smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NOC(C)C)cc2)cc1 ZINC001569694151 1085525161 /nfs/dbraw/zinc/52/51/61/1085525161.db2.gz SIEZWUDCMISFGB-UHFFFAOYSA-N -1 1 348.424 2.866 10 0 EFAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1Cc2ccc(Cl)cc2C1 ZINC001570217344 1086057611 /nfs/dbraw/zinc/05/76/11/1086057611.db2.gz IOVGEEMZUVYIBA-UHFFFAOYSA-N -1 1 330.800 2.827 10 0 EFAEMM Cc1ncc(CNC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])o1 ZINC001570227887 1086067822 /nfs/dbraw/zinc/06/78/22/1086067822.db2.gz VPMVPEPZQDORAH-UHFFFAOYSA-N -1 1 326.308 2.691 10 0 EFAEMM CC(=O)N1CCc2cc(C(=O)Nc3cc(F)cc(F)c3[O-])ccc21 ZINC001570464878 1086258604 /nfs/dbraw/zinc/25/86/04/1086258604.db2.gz ULBGHESEMSJYMX-UHFFFAOYSA-N -1 1 332.306 2.832 10 0 EFAEMM Cc1c[nH]c(-c2ccc(NC(=O)c3c(C)[nH]c(=O)[n-]c3=S)cc2)n1 ZINC001570894253 1086594111 /nfs/dbraw/zinc/59/41/11/1086594111.db2.gz AVDCZLPHTWWUNN-UHFFFAOYSA-N -1 1 341.396 2.730 10 0 EFAEMM CC(C)=C(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001571715331 1087086924 /nfs/dbraw/zinc/08/69/24/1087086924.db2.gz RDVKHPRWEUWDLH-HNNXBMFYSA-N -1 1 345.443 2.597 10 0 EFAEMM CCCCCC(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-] ZINC001571791743 1087126916 /nfs/dbraw/zinc/12/69/16/1087126916.db2.gz SOCORSBRDPQNIG-UHFFFAOYSA-N -1 1 335.448 2.582 10 0 EFAEMM CCCC[C@H](CNC(=O)/C=C(/C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001571913608 1087192775 /nfs/dbraw/zinc/19/27/75/1087192775.db2.gz SUXUQEJNZVIKCW-BMOGTNHUSA-N -1 1 345.443 2.548 10 0 EFAEMM CC/C(C)=C\C(=O)N1CCCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001571922982 1087199373 /nfs/dbraw/zinc/19/93/73/1087199373.db2.gz HIGQIXBGWCGMNN-IKESIWSLSA-N -1 1 345.443 2.645 10 0 EFAEMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001572675288 1087591502 /nfs/dbraw/zinc/59/15/02/1087591502.db2.gz ZVEZQUOMDHOSCY-HUUCEWRRSA-N -1 1 345.443 2.500 10 0 EFAEMM C[C@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)CC1CCCC1 ZINC001572727355 1087623026 /nfs/dbraw/zinc/62/30/26/1087623026.db2.gz UPSBPQCLYWOHIR-CQSZACIVSA-N -1 1 347.459 2.772 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@@H](C)CCCCNC(=O)c1ncccc1[O-] ZINC001572744094 1087636124 /nfs/dbraw/zinc/63/61/24/1087636124.db2.gz DFXCZDXKPYPQII-HNNXBMFYSA-N -1 1 347.459 2.938 10 0 EFAEMM C/C=C(/C)C(=O)N(C)CCCCCCNC(=O)c1ncccc1[O-] ZINC001573254142 1087725518 /nfs/dbraw/zinc/72/55/18/1087725518.db2.gz SMKRVJXLUJNESP-CPSFFCFKSA-N -1 1 333.432 2.502 10 0 EFAEMM Nc1c2cccnc2sc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001646486152 1087792375 /nfs/dbraw/zinc/79/23/75/1087792375.db2.gz BAITZYIVRZBEMP-UHFFFAOYSA-N -1 1 349.362 2.835 10 0 EFAEMM Nc1cc(F)c(F)cc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001646486513 1087792810 /nfs/dbraw/zinc/79/28/10/1087792810.db2.gz HKGVKYRGRMDEME-UHFFFAOYSA-N -1 1 328.265 2.503 10 0 EFAEMM CC/C(C)=C\C(=O)N1CCCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001573624128 1087831271 /nfs/dbraw/zinc/83/12/71/1087831271.db2.gz WGZOXYUKRNIWGW-ZSMUJPCHSA-N -1 1 345.443 2.597 10 0 EFAEMM COc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[n-]2)c(C)c1 ZINC001646942993 1088622137 /nfs/dbraw/zinc/62/21/37/1088622137.db2.gz SYPSVHSMKKFEIT-UHFFFAOYSA-N -1 1 331.372 2.934 10 0 EFAEMM CCCCc1ccc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)cc1 ZINC001646995620 1088725470 /nfs/dbraw/zinc/72/54/70/1088725470.db2.gz WJVLSIWSNMHYLF-HNNXBMFYSA-N -1 1 327.432 2.637 10 0 EFAEMM CCC(CC)(C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1)c1ccccc1 ZINC001646996567 1088727993 /nfs/dbraw/zinc/72/79/93/1088727993.db2.gz YLNRRZLNENRLSK-HNNXBMFYSA-N -1 1 341.459 2.739 10 0 EFAEMM COc1cnc(C2(NC(=O)CC[C@@H](C)SC)CCCC2)[n-]c1=O ZINC001646999642 1088732936 /nfs/dbraw/zinc/73/29/36/1088732936.db2.gz QDMFDDIXMXKMFV-LLVKDONJSA-N -1 1 339.461 2.608 10 0 EFAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cc(Cl)cc2c[nH]nc21 ZINC001647823872 1089889434 /nfs/dbraw/zinc/88/94/34/1089889434.db2.gz IJQOPOCPWDXFIE-UHFFFAOYSA-N -1 1 335.776 2.561 10 0 EFAEMM Cc1cccc(CONC(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC001647930695 1089912032 /nfs/dbraw/zinc/91/20/32/1089912032.db2.gz CYXCXAWWWACKGM-UHFFFAOYSA-N -1 1 326.274 2.976 10 0 EFAEMM CC(=Cc1ccc(F)cc1)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001647947607 1089918290 /nfs/dbraw/zinc/91/82/90/1089918290.db2.gz MKXKTIZQYQQQJV-JNSOCZORSA-N -1 1 337.358 2.648 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NCc2ccc(-n3cccn3)cc2C)c1 ZINC001647966814 1089921009 /nfs/dbraw/zinc/92/10/09/1089921009.db2.gz UHKKNRSNJFXMTD-UHFFFAOYSA-N -1 1 349.390 2.937 10 0 EFAEMM CCN(CCCNC(=O)C(C)=C1CCCC1)C(=O)c1ncccc1[O-] ZINC001577511828 1090024668 /nfs/dbraw/zinc/02/46/68/1090024668.db2.gz VUNNBDHQNATFEX-UHFFFAOYSA-N -1 1 345.443 2.646 10 0 EFAEMM CCN(CCCNC(=O)[C@]1(C)CCC[C@H]1C)C(=O)c1ncccc1[O-] ZINC001577659855 1090111905 /nfs/dbraw/zinc/11/19/05/1090111905.db2.gz PHTIGIWOIHQVDV-AUUYWEPGSA-N -1 1 347.459 2.582 10 0 EFAEMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C(F)=C1CCCC1 ZINC001581367143 1091130147 /nfs/dbraw/zinc/13/01/47/1091130147.db2.gz NMEDOVIMGBOVQU-UHFFFAOYSA-N -1 1 349.406 2.553 10 0 EFAEMM CCCCCC(=O)N1CCC([C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001581535880 1091181836 /nfs/dbraw/zinc/18/18/36/1091181836.db2.gz LRSXDGJSEBOVAO-AWEZNQCLSA-N -1 1 347.459 2.724 10 0 EFAEMM CCCCCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)c1ncccc1[O-] ZINC001582883247 1091750665 /nfs/dbraw/zinc/75/06/65/1091750665.db2.gz LFODZBFUDCDXKW-HUUCEWRRSA-N -1 1 347.459 2.724 10 0 EFAEMM CC/C(C)=C\C(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001582887869 1091759477 /nfs/dbraw/zinc/75/94/77/1091759477.db2.gz UTSLIVADPFDDLM-MKQVVRHOSA-N -1 1 345.443 2.500 10 0 EFAEMM COC(=O)c1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1Cl ZINC001583136365 1091908243 /nfs/dbraw/zinc/90/82/43/1091908243.db2.gz AZZHVOWEKOPBTN-UHFFFAOYSA-N -1 1 333.727 2.654 10 0 EFAEMM O=C(N[C@H]1CCc2ccccc2NC1=O)c1ncc2ccccc2c1[O-] ZINC001583191469 1091926600 /nfs/dbraw/zinc/92/66/00/1091926600.db2.gz XOBAQHVRIMPEHW-INIZCTEOSA-N -1 1 347.374 2.624 10 0 EFAEMM Cc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])n1 ZINC001583787423 1092069001 /nfs/dbraw/zinc/06/90/01/1092069001.db2.gz XWYRWDYQKOTCDD-SECBINFHSA-N -1 1 341.323 2.647 10 0 EFAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)C=Cc2cccc(F)c2)[n-]1 ZINC001584269100 1092135191 /nfs/dbraw/zinc/13/51/91/1092135191.db2.gz MSLKBHBFQXAPBC-VOTSOKGWSA-N -1 1 330.315 2.795 10 0 EFAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cccc3oc(C)nc32)[n-]1 ZINC001584268107 1092135515 /nfs/dbraw/zinc/13/55/15/1092135515.db2.gz CUHYONXOFJBWLA-UHFFFAOYSA-N -1 1 341.323 2.706 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(OCC)n2)c1 ZINC001584584138 1092211111 /nfs/dbraw/zinc/21/11/11/1092211111.db2.gz ACLKAFQNQGZLBB-UHFFFAOYSA-N -1 1 327.340 2.563 10 0 EFAEMM O=C(Nc1ccc(F)cc1[O-])c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001648674320 1092248733 /nfs/dbraw/zinc/24/87/33/1092248733.db2.gz QKIMDYVPFWMZLC-UHFFFAOYSA-N -1 1 335.356 2.720 10 0 EFAEMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(F)cc2ccncc21 ZINC001584911984 1092324556 /nfs/dbraw/zinc/32/45/56/1092324556.db2.gz UAQZWJCIUFGTHC-UHFFFAOYSA-N -1 1 325.225 2.763 10 0 EFAEMM CSc1ncc(C(=O)Nc2nc(-c3ccccn3)cs2)c(=O)[n-]1 ZINC001585033136 1092355233 /nfs/dbraw/zinc/35/52/33/1092355233.db2.gz RXJWJXWLDPQABF-UHFFFAOYSA-N -1 1 345.409 2.675 10 0 EFAEMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1ccn2nnnc2c1 ZINC001585193315 1092398556 /nfs/dbraw/zinc/39/85/56/1092398556.db2.gz UAWMELUPQIKYKR-UHFFFAOYSA-N -1 1 339.742 2.889 10 0 EFAEMM CC(C)C[C@H](C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)c1ccccc1 ZINC001649337921 1092402895 /nfs/dbraw/zinc/40/28/95/1092402895.db2.gz HWVRECCWYDLOFI-WBVHZDCISA-N -1 1 341.459 2.811 10 0 EFAEMM CC(C)(C)c1ccc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)cc1 ZINC001649337242 1092403168 /nfs/dbraw/zinc/40/31/68/1092403168.db2.gz BFWMHKGGBITNJY-CYBMUJFWSA-N -1 1 327.432 2.592 10 0 EFAEMM CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001649338206 1092405647 /nfs/dbraw/zinc/40/56/47/1092405647.db2.gz IZICXWRUSCTSCU-JKSUJKDBSA-N -1 1 341.459 2.558 10 0 EFAEMM O=C(c1ccccc1C1CCC1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001649339620 1092405766 /nfs/dbraw/zinc/40/57/66/1092405766.db2.gz PUPJQKJVWVFRGQ-CYBMUJFWSA-N -1 1 325.416 2.562 10 0 EFAEMM CC[C@@H](C)c1ccc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)cc1 ZINC001649340086 1092407474 /nfs/dbraw/zinc/40/74/74/1092407474.db2.gz ULDKMXYRTLLEAM-KGLIPLIRSA-N -1 1 327.432 2.808 10 0 EFAEMM CCc1sc(C(=O)NC(C)(C)c2ncc(OC)c(=O)[n-]2)cc1C ZINC001649350222 1092418496 /nfs/dbraw/zinc/41/84/96/1092418496.db2.gz SZQZMWZDSVSGPC-UHFFFAOYSA-N -1 1 335.429 2.788 10 0 EFAEMM COc1cnc(C2(NC(=O)[C@H]3CCCC[C@@H]3C)CCCC2)[n-]c1=O ZINC001649352122 1092420558 /nfs/dbraw/zinc/42/05/58/1092420558.db2.gz ZUNWUIWCUNMMOL-STQMWFEESA-N -1 1 333.432 2.903 10 0 EFAEMM COc1cnc([C@@H]2CCCN2C(=O)c2nc(C3CC3)cs2)[n-]c1=O ZINC001649355046 1092423599 /nfs/dbraw/zinc/42/35/99/1092423599.db2.gz GEDNVQSITQYRPE-NSHDSACASA-N -1 1 346.412 2.502 10 0 EFAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H]1OCc2ccccc21 ZINC001649359407 1092432067 /nfs/dbraw/zinc/43/20/67/1092432067.db2.gz STVMXEXHFYCHNH-CQSZACIVSA-N -1 1 327.384 2.615 10 0 EFAEMM COc1ccccc1[C@H](NC(=O)c1cnncc1[O-])c1ccccc1 ZINC001585694088 1092546522 /nfs/dbraw/zinc/54/65/22/1092546522.db2.gz UDZYOLDTEWCKNH-GOSISDBHSA-N -1 1 335.363 2.710 10 0 EFAEMM COc1ccccc1[C@@H](NC(=O)c1cnncc1[O-])c1ccccc1 ZINC001585694089 1092547082 /nfs/dbraw/zinc/54/70/82/1092547082.db2.gz UDZYOLDTEWCKNH-SFHVURJKSA-N -1 1 335.363 2.710 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(SC)cn2)c1 ZINC001585910840 1092618512 /nfs/dbraw/zinc/61/85/12/1092618512.db2.gz DDAVNYNCGHIBQB-UHFFFAOYSA-N -1 1 329.381 2.886 10 0 EFAEMM Cc1nn(C)c(C)c1CC(=O)Nc1ccc(Br)c([O-])c1 ZINC001649768450 1092663106 /nfs/dbraw/zinc/66/31/06/1092663106.db2.gz JMLVJZAHLRPZMS-UHFFFAOYSA-N -1 1 338.205 2.686 10 0 EFAEMM CC1(C)OCC(C)(C(=O)Nc2ccc(Br)c([O-])c2)CO1 ZINC001649786431 1092679806 /nfs/dbraw/zinc/67/98/06/1092679806.db2.gz WQZDEVSLNISRPF-UHFFFAOYSA-N -1 1 344.205 2.882 10 0 EFAEMM C[C@H](Oc1ccccc1NC(=O)CCc1nn[n-]n1)c1ccccc1 ZINC001586209655 1092710180 /nfs/dbraw/zinc/71/01/80/1092710180.db2.gz ZEFMECMXLGIIIU-ZDUSSCGKSA-N -1 1 337.383 2.911 10 0 EFAEMM O=C(C=Cc1ccc2c(c1)OCO2)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001586211285 1092710385 /nfs/dbraw/zinc/71/03/85/1092710385.db2.gz MSMZAOGQCKNXBH-KRXBUXKQSA-N -1 1 349.346 2.959 10 0 EFAEMM O=C(C/C=C/Cc1ccccc1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001586308570 1092721057 /nfs/dbraw/zinc/72/10/57/1092721057.db2.gz DKRAIAJECKLTDY-SNAWJCMRSA-N -1 1 349.394 2.906 10 0 EFAEMM O=C(CCN1C(=O)CCc2cc(F)ccc21)Nc1cccc(F)c1[O-] ZINC001587389245 1092810100 /nfs/dbraw/zinc/81/01/00/1092810100.db2.gz COMJAXSCZWYKFY-UHFFFAOYSA-N -1 1 346.333 2.978 10 0 EFAEMM CCCCO[C@H]1C[C@@H](NC(=O)c2cnc(SC)[n-]c2=O)C1(C)C ZINC001587654418 1092836918 /nfs/dbraw/zinc/83/69/18/1092836918.db2.gz JLWLAXCLGMEMPJ-NEPJUHHUSA-N -1 1 339.461 2.618 10 0 EFAEMM Cc1ncc(-c2ccc(NC(=O)c3c(C)[nH]c(=O)[n-]c3=S)cc2)o1 ZINC001588027810 1092884404 /nfs/dbraw/zinc/88/44/04/1092884404.db2.gz ZLBIFJFNCCPVIN-UHFFFAOYSA-N -1 1 342.380 2.995 10 0 EFAEMM COc1cccc(S([O-])=CC(=O)OC2CCCC(=O)CCC2)c1 