHL-UHFFFAOYSA-N -1 3 340.358 2.938 10 10 EFCEHM Nc1c(Cl)cc(C(=O)NCc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001471975925 1397229535 /nfs/dbraw/zinc/22/95/35/1397229535.db2.gz MVIGWNHLOSQPQE-UHFFFAOYSA-N -1 3 339.710 2.605 10 10 EFCEHM COc1cccc(OC)c1CNC(=O)NCc1c([O-])cccc1F ZINC001478939639 1397596290 /nfs/dbraw/zinc/59/62/90/1397596290.db2.gz QUIGGLOXGGRDBH-UHFFFAOYSA-N -1 3 334.347 2.548 10 10 EFCEHM O=C(CCc1nc(-c2ccccc2)no1)NCc1c([O-])cccc1F ZINC001558454934 1415180801 /nfs/dbraw/zinc/18/08/01/1415180801.db2.gz HVJDIISQDBDZDI-UHFFFAOYSA-N -1 3 341.342 2.830 10 10 EFCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1[N+](=O)[O-] ZINC001565297941 1415392948 /nfs/dbraw/zinc/39/29/48/1415392948.db2.gz RRQGOHDGZMBUQZ-SNVBAGLBSA-N -1 3 333.319 3.000 10 10 EFCEHM Cc1noc([C@@H](C)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000121284604 723892434 /nfs/dbraw/zinc/89/24/34/723892434.db2.gz RKWUPACZXFKUOK-LLVKDONJSA-N -1 3 336.823 2.616 10 10 EFCEHM C[C@H](O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893993157 720199409 /nfs/dbraw/zinc/19/94/09/720199409.db2.gz BWYOANLJKFNGKY-VIFPVBQESA-N -1 3 332.213 2.887 10 10 EFCEHM [O-]c1c(F)cc(F)cc1CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000894881453 722937396 /nfs/dbraw/zinc/93/73/96/722937396.db2.gz PHPDZLXOOVMZQF-QAPCUYQASA-N -1 3 337.341 2.970 10 10 EFCEHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(N(CC)CC)cc2)[n-]1 ZINC000895238303 723914347 /nfs/dbraw/zinc/91/43/47/723914347.db2.gz XNQIBZJFPWSBJF-ZDUSSCGKSA-N -1 3 345.447 2.678 10 10 EFCEHM COCc1ncc2c(n1)CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC000895417321 724125095 /nfs/dbraw/zinc/12/50/95/724125095.db2.gz XUKFXEDRPQDQEJ-UHFFFAOYSA-N -1 3 333.819 2.849 10 10 EFCEHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCN1CC(F)F ZINC000153531256 726914811 /nfs/dbraw/zinc/91/48/11/726914811.db2.gz OEVQFJIZFHLWBY-AWEZNQCLSA-N -1 3 344.377 2.895 10 10 EFCEHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccc(Br)cn2)c1 ZINC000733797949 727735468 /nfs/dbraw/zinc/73/54/68/727735468.db2.gz HGYAGDYAXGMGQB-UHFFFAOYSA-N -1 3 338.161 2.748 10 10 EFCEHM O=C(NCc1c([O-])cccc1F)N[C@H](CCCO)c1ccccc1 ZINC000920063120 729133237 /nfs/dbraw/zinc/13/32/37/729133237.db2.gz AXNBBXMLLOXSAL-MRXNPFEDSA-N -1 3 332.375 2.844 10 10 EFCEHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c([O-])c1O ZINC000181833165 729216959 /nfs/dbraw/zinc/21/69/59/729216959.db2.gz SGPKUHLSISUEMI-UHFFFAOYSA-N -1 3 326.352 2.551 10 10 EFCEHM COC[C@@H](Cc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC000921191078 729272347 /nfs/dbraw/zinc/27/23/47/729272347.db2.gz GWWSONXJNNVFBJ-CQSZACIVSA-N -1 3 332.375 2.588 10 10 EFCEHM C[C@H](O)C[C@H](CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000921450044 729460248 /nfs/dbraw/zinc/46/02/48/729460248.db2.gz RAPBYYMCSZKWEI-DZGCQCFKSA-N -1 3 346.402 2.885 10 10 EFCEHM CO[C@H](CS(=O)(=O)NCc1c([O-])cccc1F)C1CCCCC1 ZINC000921450753 729460568 /nfs/dbraw/zinc/46/05/68/729460568.db2.gz DTWYJOAZHHFHJG-MRXNPFEDSA-N -1 3 345.436 2.546 10 10 EFCEHM COC(=O)[C@@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC000179805325 729630101 /nfs/dbraw/zinc/63/01/01/729630101.db2.gz WFNKPYBWOJLZCP-LBPRGKRZSA-N -1 3 328.206 2.682 10 10 EFCEHM