ZINC001650504380 1093335049 /nfs/dbraw/zinc/33/50/49/1093335049.db2.gz YGQIYMZGAIMQNO-HSZRJFAPSA-N -1 1 338.425 2.638 10 0 EFAEMM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001650586713 1093447509 /nfs/dbraw/zinc/44/75/09/1093447509.db2.gz JAPFDUBDTJDTAV-GXTWGEPZSA-N -1 1 347.850 2.513 10 0 EFAEMM COc1cnc(C2(NC(=O)c3ccc(C)c(F)c3)CCCC2)[n-]c1=O ZINC001650601121 1093460434 /nfs/dbraw/zinc/46/04/34/1093460434.db2.gz ZVVXMSFDBZUYEZ-UHFFFAOYSA-N -1 1 345.374 2.838 10 0 EFAEMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cccc(F)n1 ZINC001650958170 1093512683 /nfs/dbraw/zinc/51/26/83/1093512683.db2.gz JRMCZROUEVJIKZ-UHFFFAOYSA-N -1 1 333.710 2.617 10 0 EFAEMM CCn1c(C)cc2[nH]nc(NC(=O)c3cccc(Cl)c3[O-])c2c1=O ZINC001651095538 1093526445 /nfs/dbraw/zinc/52/64/45/1093526445.db2.gz NWOMVPOQMPDPGN-UHFFFAOYSA-N -1 1 346.774 2.664 10 0 EFAEMM Cc1ccc2[nH]c(C(=O)N(Cc3nn[n-]n3)CC(C)C)cc2c1C ZINC001651180236 1093536273 /nfs/dbraw/zinc/53/62/73/1093536273.db2.gz CSBUKYYQASEIGZ-UHFFFAOYSA-N -1 1 326.404 2.596 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(Cl)c2ncccc12 ZINC001651181955 1093536712 /nfs/dbraw/zinc/53/67/12/1093536712.db2.gz IASRLMXSBGSTEH-UHFFFAOYSA-N -1 1 344.806 2.700 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(-c2ccccc2)ns1 ZINC001593758586 1094411512 /nfs/dbraw/zinc/41/15/12/1094411512.db2.gz FZVNBSUXJVIZSM-UHFFFAOYSA-N -1 1 342.428 2.622 10 0 EFAEMM Cc1ccc2c(CC(=O)N(Cc3nn[n-]n3)CC(C)C)coc2c1C ZINC001593750773 1094411526 /nfs/dbraw/zinc/41/15/26/1094411526.db2.gz BAMUZMCOYSEFSK-UHFFFAOYSA-N -1 1 341.415 2.790 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC001595779561 1094493125 /nfs/dbraw/zinc/49/31/25/1094493125.db2.gz OFUIPWISSLFOGS-HOCLYGCPSA-N -1 1 329.327 2.715 10 0 EFAEMM O=C([N-]c1c(F)ccnc1F)c1cn(-c2ccc(Cl)cc2)nn1 ZINC001595923129 1094504761 /nfs/dbraw/zinc/50/47/61/1094504761.db2.gz ZXYNMZDJIXCSOT-UHFFFAOYSA-N -1 1 335.701 2.846 10 0 EFAEMM CCCCCc1nnc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)s1 ZINC001597171055 1094568623 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CC(C)Cc1coc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[n-]2)n1 ZINC001363693295 1336997224 /nfs/dbraw/zinc/99/72/24/1336997224.db2.gz KVGAAWMHZPFVPR-UHFFFAOYSA-N -1 1 334.376 2.804 10 0 EFAEMM O=C(N[C@H]1CCC2(C1)OCCO2)c1c([O-])cnc2ccc(Cl)cc21 ZINC001363704705 1337003823 /nfs/dbraw/zinc/00/38/23/1337003823.db2.gz ASQBJXZZUVRDNN-NSHDSACASA-N -1 1 348.786 2.619 10 0 EFAEMM O=C(N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21)c1ccc([O-])c(F)c1 ZINC001363724835 1337012147 /nfs/dbraw/zinc/01/21/47/1337012147.db2.gz VCQLJEIEPRMAEI-HNAYVOBHSA-N -1 1 343.354 2.944 10 0 EFAEMM Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC001363729209 1337015027 /nfs/dbraw/zinc/01/50/27/1337015027.db2.gz YOVRPXMEUDSPAA-SNVBAGLBSA-N -1 1 333.697 2.813 10 0 EFAEMM C[C@H](C(=O)NC1(c2nn[n-]n2)CCC1)c1c(Cl)cccc1Cl ZINC001363821663 1337068083 /nfs/dbraw/zinc/06/80/83/1337068083.db2.gz NNMXVGPYOLTBJI-QMMMGPOBSA-N -1 1 340.214 2.806 10 0 EFAEMM CCOC(=O)c1n[nH]c(NC(=O)c2ccc([O-])cc2F)c1C1CC1 ZINC001363850562 1337080601 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10 0 EFAEMM C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001374007353 1341296356 /nfs/dbraw/zinc/29/63/56/1341296356.db2.gz SUGFZNCZCQFBRZ-UONOGXRCSA-N -1 1 347.459 2.580 10 0 EFAEMM CC[C@H](CC(C)C)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001374545279 1342050979 /nfs/dbraw/zinc/05/09/79/1342050979.db2.gz YOOMOISBAKRDOP-CABCVRRESA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)CCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001376460783 1343609756 /nfs/dbraw/zinc/60/97/56/1343609756.db2.gz UFVNLSLVDPPZHL-HUUCEWRRSA-N -1 1 347.459 2.628 10 0 EFAEMM CCCC[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-])C(C)C ZINC001378392058 1345038031 /nfs/dbraw/zinc/03/80/31/1345038031.db2.gz PJBCVPUJGCLJLW-HUUCEWRRSA-N -1 1 347.459 2.580 10 0 EFAEMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)NC(=O)CCC1CCCCC1 ZINC001380435298 1347668744 /nfs/dbraw/zinc/66/87/44/1347668744.db2.gz KYGXBADLGLSHAO-UONOGXRCSA-N -1 1 347.459 2.771 10 0 EFAEMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)C(C)(C)C ZINC001381090979 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347.459 2.723 10 0 EFAEMM CCC[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001385299061 1350704807 /nfs/dbraw/zinc/70/48/07/1350704807.db2.gz XNDVKILZDCJMBQ-AUUYWEPGSA-N -1 1 347.459 2.677 10 0 EFAEMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC001387971419 1352406607 /nfs/dbraw/zinc/40/66/07/1352406607.db2.gz LCNDTSGRMIICSN-HUUCEWRRSA-N -1 1 347.459 2.532 10 0 EFAEMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001388240510 1352558772 /nfs/dbraw/zinc/55/87/72/1352558772.db2.gz JIVXVAUQLYNTHB-KGLIPLIRSA-N -1 1 349.475 2.684 10 0 EFAEMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@H](C)C(C)(C)C ZINC001388887051 1353113112 /nfs/dbraw/zinc/11/31/12/1353113112.db2.gz DEVBJBPFADYZOA-KBPBESRZSA-N -1 1 349.475 2.730 10 0 EFAEMM CC(C)C[C@H](CNC(=O)C[C@H](C)C(C)C)NC(=O)c1ncccc1[O-] ZINC001391390560 1355159811 /nfs/dbraw/zinc/15/98/11/1355159811.db2.gz GITVVNCLSKSIDW-LSDHHAIUSA-N -1 1 349.475 2.730 10 0 EFAEMM C[C@H]([C@H](C)C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-])C(C)(C)C ZINC001391810341 1355552554 /nfs/dbraw/zinc/55/25/54/1355552554.db2.gz VFXDIKPXXKBSAS-UONOGXRCSA-N -1 1 349.475 2.636 10 0 EFAEMM CCC[C@@H](C)CC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001395329049 1358533944 /nfs/dbraw/zinc/53/39/44/1358533944.db2.gz YQXDSOIXVNEGQG-HIFRSBDPSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)CCCC(=O)N[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001395388368 1358562673 /nfs/dbraw/zinc/56/26/73/1358562673.db2.gz YUOQNACJZIKZAY-GJZGRUSLSA-N -1 1 347.459 2.771 10 0 EFAEMM CCN(CCNC(=O)C[C@H]1CCCC[C@@H]1C)C(=O)c1ncccc1[O-] ZINC001398108292 1360315734 /nfs/dbraw/zinc/31/57/34/1360315734.db2.gz QYHVKSFIHQSZSC-LSDHHAIUSA-N -1 1 347.459 2.582 10 0 EFAEMM CCCN(CCNC(=O)C[C@@H]1CC[C@H](C)C1)C(=O)c1ncccc1[O-] ZINC001398267450 1360431094 /nfs/dbraw/zinc/43/10/94/1360431094.db2.gz FPEAKWRPQPLPEX-LSDHHAIUSA-N -1 1 347.459 2.582 10 0 EFAEMM Cc1cnc([C@@H](C)N(C)CCN(C(=O)c2ncccc2[O-])C(C)C)o1 ZINC001403921757 1365045183 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CCCC[C@H](CC)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001406455282 1367608603 /nfs/dbraw/zinc/60/86/03/1367608603.db2.gz ROZAVRUFQQXQLA-GJZGRUSLSA-N -1 1 347.459 2.677 10 0 EFAEMM O=C(CCC1CCCCC1)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001407883150 1369346730 /nfs/dbraw/zinc/34/67/30/1369346730.db2.gz ZTGFMZSZOWKGSM-GASCZTMLSA-N -1 1 345.443 2.525 10 0 EFAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC(C)(C)CC ZINC001414276521 1370164198 /nfs/dbraw/zinc/16/41/98/1370164198.db2.gz BHOUTADWMSPUJE-UONOGXRCSA-N -1 1 347.459 2.723 10 0 EFAEMM CO[C@@H](C)CN(C(=O)NCCc1c(F)cc([O-])cc1F)C(C)C ZINC001414731449 1370646981 /nfs/dbraw/zinc/64/69/81/1370646981.db2.gz MOMPJSHXAXILJG-NSHDSACASA-N -1 1 330.375 2.668 10 0 EFAEMM CO[C@H](C)CN(C(=O)NCCc1c(F)cc([O-])cc1F)C(C)C ZINC001414731448 1370647299 /nfs/dbraw/zinc/64/72/99/1370647299.db2.gz MOMPJSHXAXILJG-LLVKDONJSA-N -1 1 330.375 2.668 10 0 EFAEMM CC[C@@H](C)CCC(=O)NC[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001415035934 1370940740 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O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2cccc(F)c2)CC1 ZINC000137004990 1423576312 /nfs/dbraw/zinc/57/63/12/1423576312.db2.gz DNCMOXNWQVOGNB-UHFFFAOYSA-N -1 1 337.358 2.600 10 0 EFAEMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(C2CCCCC2)[nH]n1 ZINC000125120990 1423614948 /nfs/dbraw/zinc/61/49/48/1423614948.db2.gz WXLXYYPZALLUMM-UHFFFAOYSA-N -1 1 337.387 2.890 10 0 EFAEMM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136982803 1423631297 /nfs/dbraw/zinc/63/12/97/1423631297.db2.gz OJQBHEBIPCBLNH-LBPRGKRZSA-N -1 1 339.374 2.747 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001721562743 1423823873 /nfs/dbraw/zinc/82/38/73/1423823873.db2.gz MVVZGUXPOMFVLM-SHTZXODSSA-N -1 1 345.443 2.691 10 0 EFAEMM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]cc1-c1ccccc1 ZINC000347515932 1423836008 /nfs/dbraw/zinc/83/60/08/1423836008.db2.gz KULTVGOFOIQNMQ-UHFFFAOYSA-N -1 1 344.378 2.792 10 0 EFAEMM CC/C(C)=C/C(=O)N1CCCC[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001721635925 1423886929 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CC/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](CC)C1 ZINC001721983589 1424098795 /nfs/dbraw/zinc/09/87/95/1424098795.db2.gz JYNYJKRCTOXOSJ-ROWADEJNSA-N -1 1 345.443 2.500 10 0 EFAEMM O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135545155 1424212524 /nfs/dbraw/zinc/21/25/24/1424212524.db2.gz ZCWUPESIAVILEM-UHFFFAOYSA-N -1 1 347.422 2.851 10 0 EFAEMM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c2ccccc2n1 ZINC000178190533 1424358575 /nfs/dbraw/zinc/35/85/75/1424358575.db2.gz VOJNAEZKEJPMQT-UHFFFAOYSA-N -1 1 344.378 2.899 10 0 EFAEMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000711409808 1424442334 /nfs/dbraw/zinc/44/23/34/1424442334.db2.gz DIDSAUMKRLSNPV-VDISTLRHSA-N -1 1 344.419 2.582 10 0 EFAEMM CCC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1nnn[n-]1 ZINC000136710113 1424470696 /nfs/dbraw/zinc/47/06/96/1424470696.db2.gz BJTLBAVUXZAJQM-AWEZNQCLSA-N -1 1 331.420 2.534 10 0 EFAEMM CCC[C@@H](NC(=O)COc1cc(C(C)C)ccc1C)c1nnn[n-]1 ZINC000136725182 1424567436 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O=C(c1ccc(Br)cc1[O-])N1CC[C@@H](c2cnccn2)C1 ZINC001363638731 1336967425 /nfs/dbraw/zinc/96/74/25/1336967425.db2.gz XEJZLNBYDIGDTG-SNVBAGLBSA-N -1 1 348.200 2.574 10 0 EFAEMM COC[C@H](CNC(=O)c1cc(Br)ccc1[O-])C(C)C ZINC001363645494 1336970577 /nfs/dbraw/zinc/97/05/77/1336970577.db2.gz LLCGSJQZEPMOBL-JTQLQIEISA-N -1 1 330.222 2.803 10 0 EFAEMM Cc1cnc(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)c([O-])c1 ZINC001363651691 1336973985 /nfs/dbraw/zinc/97/39/85/1336973985.db2.gz YKDNVYXCWRJGTN-GFCCVEGCSA-N -1 1 340.301 2.578 10 0 EFAEMM CC(C)Nc1ccc(C(=O)NCCc2c(F)cc([O-])cc2F)cn1 ZINC001363652916 1336974843 /nfs/dbraw/zinc/97/48/43/1336974843.db2.gz MNBLOSKOCJYOQZ-UHFFFAOYSA-N -1 1 335.354 2.858 10 0 EFAEMM O=C(NCC1(C2(O)CCC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001363653128 1336974907 /nfs/dbraw/zinc/97/49/07/1336974907.db2.gz OJFQZDZDMFBQFI-UHFFFAOYSA-N -1 1 329.318 2.836 10 0 EFAEMM COc1cnc(C2(NC(=O)C[C@@H]3C[C@H]3C3CC3)CCCC2)[n-]c1=O ZINC001363657811 1336978367 /nfs/dbraw/zinc/97/83/67/1336978367.db2.gz UGCRQVJPHPSRDK-STQMWFEESA-N -1 1 331.416 2.513 10 0 EFAEMM O=C(NCCc1c(F)cc([O-])cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC001363658503 1336978472 /nfs/dbraw/zinc/97/84/72/1336978472.db2.gz WVYDQXIMNIZOFR-UHFFFAOYSA-N -1 1 346.333 2.528 10 0 EFAEMM COc1cn(C)nc1[C@@H](C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001363659911 1336979235 /nfs/dbraw/zinc/97/92/35/1336979235.db2.gz UDOAYEZUDBUFGL-MRVPVSSYSA-N -1 1 345.296 2.676 10 0 EFAEMM COc1nscc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC001363757669 1337028026 /nfs/dbraw/zinc/02/80/26/1337028026.db2.gz FNWIUGYJHHAECF-UHFFFAOYSA-N -1 1 339.442 2.821 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC001363813271 1337064000 /nfs/dbraw/zinc/06/40/00/1337064000.db2.gz ZQLMEFFYXUVRFC-HNNXBMFYSA-N -1 1 327.432 2.695 10 0 EFAEMM CN1CCc2cc(NC(=O)Cc3ccc([O-])c(Cl)c3)ccc2C1=O ZINC001363856948 1337084890 /nfs/dbraw/zinc/08/48/90/1337084890.db2.gz KTWGIWIFGBUEEP-UHFFFAOYSA-N -1 1 344.798 2.855 10 0 EFAEMM C[C@H]([NH2+]C1(CNC(=O)c2ncccc2[O-])CC1)c1ccccc1F ZINC001367995056 1339148753 /nfs/dbraw/zinc/14/87/53/1339148753.db2.gz MGEDQQVTOVASJA-LBPRGKRZSA-N -1 1 329.375 2.540 10 0 EFAEMM CC(C)N(CCN(C)C(=O)c1ncccc1[O-])C(=O)C1CC(C)(C)C1 ZINC001371065273 1340339515 /nfs/dbraw/zinc/33/95/15/1340339515.db2.gz FHNKHQDOVNLRBW-UHFFFAOYSA-N -1 1 347.459 2.532 10 0 EFAEMM CC(C)CCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001376460778 1343609691 /nfs/dbraw/zinc/60/96/91/1343609691.db2.gz UFVNLSLVDPPZHL-GJZGRUSLSA-N -1 1 347.459 2.628 10 0 EFAEMM CC(C)N(CCN(C)Cc1ccccc1F)C(=O)c1ncccc1[O-] ZINC001379995893 1347445126 /nfs/dbraw/zinc/44/51/26/1347445126.db2.gz GBELFVVHUWIGJN-UHFFFAOYSA-N -1 1 345.418 2.909 10 0 EFAEMM CCCC[C@@H](CC)C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001381898510 1348596574 /nfs/dbraw/zinc/59/65/74/1348596574.db2.gz ZKAXTFQBZHQDOU-UONOGXRCSA-N -1 1 335.448 2.580 10 0 EFAEMM CCCC[C@H](CC)C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001381898498 1348596681 /nfs/dbraw/zinc/59/66/81/1348596681.db2.gz ZKAXTFQBZHQDOU-KBPBESRZSA-N -1 1 335.448 2.580 10 0 EFAEMM CC(C)CCCC(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-] ZINC001382870908 1349225005 /nfs/dbraw/zinc/22/50/05/1349225005.db2.gz ACZABYUNGDSHHX-UHFFFAOYSA-N -1 1 349.475 2.828 10 0 EFAEMM CC(C)C[C@@H](C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001384358875 1350048256 /nfs/dbraw/zinc/04/82/56/1350048256.db2.gz RGFUVYLSKUGTOB-UKRRQHHQSA-N -1 1 349.475 2.730 10 0 EFAEMM CC(C)CCC(=O)N(C)C[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001385089809 1350570148 /nfs/dbraw/zinc/57/01/48/1350570148.db2.gz UZCBWUXRRQSDSW-HNNXBMFYSA-N -1 1 347.459 2.677 10 0 EFAEMM C[C@H](CC(C)(C)C)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001385318451 1350718450 /nfs/dbraw/zinc/71/84/50/1350718450.db2.gz NNSICYNEWDKPPI-CQSZACIVSA-N -1 1 347.459 2.534 10 0 EFAEMM CC(C)C[C@@H](C)CC(=O)N[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001394300863 1357686361 /nfs/dbraw/zinc/68/63/61/1357686361.db2.gz ZNUOHJFHXXIRMD-KUHUBIRLSA-N -1 1 347.459 2.580 10 0 EFAEMM CCC[C@H](C)C(=O)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001395253532 1358481007 /nfs/dbraw/zinc/48/10/07/1358481007.db2.gz BMUJQLLVTHHERO-GJZGRUSLSA-N -1 1 347.459 2.724 10 0 EFAEMM CCC[C@@H](C)C(=O)NC[C@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001395253535 1358481307 /nfs/dbraw/zinc/48/13/07/1358481307.db2.gz BMUJQLLVTHHERO-HUUCEWRRSA-N -1 1 347.459 2.724 10 0 EFAEMM CC(C)[C@@H](C)C(=O)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001395263028 1358491341 /nfs/dbraw/zinc/49/13/41/1358491341.db2.gz BUSHPYUZUQNBEM-CABCVRRESA-N -1 1 347.459 2.580 10 0 EFAEMM CCCC(C)(C)C(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001395339303 1358543071 /nfs/dbraw/zinc/54/30/71/1358543071.db2.gz UZDQOFHUAVOLBK-AWEZNQCLSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)CCCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001395388366 1358562575 /nfs/dbraw/zinc/56/25/75/1358562575.db2.gz YUOQNACJZIKZAY-CABCVRRESA-N -1 1 347.459 2.771 10 0 EFAEMM CC(C)[C@@H](CCNC(=O)CCC1CCC1)NC(=O)c1ncccc1[O-] ZINC001395462282 1358620475 /nfs/dbraw/zinc/62/04/75/1358620475.db2.gz YABRUVPAPIHTNZ-OAHLLOKOSA-N -1 1 347.459 2.628 10 0 EFAEMM CC1(C)OC[C@H](CCSc2nc([O-])cc(=O)n2C2CCCC2)O1 ZINC001413925368 1358686054 /nfs/dbraw/zinc/68/60/54/1358686054.db2.gz ILTJVQRMUXQVRJ-LBPRGKRZSA-N -1 1 340.445 2.698 10 0 EFAEMM CC(C)N(CCN(C)C(=O)C1(C(C)C)CC1)C(=O)c1ncccc1[O-] ZINC001396096627 1359042823 /nfs/dbraw/zinc/04/28/23/1359042823.db2.gz NMNWHJSPHCMDDY-UHFFFAOYSA-N -1 1 347.459 2.532 10 0 EFAEMM C[C@H](C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)(C)C)C(C)(C)C ZINC001396123547 1359073431 /nfs/dbraw/zinc/07/34/31/1359073431.db2.gz GQAMHMDICKTPCP-TZMCWYRMSA-N -1 1 349.475 2.730 10 0 EFAEMM C[C@H](C[C@H](C)NC(=O)C(C)(C)C(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001396254772 1359169323 /nfs/dbraw/zinc/16/93/23/1359169323.db2.gz OXIHUHGHGPQIFR-OLZOCXBDSA-N -1 1 349.475 2.873 10 0 EFAEMM CC[C@@H]1[C@@H](NC(=O)C(C)(CC)CC)CCN1C(=O)c1ncccc1[O-] ZINC001396581191 1359347195 /nfs/dbraw/zinc/34/71/95/1359347195.db2.gz IQHCLVRPTBUUFC-UONOGXRCSA-N -1 1 347.459 2.723 10 0 EFAEMM CC(C)C[C@H](C)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001396606138 1359365692 /nfs/dbraw/zinc/36/56/92/1359365692.db2.gz ZZFJLEBDZVJVJK-ZNMIVQPWSA-N -1 1 347.459 2.579 10 0 EFAEMM CC[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001396745455 1359444253 /nfs/dbraw/zinc/44/42/53/1359444253.db2.gz ZJTBHGMWBLGCMI-ZIAGYGMSSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCN(CCNC(=O)C[C@@H]1CC[C@@H](C)C1)C(=O)c1ncccc1[O-] ZINC001398267447 1360431015 /nfs/dbraw/zinc/43/10/15/1360431015.db2.gz FPEAKWRPQPLPEX-HUUCEWRRSA-N -1 1 347.459 2.582 10 0 EFAEMM CCCC[C@@H](C)C(=O)N[C@](C)(CNC(=O)c1ncccc1[O-])C1CC1 ZINC001399181508 1361051894 /nfs/dbraw/zinc/05/18/94/1361051894.db2.gz PZCKUYJTUYEVEI-BFUOFWGJSA-N -1 1 347.459 2.628 10 0 EFAEMM CC[C@H](C)CCC(=O)N[C@@](C)(CNC(=O)c1ncccc1[O-])C1CC1 ZINC001399190669 1361057060 /nfs/dbraw/zinc/05/70/60/1361057060.db2.gz AWIJRPYWJWJYJR-DJJJIMSYSA-N -1 1 347.459 2.628 10 0 EFAEMM CCC[C@H](C)CCCC(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001400412319 1361965451 /nfs/dbraw/zinc/96/54/51/1361965451.db2.gz CXUQPTCMRANYKY-LSDHHAIUSA-N -1 1 347.459 2.724 10 0 EFAEMM CCC[C@H](C)CCCC(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001400412281 1361965652 /nfs/dbraw/zinc/96/56/52/1361965652.db2.gz CXUQPTCMRANYKY-GJZGRUSLSA-N -1 1 347.459 2.724 10 0 EFAEMM C[C@H](CC(=O)N1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001400897918 1362239805 /nfs/dbraw/zinc/23/98/05/1362239805.db2.gz UHZKVDAWMNIBQW-BFUOFWGJSA-N -1 1 347.459 2.580 10 0 EFAEMM Cc1nsc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1O ZINC001403093693 1364298918 /nfs/dbraw/zinc/29/89/18/1364298918.db2.gz AUSODYZHPREAAA-LLVKDONJSA-N -1 1 333.457 2.716 10 0 EFAEMM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1ncccc1F ZINC001462063481 1396418431 /nfs/dbraw/zinc/41/84/31/1396418431.db2.gz VQBRSUOQPXDPPA-UHFFFAOYSA-N -1 1 342.224 2.979 10 0 EFAEMM Cc1cc(CN(C)CCN(C(=O)c2ncccc2[O-])C(C)C)sn1 ZINC001403936534 1365067899 /nfs/dbraw/zinc/06/78/99/1365067899.db2.gz WNHOAZIJANUNPH-UHFFFAOYSA-N -1 1 348.472 2.535 10 0 EFAEMM Cc1cnc(F)c(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC001467242870 1396829299 /nfs/dbraw/zinc/82/92/99/1396829299.db2.gz WXIGTRQLFRSOKD-UHFFFAOYSA-N -1 1 326.125 2.645 10 0 EFAEMM CCCC[C@H](CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001406315810 1367473406 /nfs/dbraw/zinc/47/34/06/1367473406.db2.gz XCEZGTNLCOLFRH-QLFBSQMISA-N -1 1 347.459 2.580 10 0 EFAEMM CC[C@H](CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C)C(C)C ZINC001406773501 1368031157 /nfs/dbraw/zinc/03/11/57/1368031157.db2.gz RTVYSSZKGGNBCI-KFWWJZLASA-N -1 1 347.459 2.579 10 0 EFAEMM CC(C)CCC(=O)N1CCCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001406800775 1368071996 /nfs/dbraw/zinc/07/19/96/1368071996.db2.gz YRYDKAYBBPOACT-HNNXBMFYSA-N -1 1 347.459 2.677 10 0 EFAEMM CC[C@H](CC(C)C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001414329168 1370225993 /nfs/dbraw/zinc/22/59/93/1370225993.db2.gz GXFMNDUDWDEWOO-KFWWJZLASA-N -1 1 347.459 2.579 10 0 EFAEMM O=C(NCCc1c(F)cc([O-])cc1F)NC[C@H]1Cc2ccccc2O1 ZINC001414693997 1370595524 /nfs/dbraw/zinc/59/55/24/1370595524.db2.gz NGQSGYRIFMWVPP-CYBMUJFWSA-N -1 1 348.349 2.516 10 0 EFAEMM CCC[C@@H](C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)C)C(C)C ZINC001416631782 1372331290 /nfs/dbraw/zinc/33/12/90/1372331290.db2.gz QKXQBUQZOSRDAX-CABCVRRESA-N -1 1 349.475 2.730 10 0 EFAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccn(C3CCCC3)n2)[n-]1 ZINC001417580014 1373058302 /nfs/dbraw/zinc/05/83/02/1373058302.db2.gz QFCLVQLZJJBRQO-UHFFFAOYSA-N -1 1 344.371 2.568 10 0 EFAEMM CCOC(=O)c1nc(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)[n-]c1Cl ZINC001417583941 1373063254 /nfs/dbraw/zinc/06/32/54/1373063254.db2.gz YQKSNBRUGIMIPL-UWVGGRQHSA-N -1 1 341.795 2.526 10 0 EFAEMM COc1cc2c(cc1OC)CN(C(=O)c1cccc([O-])c1F)CC2 ZINC001417603970 1373084026 /nfs/dbraw/zinc/08/40/26/1373084026.db2.gz UHWUUSHYVRULLA-UHFFFAOYSA-N -1 1 331.343 2.747 10 0 EFAEMM COCCN(C(=O)c1cnc(SC)[n-]c1=O)[C@@H](C)c1ccccc1 ZINC001417621410 1373100591 /nfs/dbraw/zinc/10/05/91/1373100591.db2.gz JVPFUDHOHXUZHK-LBPRGKRZSA-N -1 1 347.440 2.754 10 0 EFAEMM O=C(c1ccc([O-])cn1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001417641689 1373115634 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CCCC[C@@H](C)N(CCCC)C(=O)CNC(=O)c1ncccc1[O-] ZINC001417877043 1373368347 /nfs/dbraw/zinc/36/83/47/1373368347.db2.gz PBEGFFPHSYTQIA-CQSZACIVSA-N -1 1 335.448 2.724 10 0 EFAEMM C[C@@H](C[C@H](C)NC(=O)c1cccc([O-])c1F)NC(=O)OC(C)(C)C ZINC001418179864 1373740841 /nfs/dbraw/zinc/74/08/41/1373740841.db2.gz WSSRVZFIYJUAFP-QWRGUYRKSA-N -1 1 340.395 2.953 10 0 EFAEMM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)c1cccc([O-])c1F ZINC001418179863 1373740881 /nfs/dbraw/zinc/74/08/81/1373740881.db2.gz WSSRVZFIYJUAFP-MNOVXSKESA-N -1 1 340.395 2.953 10 0 EFAEMM O=C(c1ccc([O-])cn1)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001418312429 1373891680 /nfs/dbraw/zinc/89/16/80/1373891680.db2.gz PSCIBPJPXZKBNQ-KRWDZBQOSA-N -1 1 332.787 2.564 10 0 EFAEMM O=C(NC[C@]1(CO)CCc2ccccc21)c1ccc(Cl)cc1[O-] ZINC001418370236 1373945361 /nfs/dbraw/zinc/94/53/61/1373945361.db2.gz ZGJLKNYFJUFXDA-SFHVURJKSA-N -1 1 331.799 2.652 10 0 EFAEMM O=C(c1ccc([O-])c(Cl)c1)N1CCN[C@@H](Cc2ccc(F)cc2)C1 ZINC001418671585 1374346309 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2.861 10 0 EFAEMM O=C(NC1(c2ccc3c(c2)OCCO3)CC1)c1c([O-])cccc1F ZINC001420090893 1376445794 /nfs/dbraw/zinc/44/57/94/1376445794.db2.gz HVAYORRXWWUCSN-UHFFFAOYSA-N -1 1 329.327 2.722 10 0 EFAEMM CSc1ncc(C(=O)N2CCO[C@@H](c3ccccc3)CC2)c(=O)[n-]1 ZINC001420656180 1377430666 /nfs/dbraw/zinc/43/06/66/1377430666.db2.gz BOZMJGBVZFTQHH-CQSZACIVSA-N -1 1 345.424 2.508 10 0 EFAEMM O=C([N-]Cc1noc2ccc(F)cc21)C(F)(F)c1nccs1 ZINC001438594736 1388688396 /nfs/dbraw/zinc/68/83/96/1388688396.db2.gz RCBIYEOAMGFWJG-UHFFFAOYSA-N -1 1 327.287 2.832 10 0 EFAEMM CCC[C@@H](CC)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001423738741 1382366010 /nfs/dbraw/zinc/36/60/10/1382366010.db2.gz MTUXYLSJXGVBAA-HUUCEWRRSA-N -1 1 347.459 2.677 10 0 EFAEMM C[C@@H]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CN1C(=O)c1ncccc1[O-] ZINC001425611039 1383712333 /nfs/dbraw/zinc/71/23/33/1383712333.db2.gz SODSYYGXMHNLLU-CHWSQXEVSA-N -1 1 347.459 2.579 10 0 EFAEMM C[C@H]1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CN1C(=O)c1ncccc1[O-] ZINC001425611075 1383713132 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EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)c1 ZINC001444812692 1391510249 /nfs/dbraw/zinc/51/02/49/1391510249.db2.gz OXRCVQBBRNBDHV-GFCCVEGCSA-N -1 1 331.343 2.850 10 0 EFAEMM Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3ccc([O-])cn3)C2)cc1 ZINC001446774358 1391599212 /nfs/dbraw/zinc/59/92/12/1391599212.db2.gz BBRPEPQTBZDEPT-INIZCTEOSA-N -1 1 325.412 2.837 10 0 EFAEMM O=C(c1cc2c(ccnc2Cl)o1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001448223812 1392031391 /nfs/dbraw/zinc/03/13/91/1392031391.db2.gz CKQFXWRWDMKYKM-MRVPVSSYSA-N -1 1 348.746 2.590 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NCc2ccncc2C(F)(F)F)c1 ZINC001448621295 1392119725 /nfs/dbraw/zinc/11/97/25/1392119725.db2.gz MJEAMUGMVXLBDU-UHFFFAOYSA-N -1 1 338.285 2.857 10 0 EFAEMM CC[C@@H]1CCC[C@]1(C)C(=O)N(CC)CCNC(=O)c1ncccc1[O-] ZINC001449350642 1392262673 /nfs/dbraw/zinc/26/26/73/1392262673.db2.gz JDWJIYWNTZLJCI-KUHUBIRLSA-N -1 1 347.459 2.582 10 0 EFAEMM CCCN(C(=O)[C@@H](C)C(C)C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001450021460 1392504790 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FRHAFZSLKDECLA-UHFFFAOYSA-N -1 1 335.363 2.624 10 0 EFAEMM O=C(Nc1nc(C(F)(F)F)cs1)c1ccc2n[n-]c(=S)n2c1 ZINC001558910917 1415210230 /nfs/dbraw/zinc/21/02/30/1415210230.db2.gz DEBDIQJHSFHENA-UHFFFAOYSA-N -1 1 345.331 2.746 10 0 EFAEMM CCc1ccccc1-n1cc(C(=O)Nc2ccc(F)cc2[O-])nn1 ZINC001558955942 1415213558 /nfs/dbraw/zinc/21/35/58/1415213558.db2.gz QAMPAADAYAYGKB-UHFFFAOYSA-N -1 1 326.331 2.927 10 0 EFAEMM Cc1nc(SCc2cc3ccccc3n(C)c2=O)[n-]c(=O)c1C ZINC001559393712 1415242764 /nfs/dbraw/zinc/24/27/64/1415242764.db2.gz YGDXEJDUGYNKCK-UHFFFAOYSA-N -1 1 327.409 2.943 10 0 EFAEMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(I)cc1[O-] ZINC001565668781 1415407534 /nfs/dbraw/zinc/40/75/34/1415407534.db2.gz QQFFNKMKMGQAOH-KCJUWKMLSA-N -1 1 345.180 2.915 10 0 EFAEMM Cc1cccc([C@H](C)CNC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC001565897193 1415445943 /nfs/dbraw/zinc/44/59/43/1415445943.db2.gz LCQDVZJTSODSPB-GFCCVEGCSA-N -1 1 326.425 2.860 10 0 EFAEMM O=C(Nc1nn[n-]n1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001565958256 1415463472 /nfs/dbraw/zinc/46/34/72/1415463472.db2.gz NCWXHTJBRRDFAN-UHFFFAOYSA-N -1 1 341.183 2.882 10 0 EFAEMM CSc1ccc(F)cc1CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001565996115 1415476603 /nfs/dbraw/zinc/47/66/03/1415476603.db2.gz CZBNNDHUHFJIRC-UHFFFAOYSA-N -1 1 339.417 2.570 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc(OC)c(F)c2)c1 ZINC001566323029 1415540039 /nfs/dbraw/zinc/54/00/39/1415540039.db2.gz MNYLIRGSVWVCRA-UHFFFAOYSA-N -1 1 344.342 2.941 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C)CCc2ccc(O)cc2)c1 ZINC001566368405 1415543601 /nfs/dbraw/zinc/54/36/01/1415543601.db2.gz NPXYCMRSDTWKSI-ZDUSSCGKSA-N -1 1 327.380 2.970 10 0 EFAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NOCc3cccnc3)c2)o1 ZINC001566547904 1415631904 /nfs/dbraw/zinc/63/19/04/1415631904.db2.gz LNGIWNZBRWTODH-UHFFFAOYSA-N -1 1 338.319 2.721 10 0 EFAEMM Cc1ncc(CCNC(=O)c2c([O-])cnc3c(F)cccc32)s1 ZINC001566616295 1415697578 /nfs/dbraw/zinc/69/75/78/1415697578.db2.gz VUWTXLNHSVUFKL-UHFFFAOYSA-N -1 1 331.372 2.817 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@](C)(O)c2ccccc2Cl)c1 ZINC001567321556 1416071190 /nfs/dbraw/zinc/07/11/90/1416071190.db2.gz YBVPVMTTYJDFQW-GOSISDBHSA-N -1 1 347.798 2.804 10 0 EFAEMM COc1cc(NC(=O)C(=O)c2ccc([O-])cc2)c(OC)c(C)c1OC ZINC001568115192 1416414972 /nfs/dbraw/zinc/41/49/72/1416414972.db2.gz YOBPQXCQKNJYRY-UHFFFAOYSA-N -1 1 345.351 2.548 10 0 EFAEMM CC[C@@H]1C[C@H]1NC(=O)c1ccc(I)cc1[O-] ZINC001568189734 1416436830 /nfs/dbraw/zinc/43/68/30/1416436830.db2.gz PFYAMUVIMNLSAA-GMSGAONNSA-N -1 1 331.153 2.525 10 0 EFAEMM CCN(OC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC001645879280 1416578263 /nfs/dbraw/zinc/57/82/63/1416578263.db2.gz XCKNUXAJGJBJPE-UHFFFAOYSA-N -1 1 348.424 2.819 10 0 EFAEMM CCC[C@H](NC(=O)c1ccc(OC(F)(F)F)c(C)c1)c1nnn[n-]1 ZINC000859945523 1429113311 /nfs/dbraw/zinc/11/33/11/1429113311.db2.gz RRHGAPZWDVHERE-JTQLQIEISA-N -1 1 343.309 2.678 10 0 EFAEMM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2cnc(C3CC3)o2)CC1 ZINC001646228622 1416636341 /nfs/dbraw/zinc/63/63/41/1416636341.db2.gz YMURWJCROIVEHE-UHFFFAOYSA-N -1 1 330.388 2.592 10 0 EFAEMM CCC1(CC)CN(C[C@H](C)C(=O)c2ccc([O-])cc2)CC[S@]1=O ZINC001646316184 1416647380 /nfs/dbraw/zinc/64/73/80/1416647380.db2.gz KNEWOAPBMZUHHB-LFVRLGFBSA-N -1 1 337.485 2.834 10 0 EFAEMM CC(C)=C(C)CC(=O)N(CCCNC(=O)c1ncccc1[O-])C1CC1 ZINC001687816404 1416883021 /nfs/dbraw/zinc/88/30/21/1416883021.db2.gz RXRYZHSAWVECML-UHFFFAOYSA-N -1 1 345.443 2.645 10 0 EFAEMM CCC[C@@H]1CCC[C@H]1C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001703569407 1417863310 /nfs/dbraw/zinc/86/33/10/1417863310.db2.gz NPPKTNOOQOVRQL-HUUCEWRRSA-N -1 1 347.459 2.582 10 0 EFAEMM CCC[C@@H]1CCC[C@@H]1C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001703569405 1417863452 /nfs/dbraw/zinc/86/34/52/1417863452.db2.gz NPPKTNOOQOVRQL-CABCVRRESA-N -1 1 347.459 2.582 10 0 EFAEMM CC[C@H](C)CCCCC(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001704573560 1417989999 /nfs/dbraw/zinc/98/99/99/1417989999.db2.gz CKIQWFQWOIYODT-AWEZNQCLSA-N -1 1 347.459 2.582 10 0 EFAEMM CCCCCC(=O)NCCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001704731390 1418095680 /nfs/dbraw/zinc/09/56/80/1418095680.db2.gz QLRFVZSLGDZGMC-UHFFFAOYSA-N -1 1 347.459 2.726 10 0 EFAEMM C=C/C(C)=C/CC(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001704794393 1418146582 /nfs/dbraw/zinc/14/65/82/1418146582.db2.gz AKHAASPUAATBPC-UJMHRVFCSA-N -1 1 345.443 2.570 10 0 EFAEMM C/C=C(\C)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CCCCC1 ZINC001704805029 1418156893 /nfs/dbraw/zinc/15/68/93/1418156893.db2.gz VRLOTJGXODNCDP-TVBJEHIUSA-N -1 1 345.443 2.548 10 0 EFAEMM CCC(C)(C)c1ccccc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000935037054 1429252078 /nfs/dbraw/zinc/25/20/78/1429252078.db2.gz MOJIGYLGTFSRPX-ZDUSSCGKSA-N -1 1 327.432 2.907 10 0 EFAEMM Cc1n[nH]c(C(=O)NCC=CCN[C@H](C)c2ccccc2Cl)c1[O-] ZINC001716285458 1418751441 /nfs/dbraw/zinc/75/14/41/1418751441.db2.gz BKDIXUNWCKNOEZ-MVIFTORASA-N -1 1 348.834 2.714 10 0 EFAEMM O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc([O-])cc1F ZINC000164806467 1419526672 /nfs/dbraw/zinc/52/66/72/1419526672.db2.gz FUTMWPYXEHWBGG-JTQLQIEISA-N -1 1 335.766 2.588 10 0 EFAEMM O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc([O-])cc1F ZINC000164806579 1419526784 /nfs/dbraw/zinc/52/67/84/1419526784.db2.gz FUTMWPYXEHWBGG-SNVBAGLBSA-N -1 1 335.766 2.588 10 0 EFAEMM CCC(=CC(=O)N[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1)CC ZINC001718360280 1422218621 /nfs/dbraw/zinc/21/86/21/1422218621.db2.gz GVBCKNQNVLXSGV-GJZGRUSLSA-N -1 1 345.443 2.691 10 0 EFAEMM CCCCCCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001718360525 1422219695 /nfs/dbraw/zinc/21/96/95/1422219695.db2.gz HTIRIRCJZFZDMV-HUUCEWRRSA-N -1 1 347.459 2.915 10 0 EFAEMM C[C@@H](CCCNC(=O)C[C@@H]1C=CCCC1)NC(=O)c1ncccc1[O-] ZINC001718392493 1422244582 /nfs/dbraw/zinc/24/45/82/1422244582.db2.gz DWMWZBDJDIOQFE-LSDHHAIUSA-N -1 1 345.443 2.548 10 0 EFAEMM CC1=C(C)C[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001718550805 1422353691 /nfs/dbraw/zinc/35/36/91/1422353691.db2.gz VBZNYGHEFMITSD-CABCVRRESA-N -1 1 345.443 2.500 10 0 EFAEMM CC1=C(C)C[C@H](C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001718550807 1422353762 /nfs/dbraw/zinc/35/37/62/1422353762.db2.gz VBZNYGHEFMITSD-HUUCEWRRSA-N -1 1 345.443 2.500 10 0 EFAEMM CCC(=CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)CC ZINC001718736972 1422452287 /nfs/dbraw/zinc/45/22/87/1422452287.db2.gz MRGQFKRSURPMKA-LSDHHAIUSA-N -1 1 345.443 2.548 10 0 EFAEMM CCC(=CC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)CC ZINC001718736971 1422452477 /nfs/dbraw/zinc/45/24/77/1422452477.db2.gz MRGQFKRSURPMKA-HUUCEWRRSA-N -1 1 345.443 2.548 10 0 EFAEMM CCCCCC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001718806596 1422475404 /nfs/dbraw/zinc/47/54/04/1422475404.db2.gz FLAJAEVSDHXJBQ-CQSZACIVSA-N -1 1 335.448 2.628 10 0 EFAEMM C[C@H](C[C@H](C)NC(=O)C1CCC=CCC1)NC(=O)c1ncccc1[O-] ZINC001718920950 1422556867 /nfs/dbraw/zinc/55/68/67/1422556867.db2.gz ZPGVXJJSYAUXBA-UONOGXRCSA-N -1 1 345.443 2.547 10 0 EFAEMM C[C@@H](C[C@H](C)NC(=O)C1CCC=CCC1)NC(=O)c1ncccc1[O-] ZINC001718920948 1422556883 /nfs/dbraw/zinc/55/68/83/1422556883.db2.gz ZPGVXJJSYAUXBA-KBPBESRZSA-N -1 1 345.443 2.547 10 0 EFAEMM C[C@@H](CCCCNC(=O)[C@@H]1CCC1(C)C)NC(=O)c1ncccc1[O-] ZINC001719015902 1422628938 /nfs/dbraw/zinc/62/89/38/1422628938.db2.gz ZFHORAPPLHEWFV-KBPBESRZSA-N -1 1 347.459 2.628 10 0 EFAEMM C[C@H](CC1CCCCC1)C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001720260700 1422795862 /nfs/dbraw/zinc/79/58/62/1422795862.db2.gz CVVMXWDOGCTNQH-CQSZACIVSA-N -1 1 347.459 2.630 10 0 EFAEMM CC[C@H](C)[C@@H](C)C(=O)NCCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001720666668 1423127024 /nfs/dbraw/zinc/12/70/24/1423127024.db2.gz YTVHXBHNGACECB-UONOGXRCSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCCCC[C@@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001720823056 1423223597 /nfs/dbraw/zinc/22/35/97/1423223597.db2.gz TVLHBGIOXHDCEE-KFWWJZLASA-N -1 1 347.459 2.771 10 0 EFAEMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000135572811 1423229207 /nfs/dbraw/zinc/22/92/07/1423229207.db2.gz KEDWEBBAJQNXMH-ZDUSSCGKSA-N -1 1 337.383 2.505 10 0 EFAEMM CC/C=C(\C)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001720858218 1423257979 /nfs/dbraw/zinc/25/79/79/1423257979.db2.gz GZANIDUSDPGZLK-YACGDJQHSA-N -1 1 345.443 2.500 10 0 EFAEMM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC[C@@H]1c1nnn[n-]1 ZINC000900394617 1423417235 /nfs/dbraw/zinc/41/72/35/1423417235.db2.gz VNZFCZSCEFBDOL-XJKSGUPXSA-N -1 1 342.447 2.942 10 0 EFAEMM C[C@H](N[C@@H]1CCCOc2cc(Br)ccc21)c1nnn[n-]1 ZINC000044926362 1423439644 /nfs/dbraw/zinc/43/96/44/1423439644.db2.gz QXEGCEMKHILNMA-GZMMTYOYSA-N -1 1 338.209 2.527 10 0 EFAEMM CC(C)c1ccc(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000117157016 1423472073 /nfs/dbraw/zinc/47/20/73/1423472073.db2.gz GJJNOTDOKUOMIF-SFHVURJKSA-N -1 1 335.411 2.771 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CCCc2c(O)cccc21 ZINC000190640672 1423541275 /nfs/dbraw/zinc/54/12/75/1423541275.db2.gz ZAQDWJKIZHDSEN-INIZCTEOSA-N -1 1 349.394 2.555 10 0 EFAEMM O=C(c1cccc(Nc2nn[n-]n2)c1)N1CC2CC1(c1ccccc1)C2 ZINC000912761938 1429659638 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CC1(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)CCC(F)(F)CC1 ZINC000910040207 1427085022 /nfs/dbraw/zinc/08/50/22/1427085022.db2.gz DXRXDKLISZXAPD-UHFFFAOYSA-N -1 1 335.358 2.945 10 0 EFAEMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)C1(C(F)(F)F)CCCC1 ZINC000913438241 1427192919 /nfs/dbraw/zinc/19/29/19/1427192919.db2.gz PWONUZFORCGVEQ-NSHDSACASA-N -1 1 339.321 2.528 10 0 EFAEMM O=C(C1CCC(c2ccccc2)CC1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000129319246 1428093006 /nfs/dbraw/zinc/09/30/06/1428093006.db2.gz FYCAWFDPKDJOHR-JCYILVPMSA-N -1 1 339.443 2.880 10 0 EFAEMM O=C(c1cccc(Nc2nn[n-]n2)c1)N1CCC[C@H]1c1cccs1 ZINC000899972506 1429938967 /nfs/dbraw/zinc/93/89/67/1429938967.db2.gz TUTKMINIXYMQNR-ZDUSSCGKSA-N -1 1 340.412 2.982 10 0 EFAEMM C[C@H]1c2sccc2CCN1C(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC000921512281 1430121207 /nfs/dbraw/zinc/12/12/07/1430121207.db2.gz VPXXEHYJGCEPMN-JTQLQIEISA-N -1 1 340.412 2.764 10 0 EFAEMM CC(=CC(=O)NC1(c2nnn[n-]2)CCCC1)c1ccccc1Cl ZINC000735448949 1430163355 /nfs/dbraw/zinc/16/33/55/1430163355.db2.gz NGVPIRWLHZIUER-ZHACJKMWSA-N -1 1 331.807 2.842 10 0 EFAEMM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)CCCc1nnn[n-]1 ZINC000899207552 1441531767 /nfs/dbraw/zinc/53/17/67/1441531767.db2.gz XPSCZPXZDLKQRM-CYBMUJFWSA-N -1 1 347.850 2.971 10 0 EFAEMM Cc1cc2c(CC(=O)N3CCC[C@H](c4nnn[n-]4)C3)csc2s1 ZINC000866901176 1441754713 /nfs/dbraw/zinc/75/47/13/1441754713.db2.gz AGLJAZRVILEYPC-JTQLQIEISA-N -1 1 347.469 2.733 10 0 EFAEMM CSC1CCC(CNC(=O)c2cccc(Nc3nn[n-]n3)c2)CC1 ZINC000927382489 1441777933 /nfs/dbraw/zinc/77/79/33/1441777933.db2.gz XPBHHMVSIQCSNR-UHFFFAOYSA-N -1 1 346.460 2.595 10 0 EFAEMM O=C(CC[C@H]1CCc2ccccc21)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000878377327 1442396412 /nfs/dbraw/zinc/39/64/12/1442396412.db2.gz BBPJFPCINWZFLX-DNVCBOLYSA-N -1 1 347.422 2.916 10 0 EFAEMM O=C(c1cccc(Nc2nn[n-]n2)c1)N(CC1CC1)CC1CCC1 ZINC000907925084 1443245254 /nfs/dbraw/zinc/24/52/54/1443245254.db2.gz CFQJMYHHXQTDGZ-UHFFFAOYSA-N -1 1 326.404 2.596 10 0 EFAEMM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC(c2nnn[n-]2)CC1 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CC(C)N(CCCNC(=O)c1ccsc1)C(=O)c1ncccc1[O-] ZINC001581569154 1091197333 /nfs/dbraw/zinc/19/73/33/1091197333.db2.gz PGBNIKKSYPDNCD-UHFFFAOYSA-N -1 1 347.440 2.519 10 0 EFAEMM CC/C=C(\C)C(=O)N(CCCNC(=O)c1ncccc1[O-])C(C)C ZINC001581594390 1091210192 /nfs/dbraw/zinc/21/01/92/1091210192.db2.gz TWKFFNPRVDTRLY-RIYZIHGNSA-N -1 1 333.432 2.500 10 0 EFAEMM CCCCCCC(=O)N(CC)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001582367624 1091467646 /nfs/dbraw/zinc/46/76/46/1091467646.db2.gz DCSDRJKKDOXOMG-HNNXBMFYSA-N -1 1 347.459 2.821 10 0 EFAEMM CCCCCCC(=O)N(CC)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001582367625 1091468082 /nfs/dbraw/zinc/46/80/82/1091468082.db2.gz DCSDRJKKDOXOMG-OAHLLOKOSA-N -1 1 347.459 2.821 10 0 EFAEMM CC(C)CCCCC(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001582944426 1091815452 /nfs/dbraw/zinc/81/54/52/1091815452.db2.gz WAZVVESAYLSUTD-UHFFFAOYSA-N -1 1 335.448 2.534 10 0 EFAEMM CC/C(C)=C\C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001584253922 1092133842 /nfs/dbraw/zinc/13/38/42/1092133842.db2.gz 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/nfs/dbraw/zinc/95/32/06/1320953206.db2.gz HMJOJRNONGMWRW-GEXIGZQTSA-N -1 1 347.459 2.652 10 0 EFAEMM CC/C=C(/C)C(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001285792462 1321085618 /nfs/dbraw/zinc/08/56/18/1321085618.db2.gz OUQVBCFQYBLMOK-ROWADEJNSA-N -1 1 345.443 2.548 10 0 EFAEMM CCCCCC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001286060531 1321211989 /nfs/dbraw/zinc/21/19/89/1321211989.db2.gz NZHWPPWHQDECEC-OAHLLOKOSA-N -1 1 347.459 2.772 10 0 EFAEMM CC(C(=O)N[C@@H](C)CCCNC(=O)c1ncccc1[O-])=C1CCCC1 ZINC001286613438 1321390751 /nfs/dbraw/zinc/39/07/51/1321390751.db2.gz AGDVKUXOOHOINK-ZDUSSCGKSA-N -1 1 345.443 2.692 10 0 EFAEMM C[C@H](CCCNC(=O)CC1CC(C)(C)C1)NC(=O)c1ncccc1[O-] ZINC001286658030 1321395259 /nfs/dbraw/zinc/39/52/59/1321395259.db2.gz HVOJILFCDUDVOJ-CYBMUJFWSA-N -1 1 347.459 2.628 10 0 EFAEMM CC(C)=C(C)CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001288001320 1321578287 /nfs/dbraw/zinc/57/82/87/1321578287.db2.gz MDSLBDUIFNUVIR-GJZGRUSLSA-N -1 1 345.443 2.643 10 0 EFAEMM C[C@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCC1(C)C ZINC001288859201 1321780367 /nfs/dbraw/zinc/78/03/67/1321780367.db2.gz KGZXFHRHRSZYDT-KGLIPLIRSA-N -1 1 347.459 2.628 10 0 EFAEMM O=C(COc1ccc(Br)cn1)Nc1ccc(F)cc1[O-] ZINC001306799185 1321822419 /nfs/dbraw/zinc/82/24/19/1321822419.db2.gz IDBMZBHFFXGMSU-UHFFFAOYSA-N -1 1 341.136 2.706 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 ZINC001290533401 1321920942 /nfs/dbraw/zinc/92/09/42/1321920942.db2.gz KZQNAEUUFFYPOP-SFHVURJKSA-N -1 1 338.407 2.642 10 0 EFAEMM CCOc1cc(F)ccc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001291631038 1321992504 /nfs/dbraw/zinc/99/25/04/1321992504.db2.gz IAFXOYAIFQPAJI-UHFFFAOYSA-N -1 1 332.360 2.808 10 0 EFAEMM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc3nccnc3c2)[n-]n1 ZINC001291674599 1321994659 /nfs/dbraw/zinc/99/46/59/1321994659.db2.gz PORKASKCLYRXCE-UHFFFAOYSA-N -1 1 339.355 2.561 10 0 EFAEMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001292140164 1322040568 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CC/C(C)=C\C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001295307546 1322677533 /nfs/dbraw/zinc/67/75/33/1322677533.db2.gz SRZSMTDSKAYAKP-MKQVVRHOSA-N -1 1 345.443 2.500 10 0 EFAEMM CC(C)=C(C)CC(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001295392464 1322693519 /nfs/dbraw/zinc/69/35/19/1322693519.db2.gz MVVZGUXPOMFVLM-UHFFFAOYSA-N -1 1 345.443 2.691 10 0 EFAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2C2CCC2)c1 ZINC001295510113 1322714278 /nfs/dbraw/zinc/71/42/78/1322714278.db2.gz VOJDOOGAYDODNN-UHFFFAOYSA-N -1 1 346.408 2.559 10 0 EFAEMM CCCN(C(=O)/C=C(\C)CC)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001296776748 1323015771 /nfs/dbraw/zinc/01/57/71/1323015771.db2.gz YDADNVPUWFCDJS-OKFGHLOFSA-N -1 1 345.443 2.597 10 0 EFAEMM C/C=C(\C)C(=O)N[C@]1(CNC(=O)c2ncccc2[O-])CCCC[C@H]1C ZINC001297588705 1323287948 /nfs/dbraw/zinc/28/79/48/1323287948.db2.gz CHJRUXYXTVYRGJ-XBUXAOHGSA-N -1 1 345.443 2.548 10 0 EFAEMM CCCCCCC(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001297630041 1323302926 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COc1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc2cccnc21 ZINC001298608488 1323575093 /nfs/dbraw/zinc/57/50/93/1323575093.db2.gz HZTUEHCTXOMFLC-UHFFFAOYSA-N -1 1 336.351 2.869 10 0 EFAEMM O=C(N[C@H]1CCCc2c(F)cccc21)c1ccc2n[n-]c(=S)n2c1 ZINC001298681547 1323588299 /nfs/dbraw/zinc/58/82/99/1323588299.db2.gz KYPCBVNZZVVHNJ-AWEZNQCLSA-N -1 1 342.399 2.965 10 0 EFAEMM CCCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](CC)C1 ZINC001298957502 1323644216 /nfs/dbraw/zinc/64/42/16/1323644216.db2.gz PBUFGSHGPRGOSQ-LSDHHAIUSA-N -1 1 347.459 2.724 10 0 EFAEMM CCC(CC)(CC)C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001492331770 1324427519 /nfs/dbraw/zinc/42/75/19/1324427519.db2.gz PFJPAYVBJONSSW-UHFFFAOYSA-N -1 1 335.448 2.582 10 0 EFAEMM C[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)S(C)(=O)=O ZINC001301158853 1324526682 /nfs/dbraw/zinc/52/66/82/1324526682.db2.gz KYNLRBBBPNNWFS-MRVPVSSYSA-N -1 1 327.789 2.570 10 0 EFAEMM Cc1cccc(CONC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001301635214 1324553376 /nfs/dbraw/zinc/55/33/76/1324553376.db2.gz JWHOYORETAWFQJ-UHFFFAOYSA-N -1 1 326.274 2.976 10 0 EFAEMM C=C/C=C\CCNC(=O)c1ccc(I)cc1[O-] ZINC001303177697 1324596184 /nfs/dbraw/zinc/59/61/84/1324596184.db2.gz WOZNIULKTGFOAY-ARJAWSKDSA-N -1 1 343.164 2.859 10 0 EFAEMM O=C(NCCc1ccnn1-c1ccccc1)c1ccc([O-])cc1F ZINC001303756517 1324618741 /nfs/dbraw/zinc/61/87/41/1324618741.db2.gz CDHZMKCKBJFKPZ-UHFFFAOYSA-N -1 1 325.343 2.690 10 0 EFAEMM Cc1cc(F)c(CNC(=O)c2ccc3n[n-]c(=S)n3c2)c(F)c1 ZINC001304002538 1324631126 /nfs/dbraw/zinc/63/11/26/1324631126.db2.gz SIKZIRXWVFVZLW-UHFFFAOYSA-N -1 1 334.351 2.535 10 0 EFAEMM Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001304282660 1324648230 /nfs/dbraw/zinc/64/82/30/1324648230.db2.gz RENBMAZXALBYDJ-UHFFFAOYSA-N -1 1 347.751 2.742 10 0 EFAEMM CCc1noc([C@H]2CC[C@@H](NC(=O)c3cc(C)cc(C=O)c3[O-])C2)n1 ZINC001304449962 1324650778 /nfs/dbraw/zinc/65/07/78/1324650778.db2.gz IHIBSQWYPRZJBG-WCQYABFASA-N -1 1 343.383 2.525 10 0 EFAEMM C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])[C@@H]1CO ZINC001305899787 1324693088 /nfs/dbraw/zinc/69/30/88/1324693088.db2.gz IHDMACIJBGWXDW-MLGOLLRUSA-N -1 1 343.379 2.698 10 0 EFAEMM CCC[C@@]1([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CCOC1 ZINC001321844567 1329412451 /nfs/dbraw/zinc/41/24/51/1329412451.db2.gz ILRQBHKOQQKGSQ-GFCCVEGCSA-N -1 1 339.244 2.626 10 0 EFAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c(F)cc1Cl ZINC001322434297 1329458180 /nfs/dbraw/zinc/45/81/80/1329458180.db2.gz OGLVBIQJPQYGBU-SECBINFHSA-N -1 1 347.795 2.653 10 0 EFAEMM CCCC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001381259542 1348169484 /nfs/dbraw/zinc/16/94/84/1348169484.db2.gz FHZMYDUYZUTFOR-CQSZACIVSA-N -1 1 347.459 2.580 10 0 EFAEMM CC[C@H](C)CCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001381260291 1348170226 /nfs/dbraw/zinc/17/02/26/1348170226.db2.gz GNQVREWNCLPPJS-DZGCQCFKSA-N -1 1 347.459 2.580 10 0 EFAEMM O=C(Nc1ncn(Cc2cccnc2)n1)c1cc2ccccc2cc1[O-] ZINC001324762915 1329656735 /nfs/dbraw/zinc/65/67/35/1329656735.db2.gz CVCWKQCYCQWCDC-UHFFFAOYSA-N -1 1 345.362 2.833 10 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10 0 EFAEMM CCCC[C@H](C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1)C(C)C ZINC001393978236 1357344537 /nfs/dbraw/zinc/34/45/37/1357344537.db2.gz HKHOMPKSPFPNQX-HNNXBMFYSA-N -1 1 347.459 2.532 10 0 EFAEMM C[C@H](CCC(C)(C)C)C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001393976382 1357342188 /nfs/dbraw/zinc/34/21/88/1357342188.db2.gz AEGUOMYRDPGDKF-CYBMUJFWSA-N -1 1 347.459 2.532 10 0 EFAEMM CCCC[C@H](C)C(=O)N1CC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001379841495 1347366731 /nfs/dbraw/zinc/36/67/31/1347366731.db2.gz ACCXLNRXTXJTFX-IFXJQAMLSA-N -1 1 347.459 2.582 10 0 EFAEMM CC[C@H](C)CC(=O)NC[C@]1(C)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001380023805 1347466571 /nfs/dbraw/zinc/46/65/71/1347466571.db2.gz HTNPIVQOAMLEJY-LIRRHRJNSA-N -1 1 347.459 2.582 10 0 EFAEMM C[C@H](NC(=O)CCC1CCCCC1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001380435296 1347668578 /nfs/dbraw/zinc/66/85/78/1347668578.db2.gz KYGXBADLGLSHAO-KBPBESRZSA-N -1 1 347.459 2.771 10 0 EFAEMM CC[C@@H](C)CC(=O)N(C)CC[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001381031261 1348032731 /nfs/dbraw/zinc/03/27/31/1348032731.db2.gz ZKXIHZYWZSQWJI-HUUCEWRRSA-N -1 1 349.475 2.826 10 0 EFAEMM CCCC[C@H](CNC(=O)[C@H]1CCC1(C)C)NC(=O)c1ncccc1[O-] ZINC001381083764 1348065388 /nfs/dbraw/zinc/06/53/88/1348065388.db2.gz YZBMCPPSSTYLJI-ZIAGYGMSSA-N -1 1 347.459 2.628 10 0 EFAEMM CCCC[C@@H](CNC(=O)[C@H]1CCC1(C)C)NC(=O)c1ncccc1[O-] ZINC001381083762 1348065397 /nfs/dbraw/zinc/06/53/97/1348065397.db2.gz YZBMCPPSSTYLJI-UONOGXRCSA-N -1 1 347.459 2.628 10 0 EFAEMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)C(C)(C)C ZINC001381090975 1348070296 /nfs/dbraw/zinc/07/02/96/1348070296.db2.gz NGQKWKXSKDETTO-KBPBESRZSA-N -1 1 349.475 2.874 10 0 EFAEMM CC(C)[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)C[C@H](C)C(C)C ZINC001381621561 1348410912 /nfs/dbraw/zinc/41/09/12/1348410912.db2.gz CFGLNDXRVKKJLJ-LSDHHAIUSA-N -1 1 349.475 2.730 10 0 EFAEMM CCCC[C@H](C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-])C(C)C ZINC001382032533 1348674181 /nfs/dbraw/zinc/67/41/81/1348674181.db2.gz UXABDWULTNVFHI-CABCVRRESA-N -1 1 349.475 2.826 10 0 EFAEMM C[C@@H](NC(=O)CC1(C)CCCCC1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001382764741 1349137293 /nfs/dbraw/zinc/13/72/93/1349137293.db2.gz LAIXPRZOSPGYGO-KGLIPLIRSA-N -1 1 347.459 2.771 10 0 EFAEMM CCC(C)(C)CC(=O)NCCC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001383878259 1349822520 /nfs/dbraw/zinc/82/25/20/1349822520.db2.gz BZGZURYUABULMX-UHFFFAOYSA-N -1 1 347.459 2.630 10 0 EFAEMM CCC(C)(CC)C(=O)NCC1(CCNC(=O)c2ncccc2[O-])CC1 ZINC001384660394 1350292359 /nfs/dbraw/zinc/29/23/59/1350292359.db2.gz IJOPNGKTOMFOHI-UHFFFAOYSA-N -1 1 347.459 2.630 10 0 EFAEMM CCC[C@@H](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384997780 1350487867 /nfs/dbraw/zinc/48/78/67/1350487867.db2.gz MTJZPUPWRPDERE-QLFBSQMISA-N -1 1 347.459 2.628 10 0 EFAEMM CCC[C@@H](C)CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001386001600 1351213214 /nfs/dbraw/zinc/21/32/14/1351213214.db2.gz CGWKILPPIRDWOF-KFWWJZLASA-N -1 1 347.459 2.771 10 0 EFAEMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C[C@H](C)C(C)C)C1 ZINC001387971416 1352406491 /nfs/dbraw/zinc/40/64/91/1352406491.db2.gz LCNDTSGRMIICSN-GJZGRUSLSA-N -1 1 347.459 2.532 10 0 EFAEMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@@H](CC)C(C)(C)C ZINC001388060037 1352445000 /nfs/dbraw/zinc/44/50/00/1352445000.db2.gz YNDABTHGVLAYLS-ZIAGYGMSSA-N -1 1 349.475 2.874 10 0 EFAEMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@H](CC)C(C)(C)C ZINC001388060036 1352445097 /nfs/dbraw/zinc/44/50/97/1352445097.db2.gz YNDABTHGVLAYLS-UONOGXRCSA-N -1 1 349.475 2.874 10 0 EFAEMM CC[C@H](CC(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001388430314 1352696887 /nfs/dbraw/zinc/69/68/87/1352696887.db2.gz AMUOJRRVVSXMPF-ZIAGYGMSSA-N -1 1 349.475 2.732 10 0 EFAEMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@@H](C)C(C)(C)C ZINC001388887057 1353113243 /nfs/dbraw/zinc/11/32/43/1353113243.db2.gz DEVBJBPFADYZOA-KGLIPLIRSA-N -1 1 349.475 2.730 10 0 EFAEMM CC(C)C[C@@H](CNC(=O)C[C@@H](C)C(C)C)NC(=O)c1ncccc1[O-] ZINC001391390554 1355159908 /nfs/dbraw/zinc/15/99/08/1355159908.db2.gz GITVVNCLSKSIDW-CABCVRRESA-N -1 1 349.475 2.730 10 0 EFAEMM CC(C)C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)C(C)(C)C ZINC001391398340 1355168582 /nfs/dbraw/zinc/16/85/82/1355168582.db2.gz CLFDGSXAIXNFTA-KGLIPLIRSA-N -1 1 349.475 2.730 10 0 EFAEMM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-])[C@@H](C)C(C)(C)C ZINC001391810343 1355552706 /nfs/dbraw/zinc/55/27/06/1355552706.db2.gz VFXDIKPXXKBSAS-ZIAGYGMSSA-N -1 1 349.475 2.636 10 0 EFAEMM CCC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001395329045 1358533987 /nfs/dbraw/zinc/53/39/87/1358533987.db2.gz YQXDSOIXVNEGQG-DZGCQCFKSA-N -1 1 347.459 2.580 10 0 EFAEMM CCC[C@H](C)CC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001395329057 1358534390 /nfs/dbraw/zinc/53/43/90/1358534390.db2.gz YQXDSOIXVNEGQG-ZFWWWQNUSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001395339307 1358543515 /nfs/dbraw/zinc/54/35/15/1358543515.db2.gz UZDQOFHUAVOLBK-CQSZACIVSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)CC1CCCC1 ZINC001395466272 1358624592 /nfs/dbraw/zinc/62/45/92/1358624592.db2.gz BSVCUTDGIVCUAO-OAHLLOKOSA-N -1 1 347.459 2.628 10 0 EFAEMM CC(C)CCCC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001395910215 1358908939 /nfs/dbraw/zinc/90/89/39/1358908939.db2.gz LPCKVWPBJUXKKH-GJZGRUSLSA-N -1 1 347.459 2.723 10 0 EFAEMM CC(C)CCCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001395975452 1358978560 /nfs/dbraw/zinc/97/85/60/1358978560.db2.gz ZOZHNRILNVFIIR-HUUCEWRRSA-N -1 1 347.459 2.628 10 0 EFAEMM C[C@@H](C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C)C(C)(C)C ZINC001396123522 1359072553 /nfs/dbraw/zinc/07/25/53/1359072553.db2.gz GQAMHMDICKTPCP-JSGCOSHPSA-N -1 1 349.475 2.730 10 0 EFAEMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C(C)(C)C(C)(C)C ZINC001398223859 1360392651 /nfs/dbraw/zinc/39/26/51/1360392651.db2.gz DZYIIXYPUURLMO-UHFFFAOYSA-N -1 1 349.475 2.828 10 0 EFAEMM CCCN(CCNC(=O)[C@@H]1CCCC[C@H]1C)C(=O)c1ncccc1[O-] ZINC001398263971 1360427824 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2.502 10 0 EFAEMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)C=C1CCCCC1 ZINC001492940071 1366095480 /nfs/dbraw/zinc/09/54/80/1366095480.db2.gz YFFAYTILXHRUHJ-UHFFFAOYSA-N -1 1 345.443 2.646 10 0 EFAEMM O=C([N-]Cc1cnc(C(F)(F)F)nc1)C(F)(F)c1ccccc1 ZINC001437621602 1387842868 /nfs/dbraw/zinc/84/28/68/1387842868.db2.gz RMRUAMOGPDWHFP-UHFFFAOYSA-N -1 1 331.244 2.904 10 0 EFAEMM CN(C(=O)C=Cc1ccc(-c2ccc(F)cc2)s1)c1nn[n-]n1 ZINC001437665694 1387914774 /nfs/dbraw/zinc/91/47/74/1387914774.db2.gz LHPTVYXZQQCZGL-VQHVLOKHSA-N -1 1 329.360 2.744 10 0 EFAEMM CC[C@H](CC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001407131146 1368465908 /nfs/dbraw/zinc/46/59/08/1368465908.db2.gz UAGCYLXIWAAAKC-ZIAGYGMSSA-N -1 1 347.459 2.580 10 0 EFAEMM O=C(NCCc1c(F)cc([O-])cc1F)N1CC(Oc2ccccc2)C1 ZINC001414731630 1370646895 /nfs/dbraw/zinc/64/68/95/1370646895.db2.gz OTGDMZPJFKOISL-UHFFFAOYSA-N -1 1 348.349 2.686 10 0 EFAEMM CC[C@H](CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001414774869 1370683613 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CCOC(=O)c1nc(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)[n-]c1Cl ZINC001417583940 1373063351 /nfs/dbraw/zinc/06/33/51/1373063351.db2.gz YQKSNBRUGIMIPL-NXEZZACHSA-N -1 1 341.795 2.526 10 0 EFAEMM COc1cccc(N2CCN(C(=O)c3ccc(F)c([O-])c3)CC2)c1 ZINC001417596257 1373076643 /nfs/dbraw/zinc/07/66/43/1373076643.db2.gz RHFRJCMBPXBQSK-UHFFFAOYSA-N -1 1 330.359 2.502 10 0 EFAEMM COc1cc2c(cc1OC)CN(C(=O)c1ccc(F)c([O-])c1)CC2 ZINC001417603933 1373084006 /nfs/dbraw/zinc/08/40/06/1373084006.db2.gz RJNJRMHORBWVCZ-UHFFFAOYSA-N -1 1 331.343 2.747 10 0 EFAEMM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([O-])cn2)cc1 ZINC001417616580 1373095723 /nfs/dbraw/zinc/09/57/23/1373095723.db2.gz XEWQUSNIJOEMFO-UHFFFAOYSA-N -1 1 327.384 2.958 10 0 EFAEMM C[C@@H](NC(=O)c1cnncc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC001417618138 1373096504 /nfs/dbraw/zinc/09/65/04/1373096504.db2.gz RDFIZKAESHUAON-SECBINFHSA-N -1 1 341.289 2.614 10 0 EFAEMM CSc1ncc(C(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c(=O)[n-]1 ZINC001417663320 1373136140 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1 347.459 2.580 10 0 EFAEMM CCC(C)(C)CC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001509567973 1408038546 /nfs/dbraw/zinc/03/85/46/1408038546.db2.gz BGFUPRJTLHUMMK-AWEZNQCLSA-N -1 1 347.459 2.580 10 0 EFAEMM C[C@H](CCCNC(=O)C1CCC=CCC1)NC(=O)c1ncccc1[O-] ZINC001510001237 1408204508 /nfs/dbraw/zinc/20/45/08/1408204508.db2.gz IFXBTKWHFUZQGC-CQSZACIVSA-N -1 1 345.443 2.548 10 0 EFAEMM C[C@H](CCCNC(=O)c1ncccc1[O-])NC(=O)C[C@H]1C=CCCC1 ZINC001510047881 1412505111 /nfs/dbraw/zinc/50/51/11/1412505111.db2.gz KNVIXBBCGHOPKY-CABCVRRESA-N -1 1 345.443 2.548 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001512147309 1413293425 /nfs/dbraw/zinc/29/34/25/1413293425.db2.gz DDVQARYDPLSDQB-GJZGRUSLSA-N -1 1 345.443 2.643 10 0 EFAEMM CC(C)CC1(C(=O)N[C@@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001512241204 1413353906 /nfs/dbraw/zinc/35/39/06/1413353906.db2.gz QZAFFBDONTXISK-KBPBESRZSA-N -1 1 347.459 2.627 10 0 EFAEMM CCC(C)(C)C(=O)N[C@H](C)CCCCNC(=O)c1ncccc1[O-] 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O=C(NCc1cnc2n1CCCC2)c1c([O-])cnc2c(F)cccc21 ZINC001556547241 1415075507 /nfs/dbraw/zinc/07/55/07/1415075507.db2.gz ZSHVQKWWGWORBI-UHFFFAOYSA-N -1 1 340.358 2.542 10 0 EFAEMM Cc1cnc(C(=O)NCc2ccncc2OCc2ccccc2)c([O-])c1 ZINC001556554889 1415075891 /nfs/dbraw/zinc/07/58/91/1415075891.db2.gz RGRGVCDINTXCSQ-UHFFFAOYSA-N -1 1 349.390 3.000 10 0 EFAEMM O=C(CCN1CSCCSC1)Nc1ccc([O-])c(F)c1F ZINC001556592243 1415077364 /nfs/dbraw/zinc/07/73/64/1415077364.db2.gz DKDLXKQUFYKFKI-UHFFFAOYSA-N -1 1 334.413 2.696 10 0 EFAEMM CC(C)C(=O)Nc1cc(C(=O)Nc2ccc([O-])c(F)c2F)ccn1 ZINC001556592526 1415077422 /nfs/dbraw/zinc/07/74/22/1415077422.db2.gz QSVASXADBZPCTB-UHFFFAOYSA-N -1 1 335.310 2.912 10 0 EFAEMM C[Si](C)(C)c1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC001556595891 1415078770 /nfs/dbraw/zinc/07/87/70/1415078770.db2.gz SCGFQPDWHWWPHW-UHFFFAOYSA-N -1 1 341.487 2.535 10 0 EFAEMM CC(C)OCCO[N-]C(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C ZINC001556739007 1415085706 /nfs/dbraw/zinc/08/57/06/1415085706.db2.gz 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O=C(N[C@@H]1C=CCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001557400639 1415123597 /nfs/dbraw/zinc/12/35/97/1415123597.db2.gz SWEMTIOCVSRVSV-OAHLLOKOSA-N -1 1 342.420 2.936 10 0 EFAEMM O=C(Nc1c([O-])cccc1F)c1ccc(Cn2ccccc2=O)o1 ZINC001557408691 1415124332 /nfs/dbraw/zinc/12/43/32/1415124332.db2.gz YNASHECFYRQFPV-UHFFFAOYSA-N -1 1 328.299 2.587 10 0 EFAEMM Cn1cnc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)cc1=O ZINC001557585413 1415133035 /nfs/dbraw/zinc/13/30/35/1415133035.db2.gz FKOMDMKJIHMEHW-UHFFFAOYSA-N -1 1 329.743 2.545 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(Cl)cc2cccnc21 ZINC001558162447 1415163062 /nfs/dbraw/zinc/16/30/62/1415163062.db2.gz JMNLYRUEKQTZBJ-UHFFFAOYSA-N -1 1 344.806 2.700 10 0 EFAEMM O=C(C=Cc1cc(Cl)cc(Cl)c1)NC1(c2nn[n-]n2)CCC1 ZINC001558173901 1415163774 /nfs/dbraw/zinc/16/37/74/1415163774.db2.gz YTHQLBWNWLLXCT-NSCUHMNNSA-N -1 1 338.198 2.715 10 0 EFAEMM CSCCCCCCC(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001558532943 1415186342 /nfs/dbraw/zinc/18/63/42/1415186342.db2.gz 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C[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC001645872401 1416577854 /nfs/dbraw/zinc/57/78/54/1416577854.db2.gz DOFNYBLPUSGYDI-CQSZACIVSA-N -1 1 344.521 2.523 10 0 EFAEMM C[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC001645872400 1416577872 /nfs/dbraw/zinc/57/78/72/1416577872.db2.gz DOFNYBLPUSGYDI-AWEZNQCLSA-N -1 1 344.521 2.523 10 0 EFAEMM O=C(Nc1nc2c(s1)CCc1sccc1-2)c1cnncc1[O-] ZINC001645905708 1416583139 /nfs/dbraw/zinc/58/31/39/1416583139.db2.gz GCQPQXOSOTZKFJ-UHFFFAOYSA-N -1 1 330.394 2.718 10 0 EFAEMM Cn1ncc(CCC(=O)Nc2cc(Cl)c([O-])c3ccccc23)n1 ZINC001646031779 1416603694 /nfs/dbraw/zinc/60/36/94/1416603694.db2.gz IGXKIJYJSHUOIF-UHFFFAOYSA-N -1 1 330.775 2.899 10 0 EFAEMM O=S(=O)([N-][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc(C(F)F)o1 ZINC001646062768 1416607412 /nfs/dbraw/zinc/60/74/12/1416607412.db2.gz BZKQAJFJTGVVDU-PRJMDXOYSA-N -1 1 327.299 2.929 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@]2(c3ccccc3)CCCO2)c1 ZINC001646194228 1416629945 /nfs/dbraw/zinc/62/99/45/1416629945.db2.gz NLTMRSNRKQEUSW-FQEVSTJZSA-N -1 1 339.391 2.949 10 0 EFAEMM O=C([O-])c1cc(CNC2(c3ccc(Cl)cc3)CCOCC2)[nH]n1 ZINC001646228300 1416636378 /nfs/dbraw/zinc/63/63/78/1416636378.db2.gz PTSKRRAMWNTLND-UHFFFAOYSA-N -1 1 335.791 2.557 10 0 EFAEMM O=S(=O)([N-]c1cc(Br)cnc1Cl)c1cccnc1 ZINC000205650394 1416668121 /nfs/dbraw/zinc/66/81/21/1416668121.db2.gz BDXGWQHJXNHFAD-UHFFFAOYSA-N -1 1 348.609 2.693 10 0 EFAEMM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1F)c1cccc(F)c1F ZINC000104746830 1416785768 /nfs/dbraw/zinc/78/57/68/1416785768.db2.gz AHWGYAYXZILECB-GXFFZTMASA-N -1 1 327.327 2.938 10 0 EFAEMM CC[C@@H](C)CCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001687899252 1416891901 /nfs/dbraw/zinc/89/19/01/1416891901.db2.gz BXBRCPQQRGFBBD-HUUCEWRRSA-N -1 1 347.459 2.724 10 0 EFAEMM CCCCCC(=O)N1CCC[C@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC001687973816 1416910400 /nfs/dbraw/zinc/91/04/00/1416910400.db2.gz ZWFSKVZHFURWNC-OAHLLOKOSA-N -1 1 347.459 2.678 10 0 EFAEMM CC(C)N(CCCNC(=O)C1CCCCC1)C(=O)c1ncccc1[O-] ZINC001688511131 1416977292 /nfs/dbraw/zinc/97/72/92/1416977292.db2.gz ZZPNJUVGZQBLMO-UHFFFAOYSA-N -1 1 347.459 2.724 10 0 EFAEMM CC(C)N(CCCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CC=CCC1 ZINC001688518213 1416978120 /nfs/dbraw/zinc/97/81/20/1416978120.db2.gz GVQJDBVFXNENSE-OAHLLOKOSA-N -1 1 345.443 2.500 10 0 EFAEMM CC(C)C[C@@H]1CCCN(C(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC000901039462 1429175429 /nfs/dbraw/zinc/17/54/29/1429175429.db2.gz NIJPTQCFPBALGH-ZDUSSCGKSA-N -1 1 328.420 2.842 10 0 EFAEMM CC/C=C(\C)C(=O)N(C)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001718115174 1422088414 /nfs/dbraw/zinc/08/84/14/1422088414.db2.gz UWJAFJGQMCNQMC-AWNIVKPZSA-N -1 1 345.443 2.643 10 0 EFAEMM CCCCCCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001718360526 1422219522 /nfs/dbraw/zinc/21/95/22/1422219522.db2.gz HTIRIRCJZFZDMV-LSDHHAIUSA-N -1 1 347.459 2.915 10 0 EFAEMM CC(C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C)=C1CCC1 ZINC001718806449 1422475367 /nfs/dbraw/zinc/47/53/67/1422475367.db2.gz CVGBHXQBGWFQAC-OAHLLOKOSA-N -1 1 345.443 2.548 10 0 EFAEMM C[C@@H](CCCCNC(=O)[C@@H]1CC=CCC1)NC(=O)c1ncccc1[O-] ZINC001719015678 1422628148 /nfs/dbraw/zinc/62/81/48/1422628148.db2.gz XQCPNVLRXKWGIF-LSDHHAIUSA-N -1 1 345.443 2.548 10 0 EFAEMM C[C@H](CCCCNC(=O)[C@H]1CC=CCC1)NC(=O)c1ncccc1[O-] ZINC001719015675 1422628291 /nfs/dbraw/zinc/62/82/91/1422628291.db2.gz XQCPNVLRXKWGIF-CABCVRRESA-N -1 1 345.443 2.548 10 0 EFAEMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)CC1=CCCCC1 ZINC001720598782 1423064577 /nfs/dbraw/zinc/06/45/77/1423064577.db2.gz AUTIFKAAGHPRGL-UHFFFAOYSA-N -1 1 345.443 2.646 10 0 EFAEMM CCN(CCCNC(=O)C[C@@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC001720623193 1423087350 /nfs/dbraw/zinc/08/73/50/1423087350.db2.gz VRSRBSPBSAWNII-OAHLLOKOSA-N -1 1 345.443 2.502 10 0 EFAEMM O=S(=O)(CCC(F)(F)F)[N-]c1cnn(Cc2ccccc2)c1 ZINC000171142742 1423194087 /nfs/dbraw/zinc/19/40/87/1423194087.db2.gz RQVBPASBUHWXMA-UHFFFAOYSA-N -1 1 333.335 2.626 10 0 EFAEMM C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1F ZINC000120626684 1423227674 /nfs/dbraw/zinc/22/76/74/1423227674.db2.gz ZYPACRRRMRMCGS-NSHDSACASA-N -1 1 325.347 2.672 10 0 EFAEMM CC(C)(C)/C=C/C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001720892508 1423286234 /nfs/dbraw/zinc/28/62/34/1423286234.db2.gz VFYXUZVHJDZMLG-ZHACJKMWSA-N -1 1 345.443 2.547 10 0 EFAEMM CSc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000135573231 1423366100 /nfs/dbraw/zinc/36/61/00/1423366100.db2.gz CJZJVRWSAGCPLS-UHFFFAOYSA-N -1 1 325.397 2.765 10 0 EFAEMM Cc1cc2ccccc2n1CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000178190195 1423457295 /nfs/dbraw/zinc/45/72/95/1423457295.db2.gz VJJMGNIFHGTWKZ-UHFFFAOYSA-N -1 1 346.394 2.692 10 0 EFAEMM COc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000089432653 1423521730 /nfs/dbraw/zinc/52/17/30/1423521730.db2.gz OXEGVUKHQDVFRP-UHFFFAOYSA-N -1 1 343.774 2.710 10 0 EFAEMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C=C(CC)CC ZINC001721206574 1423540961 /nfs/dbraw/zinc/54/09/61/1423540961.db2.gz QOCVHPZEYXRBMD-UHFFFAOYSA-N -1 1 333.432 2.502 10 0 EFAEMM CCCCC[C@@H](C(=O)NC1CN(C(=O)c2ncccc2[O-])C1)C(C)C ZINC001721375896 1423680400 /nfs/dbraw/zinc/68/04/00/1423680400.db2.gz RWDFMILYNUYEGG-OAHLLOKOSA-N -1 1 347.459 2.580 10 0 EFAEMM C[C@@H](N[C@@H]1CCCOc2cc(Br)ccc21)c1nnn[n-]1 ZINC000044926364 1423686267 /nfs/dbraw/zinc/68/62/67/1423686267.db2.gz QXEGCEMKHILNMA-LDYMZIIASA-N -1 1 338.209 2.527 10 0 EFAEMM CCCCCCC(=O)N1CC[C@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC001721434960 1423722189 /nfs/dbraw/zinc/72/21/89/1423722189.db2.gz XZVWUGZURMWELC-HNNXBMFYSA-N -1 1 347.459 2.821 10 0 EFAEMM Cc1ccc2c(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)coc2c1 ZINC000068973885 1423743428 /nfs/dbraw/zinc/74/34/28/1423743428.db2.gz SXXUNCNODUMGRE-UHFFFAOYSA-N -1 1 347.378 2.780 10 0 EFAEMM CC/C(C)=C\C(=O)N1CCCC[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001721635924 1423886674 /nfs/dbraw/zinc/88/66/74/1423886674.db2.gz BHYYQPPCUUTQAA-SEWDUPMJSA-N -1 1 345.443 2.645 10 0 EFAEMM CCC(=O)N(Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000084654561 1423888656 /nfs/dbraw/zinc/88/86/56/1423888656.db2.gz IHUSVVNHVCAZIS-UHFFFAOYSA-N -1 1 325.347 2.949 10 0 EFAEMM CCCc1nc(C)c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)s1 ZINC000178716105 1423921124 /nfs/dbraw/zinc/92/11/24/1423921124.db2.gz ZNFRTUJUULNQEA-UHFFFAOYSA-N -1 1 342.428 2.760 10 0 EFAEMM COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000025109385 1423964048 /nfs/dbraw/zinc/96/40/48/1423964048.db2.gz OHWNJKOTZRFJHY-LBPRGKRZSA-N -1 1 337.383 2.709 10 0 EFAEMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000184569499 1423980441 /nfs/dbraw/zinc/98/04/41/1423980441.db2.gz PRUVCNMGOKYHGQ-HOCLYGCPSA-N -1 1 343.431 2.714 10 0 EFAEMM CC1=C(C)C[C@@](C)(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001721938131 1424078327 /nfs/dbraw/zinc/07/83/27/1424078327.db2.gz PDLXZLWZISYXIY-LIRRHRJNSA-N -1 1 345.443 2.548 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(F)c1Cl ZINC000095427327 1424100245 /nfs/dbraw/zinc/10/02/45/1424100245.db2.gz QEBDBGGRACGNME-UHFFFAOYSA-N -1 1 331.738 2.835 10 0 EFAEMM CCO[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000120650074 1424107118 /nfs/dbraw/zinc/10/71/18/1424107118.db2.gz KHMOUFZBYXQRFP-KRWDZBQOSA-N -1 1 337.383 2.507 10 0 EFAEMM O=C(C=Cc1ccc(Cl)cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110001933 1424142416 /nfs/dbraw/zinc/14/24/16/1424142416.db2.gz YHCDRYGBUNHWPS-BJMVGYQFSA-N -1 1 339.786 2.850 10 0 EFAEMM O=C(C[C@H]1CCCC1(F)F)Nc1cc(-c2nnn[n-]2)ccc1F ZINC000822347559 1429780822 /nfs/dbraw/zinc/78/08/22/1429780822.db2.gz BAQHACCZUHKVJJ-SECBINFHSA-N -1 1 325.294 2.770 10 0 EFAEMM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc(C)c1F ZINC000154726616 1424485650 /nfs/dbraw/zinc/48/56/50/1424485650.db2.gz BRZMQPCEHJFOPV-UHFFFAOYSA-N -1 1 325.347 2.799 10 0 EFAEMM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000135551067 1424540309 /nfs/dbraw/zinc/54/03/09/1424540309.db2.gz OOTCELRZSULVEV-CVEARBPZSA-N -1 1 337.358 2.672 10 0 EFAEMM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000136982100 1424585629 /nfs/dbraw/zinc/58/56/29/1424585629.db2.gz WQXUNVVJAOFIGY-SJORKVTESA-N -1 1 349.394 2.541 10 0 EFAEMM CC(C)c1ncc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)s1 ZINC000119609719 1424628840 /nfs/dbraw/zinc/62/88/40/1424628840.db2.gz AERYZRVVOFLLLP-UHFFFAOYSA-N -1 1 328.401 2.623 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CCCc2sccc21 ZINC000155510816 1424639284 /nfs/dbraw/zinc/63/92/84/1424639284.db2.gz PTKNHZVVOWHROV-CQSZACIVSA-N -1 1 339.424 2.911 10 0 EFAEMM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000068973791 1424768043 /nfs/dbraw/zinc/76/80/43/1424768043.db2.gz NGUTUKMMVGIAJM-UHFFFAOYSA-N -1 1 331.738 2.589 10 0 EFAEMM O=C(c1cccc(Nc2nn[n-]n2)c1)N1CCC[C@H](c2ccccc2)C1 ZINC000908371220 1425284812 /nfs/dbraw/zinc/28/48/12/1425284812.db2.gz CCGPLNOUPHYLLH-INIZCTEOSA-N -1 1 348.410 2.963 10 0 EFAEMM C[C@H](CN(C)C(=O)c1cccc(Nc2nn[n-]n2)c1)c1ccccc1 ZINC001136598465 1425440981 /nfs/dbraw/zinc/44/09/81/1425440981.db2.gz DZEFIWFVCIJOMG-CYBMUJFWSA-N -1 1 336.399 2.819 10 0 EFAEMM CCCC[C@@H](CNC(=O)/C=C/C(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001726065967 1426054341 /nfs/dbraw/zinc/05/43/41/1426054341.db2.gz ATDVRIDNYGHREK-VNDWYCCKSA-N -1 1 347.459 2.794 10 0 EFAEMM CCCC[C@H](CNC(=O)/C=C\C(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001726065965 1426054452 /nfs/dbraw/zinc/05/44/52/1426054452.db2.gz ATDVRIDNYGHREK-IWMPZKFUSA-N -1 1 347.459 2.794 10 0 EFAEMM Cc1ccc(CCCCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000362780337 1426065975 /nfs/dbraw/zinc/06/59/75/1426065975.db2.gz FRPAKUFRCCHIAZ-MRXNPFEDSA-N -1 1 327.432 2.627 10 0 EFAEMM O=C(N[C@@H](c1cccs1)C1CC1)c1cccc(Nc2nn[n-]n2)c1 ZINC000900071127 1426457715 /nfs/dbraw/zinc/45/77/15/1426457715.db2.gz HQMOBPJLKRCLAO-CQSZACIVSA-N -1 1 340.412 2.886 10 0 EFAEMM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)CCCc1nnn[n-]1 ZINC000899219605 1426604873 /nfs/dbraw/zinc/60/48/73/1426604873.db2.gz WVJDWRZIHRDXAJ-IBGZPJMESA-N -1 1 341.459 2.926 10 0 EFAEMM C[C@@H](c1nnn[n-]1)N(C)C(=O)c1cccc(OCc2ccccc2)c1 ZINC000707195419 1426850769 /nfs/dbraw/zinc/85/07/69/1426850769.db2.gz MZMZJKFZLQOCCE-ZDUSSCGKSA-N -1 1 337.383 2.612 10 0 EFAEMM CCC1(c2ccccc2)CN(C(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC000909919361 1426852220 /nfs/dbraw/zinc/85/22/20/1426852220.db2.gz XJKYZUYYVZJZSQ-UHFFFAOYSA-N -1 1 348.410 2.747 10 0 EFAEMM O=C(Cc1csc2ccccc12)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000347548039 1427084077 /nfs/dbraw/zinc/08/40/77/1427084077.db2.gz YRWDAUBTZGUALH-UHFFFAOYSA-N -1 1 349.419 2.940 10 0 EFAEMM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCCCO1 ZINC000891477928 1427564028 /nfs/dbraw/zinc/56/40/28/1427564028.db2.gz CXXIGQZLUHZGPB-CYBMUJFWSA-N -1 1 333.367 2.540 10 0 EFAEMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc(Nc2nn[n-]n2)c1 ZINC000900765923 1427968493 /nfs/dbraw/zinc/96/84/93/1427968493.db2.gz DJRVGPPTNIQLLK-QGZVFWFLSA-N -1 1 348.410 2.694 10 0 EFAEMM CC=CC[C@@H]1CCCN(C(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC000913352519 1428141843 /nfs/dbraw/zinc/14/18/43/1428141843.db2.gz MICPXPWTNPWZCS-YWVDXFKGSA-N -1 1 326.404 2.762 10 0 EFAEMM O=C(c1cc2cc(Cl)ccc2o1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000773155333 1441421611 /nfs/dbraw/zinc/42/16/11/1441421611.db2.gz UEIFAHVOSLDFFS-SNVBAGLBSA-N -1 1 349.803 2.530 10 0 EFAEMM C[C@@H]1CN(C(=O)c2cccc(Nc3nn[n-]n3)c2)[C@H]2CCCC[C@@H]12 ZINC000907298103 1441536591 /nfs/dbraw/zinc/53/65/91/1441536591.db2.gz BBQIBLFRUICEPW-UGFHNGPFSA-N -1 1 326.404 2.594 10 0 EFAEMM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000897989784 1441587722 /nfs/dbraw/zinc/58/77/22/1441587722.db2.gz QURUAEHTNJBICG-OCCSQVGLSA-N -1 1 328.420 2.549 10 0 EFAEMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC000900980945 1441598269 /nfs/dbraw/zinc/59/82/69/1441598269.db2.gz KVLSPQZRAVNXLB-GUYCJALGSA-N -1 1 348.410 2.962 10 0 EFAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C(F)=C1CCC1 ZINC000819496836 1441748949 /nfs/dbraw/zinc/74/89/49/1441748949.db2.gz MNWDGALDYUOIFM-GFCCVEGCSA-N -1 1 339.733 2.605 10 0 EFAEMM C[C@@H](CC(=O)NC1(c2nnn[n-]2)CC1)c1ccccc1C(F)(F)F ZINC000348277831 1441791265 /nfs/dbraw/zinc/79/12/65/1441791265.db2.gz ACZUSBXBFYHFOQ-VIFPVBQESA-N -1 1 339.321 2.518 10 0 EFAEMM CC(C)[C@@H](Sc1ccccc1)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000358419038 1441923378 /nfs/dbraw/zinc/92/33/78/1441923378.db2.gz YFTBIOVQGDWBOP-GXTWGEPZSA-N -1 1 333.461 2.579 10 0 EFAEMM O=C(c1ccc(OC2CCCC2)cc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000155562975 1442081726 /nfs/dbraw/zinc/08/17/26/1442081726.db2.gz DFALGIVRUUOWLW-CQSZACIVSA-N -1 1 341.415 2.541 10 0 EFAEMM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000866902171 1442372121 /nfs/dbraw/zinc/37/21/21/1442372121.db2.gz ZBWRJDDPITYFGJ-APWZRJJASA-N -1 1 341.459 2.811 10 0 EFAEMM O=C(CCCc1ccc(Cl)cc1)NC1(c2nnn[n-]2)CCCC1 ZINC000345483544 1443224181 /nfs/dbraw/zinc/22/41/81/1443224181.db2.gz NVYLKXLZZBGUGN-UHFFFAOYSA-N -1 1 333.823 2.762 10 0 EFAEMM CC(C)[C@@H]1CN(C(=O)c2cccc(Nc3nn[n-]n3)c2)[C@H]1C(C)C ZINC000909055996 1443508100 /nfs/dbraw/zinc/50/81/00/1443508100.db2.gz ICDJVIOTLXRVCH-GJZGRUSLSA-N -1 1 328.420 2.696 10 0 EFAEMM Cc1cc2c(CC(=O)N(C)C[C@@H](C)c3nnn[n-]3)csc2s1 ZINC000867380856 1443603029 /nfs/dbraw/zinc/60/30/29/1443603029.db2.gz KJMJUHJUNNCWLF-MRVPVSSYSA-N -1 1 335.458 2.589 10 0 EFAEMM CSc1ccccc1CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000347582316 1443605347 /nfs/dbraw/zinc/60/53/47/1443605347.db2.gz PFZGIROXYGZNCD-UHFFFAOYSA-N -1 1 339.424 2.694 10 0 EFAEMM CCC[C@@H](NC(=O)C=Cc1ccsc1C(F)(F)F)c1nnn[n-]1 ZINC000866421379 1443621526 /nfs/dbraw/zinc/62/15/26/1443621526.db2.gz ZZRIGSHGJFWDRB-XNPJLODASA-N -1 1 345.350 2.951 10 0 EFAEMM CCc1cc2c(CC(=O)N(C)C[C@H](C)c3nnn[n-]3)csc2s1 ZINC000867382320 1443744633 /nfs/dbraw/zinc/74/46/33/1443744633.db2.gz VYPQGZFBXBROCB-VIFPVBQESA-N -1 1 349.485 2.843 10 0 EFAEMM O=C(Nc1ccccc1-c1nnn[n-]1)c1cnc(CC2CC2)s1 ZINC000913358018 1443801879 /nfs/dbraw/zinc/80/18/79/1443801879.db2.gz UXBBZQOLXWDNDI-UHFFFAOYSA-N -1 1 326.385 2.528 10 0 EFAEMM CC(=Cc1ccc(Cl)cc1)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000776564863 1443921686 /nfs/dbraw/zinc/92/16/86/1443921686.db2.gz PZPUAERRZDNGTF-CHOZFAJLSA-N -1 1 349.847 2.573 10 0 EFAEMM CC(C)Cc1ccc(CCCC(=O)NC2(c3nnn[n-]3)CC2)cc1 ZINC000357080023 1443990877 /nfs/dbraw/zinc/99/08/77/1443990877.db2.gz RMZOBZHYSXXRMZ-UHFFFAOYSA-N -1 1 327.432 2.526 10 0 EFAEMM CSCC[C@H](NC(=O)CC[C@@H]1CCc2ccccc21)c1nnn[n-]1 ZINC000912858049 1446171737 /nfs/dbraw/zinc/17/17/37/1446171737.db2.gz CEXHJOXPPZMIEL-ZFWWWQNUSA-N -1 1 345.472 2.620 10 0 EFAEMM O=C(Cc1coc2cc(Cl)ccc12)N1CCC(c2nnn[n-]2)CC1 ZINC000913745806 1446498798 /nfs/dbraw/zinc/49/87/98/1446498798.db2.gz OWCBAGPVVBYOEA-UHFFFAOYSA-N -1 1 345.790 2.548 10 0 EFAEMM CN(CCC1CCCCC1)C(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC000900494677 1446546746 /nfs/dbraw/zinc/54/67/46/1446546746.db2.gz LGQQJQMYDHNJOW-UHFFFAOYSA-N -1 1 328.420 2.986 10 0 EFAEMM CC(C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)c2ccccc21 ZINC000897589893 1446577509 /nfs/dbraw/zinc/57/75/09/1446577509.db2.gz BSZGMDDITASGPF-AWEZNQCLSA-N -1 1 334.383 2.662 10 0 EFAEMM Brc1ccc2oc(NCCCCc3nn[n-]n3)nc2c1 ZINC000708253062 1446653294 /nfs/dbraw/zinc/65/32/94/1446653294.db2.gz QEGAGVIEHMTOKA-UHFFFAOYSA-N -1 1 337.181 2.538 10 0 EFAEMM O=C(CCC(=O)N1CCC[C@H]1c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000900397275 1446824098 /nfs/dbraw/zinc/82/40/98/1446824098.db2.gz YOBUZYMCMOVWKQ-INIZCTEOSA-N -1 1 349.394 2.680 10 0 EFAEMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC000900980943 1447247736 /nfs/dbraw/zinc/24/77/36/1447247736.db2.gz KVLSPQZRAVNXLB-CXAGYDPISA-N -1 1 348.410 2.962 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(C(F)F)cc1 ZINC000427085643 1449124741 /nfs/dbraw/zinc/12/47/41/1449124741.db2.gz GLNGOBVIUPDVSZ-UHFFFAOYSA-N -1 1 329.310 2.980 10 0 EFAEMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC000900891551 1449637583 /nfs/dbraw/zinc/63/75/83/1449637583.db2.gz TZHFYTVIXGJWGR-KBPBESRZSA-N -1 1 346.460 2.690 10 0 EFAEMM COc1cccc(C(C)=CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000751380414 1449657527 /nfs/dbraw/zinc/65/75/27/1449657527.db2.gz MWVAFOZPQCAUAY-LVWOJMJRSA-N -1 1 349.394 2.517 10 0 EFAEMM Cc1ccc(N(Cc2cccs2)C(=O)CCc2nnn[n-]2)cc1 ZINC000865681759 1449783325 /nfs/dbraw/zinc/78/33/25/1449783325.db2.gz XKKBOQOHDANPFX-UHFFFAOYSA-N -1 1 327.413 2.736 10 0 EFAEMM C[C@@H](c1ccco1)N(C(=O)c1cccc(Nc2nn[n-]n2)c1)C1CC1 ZINC000900338674 1449880945 /nfs/dbraw/zinc/88/09/45/1449880945.db2.gz ZYSWFYGQDRGRQV-NSHDSACASA-N -1 1 338.371 2.902 10 0 EFAEMM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686215855 1450074892 /nfs/dbraw/zinc/07/48/92/1450074892.db2.gz SBKPTFBELLFPGM-LLVKDONJSA-N -1 1 344.419 2.534 10 0 EFAEMM C[C@H]1Cc2ccccc2N(C(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC001136677918 1450184636 /nfs/dbraw/zinc/18/46/36/1450184636.db2.gz IWWQLIGCBBJQJB-LBPRGKRZSA-N -1 1 334.383 2.782 10 0 EFAEMM CN(C(=O)c1cccc(Nc2nn[n-]n2)c1)C1CCC(C)(C)CC1 ZINC000901009564 1450350468 /nfs/dbraw/zinc/35/04/68/1450350468.db2.gz QGIPNCBQHQKAPA-UHFFFAOYSA-N -1 1 328.420 2.984 10 0 EFAEMM CCC(CC)(NC(=O)Cc1cc2cc(Cl)ccc2[nH]1)c1nnn[n-]1 ZINC001140064288 1450509953 /nfs/dbraw/zinc/50/99/53/1450509953.db2.gz LXAAMAMAFVMGLO-UHFFFAOYSA-N -1 1 346.822 2.709 10 0 EFAEMM CC(C)(C)C[C@H](O)CC(=O)Nc1nc(Br)ccc1[O-] ZINC000813533089 713883194 /nfs/dbraw/zinc/88/31/94/713883194.db2.gz LACFEWPUEGBNFK-MRVPVSSYSA-N -1 1 331.210 2.675 10 0 EFAEMM CSc1nc(C)c(CCC(=O)OC/C=C\Br)c(=O)[n-]1 ZINC000813927209 713984945 /nfs/dbraw/zinc/98/49/45/713984945.db2.gz NZKHVJCOCUISKY-UTCJRWHESA-N -1 1 347.234 2.597 10 0 EFAEMM CCC(CC)(CC)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866869601 715236592 /nfs/dbraw/zinc/23/65/92/715236592.db2.gz LDBNOUJHEHXFTH-UHFFFAOYSA-N -1 1 327.372 2.686 10 0 EFAEMM O=C([O-])C[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccc(Cl)cc1 ZINC000909362185 715663987 /nfs/dbraw/zinc/66/39/87/715663987.db2.gz SOFWRBDKMBRVDR-FZMZJTMJSA-N -1 1 347.802 2.500 10 0 EFAEMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000017327465 717674060 /nfs/dbraw/zinc/67/40/60/717674060.db2.gz UMCXXEKRXHMWAE-CHWSQXEVSA-N -1 1 346.456 2.552 10 0 EFAEMM C[C@H](C(=O)OC(C)(C)C)N(C)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000177642375 718143365 /nfs/dbraw/zinc/14/33/65/718143365.db2.gz CTTQFRRVSKQESL-LLVKDONJSA-N -1 1 349.460 2.622 10 0 EFAEMM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1n[n-]c(=S)n1C ZINC000066626037 718271964 /nfs/dbraw/zinc/27/19/64/718271964.db2.gz QHQKFBKMBPCSDY-ZDUSSCGKSA-N -1 1 336.486 2.911 10 0 EFAEMM O=C(CCC1CCCCC1)N[N-]C(=O)c1cc(-c2ccco2)[nH]n1 ZINC000066782909 719235819 /nfs/dbraw/zinc/23/58/19/719235819.db2.gz NLRCBXRNYBRNFU-UHFFFAOYSA-N -1 1 330.388 2.791 10 0 EFAEMM CCC1(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CCC1 ZINC000866938805 724575222 /nfs/dbraw/zinc/57/52/22/724575222.db2.gz UIYMPDQYEGYKEB-FQEVSTJZSA-N -1 1 330.475 2.558 10 0 EFAEMM COc1ccc(F)c([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000314295003 719359085 /nfs/dbraw/zinc/35/90/85/719359085.db2.gz FPTKBNKLNHWACB-UHFFFAOYSA-N -1 1 334.731 2.823 10 0 EFAEMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866883246 719639752 /nfs/dbraw/zinc/63/97/52/719639752.db2.gz NGMIWUQYGFMHNP-RKDXNWHRSA-N -1 1 327.372 2.542 10 0 EFAEMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c1 ZINC000181157509 728750591 /nfs/dbraw/zinc/75/05/91/728750591.db2.gz ZCEWNORDTZYKHD-UHFFFAOYSA-N -1 1 348.424 2.648 10 0 EFAEMM CO[C@]12CCC[C@@]1(NC(=O)NCc1ccc([O-])c(Cl)c1)CCO2 ZINC000923982725 724703184 /nfs/dbraw/zinc/70/31/84/724703184.db2.gz SMJKCZGAELTTCZ-CVEARBPZSA-N -1 1 340.807 2.531 10 0 EFAEMM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000297895898 720839238 /nfs/dbraw/zinc/83/92/38/720839238.db2.gz RZOSAHVMUVPONU-UHFFFAOYSA-N -1 1 341.311 2.557 10 0 EFAEMM COC(=O)C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1C ZINC000928175497 722018238 /nfs/dbraw/zinc/01/82/38/722018238.db2.gz AAXNIRHAGFBTEA-NXEZZACHSA-N -1 1 345.317 2.682 10 0 EFAEMM C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)c3ccc(Cl)cc3[O-])O2)CO1 ZINC000894643052 722806579 /nfs/dbraw/zinc/80/65/79/722806579.db2.gz CTNBWASPAXNJKZ-XAGWURHQSA-N -1 1 325.792 2.502 10 0 EFAEMM COC[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 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COc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)CO)cc(Cl)c1[O-] ZINC000617853345 480389715 /nfs/dbraw/zinc/38/97/15/480389715.db2.gz MZVFFIPRCVHLHX-ZWNOBZJWSA-N -1 1 327.808 2.677 10 0 EFAEMM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1ccc(C(F)F)o1 ZINC000632122859 480404550 /nfs/dbraw/zinc/40/45/50/480404550.db2.gz HITNQPIWBPPDKA-QWRGUYRKSA-N -1 1 337.388 2.827 10 0 EFAEMM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)sn1 ZINC000632177061 480432738 /nfs/dbraw/zinc/43/27/38/480432738.db2.gz KELZFPKBYYVFCV-UKRRQHHQSA-N -1 1 338.454 2.508 10 0 EFAEMM CN(CCOCC(=O)[O-])Cc1ccccc1OCc1ccccc1 ZINC000634696164 480438510 /nfs/dbraw/zinc/43/85/10/480438510.db2.gz MDFQFTFVRGMYIZ-UHFFFAOYSA-N -1 1 329.396 2.799 10 0 EFAEMM O=S(=O)(CCC1CCOCC1)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000621322990 480451741 /nfs/dbraw/zinc/45/17/41/480451741.db2.gz PEVWFQPDUVWBMN-CQSZACIVSA-N -1 1 339.448 2.937 10 0 EFAEMM COCC1(C2CCC2)CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000617981048 480462010 /nfs/dbraw/zinc/46/20/10/480462010.db2.gz CYPQZXAAKMDQKG-UHFFFAOYSA-N -1 1 339.819 2.943 10 0 EFAEMM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nc(-c2ccccc2)no1 ZINC000629957626 480472432 /nfs/dbraw/zinc/47/24/32/480472432.db2.gz SNLMHZRVYHPVRJ-UHFFFAOYSA-N -1 1 326.356 2.906 10 0 EFAEMM COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CCO)cc(Cl)c1[O-] ZINC000618003553 480473333 /nfs/dbraw/zinc/47/33/33/480473333.db2.gz RXTQFHVTKXFOLO-GWCFXTLKSA-N -1 1 327.808 2.677 10 0 EFAEMM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2nc(-c3ccccc3)no2)s1 ZINC000629956978 480473288 /nfs/dbraw/zinc/47/32/88/480473288.db2.gz MZBLAKLURBGCTD-JTQLQIEISA-N -1 1 344.396 2.883 10 0 EFAEMM CCOc1cc(C(=O)N2C[C@]3(C)COC[C@]3(C)C2)cc(Cl)c1[O-] ZINC000618022959 480482825 /nfs/dbraw/zinc/48/28/25/480482825.db2.gz JFEGWRTWQIXKQU-CALCHBBNSA-N -1 1 339.819 2.943 10 0 EFAEMM Cc1nocc1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000632299765 480503139 /nfs/dbraw/zinc/50/31/39/480503139.db2.gz WQHVWCGYLLQCSF-UHFFFAOYSA-N -1 1 344.795 2.942 10 0 EFAEMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000618078401 480509899 /nfs/dbraw/zinc/50/98/99/480509899.db2.gz XCDQTIHFOGGRFZ-LLVKDONJSA-N -1 1 338.289 2.573 10 0 EFAEMM CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@@H]1O ZINC000632310768 480510408 /nfs/dbraw/zinc/51/04/08/480510408.db2.gz NNPBMGGLIKWEPS-WFASDCNBSA-N -1 1 325.836 2.844 10 0 EFAEMM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)sn1 ZINC000632345296 480528246 /nfs/dbraw/zinc/52/82/46/480528246.db2.gz HNXGTDYCGGTKSZ-KGLIPLIRSA-N -1 1 338.454 2.650 10 0 EFAEMM Cc1c(C(=O)[N-]c2cnoc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000623943230 480532335 /nfs/dbraw/zinc/53/23/35/480532335.db2.gz LNKMBBMADHEZRR-UHFFFAOYSA-N -1 1 344.396 2.733 10 0 EFAEMM O=C(NCCO[C@H]1CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000618133451 480536902 /nfs/dbraw/zinc/53/69/02/480536902.db2.gz UULYCPOSIHDCCK-JTQLQIEISA-N -1 1 325.233 2.565 10 0 EFAEMM CSc1nc(CNC(=O)c2csc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC000640654599 480542136 /nfs/dbraw/zinc/54/21/36/480542136.db2.gz WAWYOQHPMRDBOO-UHFFFAOYSA-N -1 1 349.359 2.914 10 0 EFAEMM O=C(CCc1nn[n-]n1)Nc1ccccc1NCC1CCCCC1 ZINC000632380240 480545638 /nfs/dbraw/zinc/54/56/38/480545638.db2.gz VIMDTJGUDNMEEI-UHFFFAOYSA-N -1 1 328.420 2.763 10 0 EFAEMM O=C(Nc1cnoc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000624010973 480563652 /nfs/dbraw/zinc/56/36/52/480563652.db2.gz FIZAAVQNZVGUCO-UHFFFAOYSA-N -1 1 343.364 2.728 10 0 EFAEMM CCOc1cc(C(=O)N2C[C@H](C)C(O)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000618259635 480591652 /nfs/dbraw/zinc/59/16/52/480591652.db2.gz IGUUQUGRTSJRLP-UWVGGRQHSA-N -1 1 327.808 2.533 10 0 EFAEMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@](O)(C2CC2)C1 ZINC000618286650 480607587 /nfs/dbraw/zinc/60/75/87/480607587.db2.gz RYCYZHHPUSMPCT-OAHLLOKOSA-N -1 1 340.217 2.532 10 0 EFAEMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@](O)(C2CC2)C1 ZINC000618296645 480612275 /nfs/dbraw/zinc/61/22/75/480612275.db2.gz UQSJNVMVBUTPPG-OAHLLOKOSA-N -1 1 329.318 2.788 10 0 EFAEMM O=C([O-])[C@H](CNC(=O)c1cc(F)cc2nc[nH]c21)C1CCCCC1 ZINC000630265406 480639439 /nfs/dbraw/zinc/63/94/39/480639439.db2.gz 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/nfs/dbraw/zinc/71/00/43/480710043.db2.gz UOUYDSFEEREULI-UHFFFAOYSA-N -1 1 327.310 2.611 10 0 EFAEMM Cc1nc(-c2ccc(N[C@H]3CO[C@@H](C4CC4)C3)nc2)[n-]c(=O)c1C ZINC000624672973 480865651 /nfs/dbraw/zinc/86/56/51/480865651.db2.gz CEVUWJWGYABWJK-HUUCEWRRSA-N -1 1 326.400 2.840 10 0 EFAEMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc3cccc(C)c3s2)n1 ZINC000645508608 480872973 /nfs/dbraw/zinc/87/29/73/480872973.db2.gz VBPYKGYYKJYKOV-VIFPVBQESA-N -1 1 337.426 2.941 10 0 EFAEMM O=S(=O)(CCC[C@H]1CCOC1)[N-][C@@H](c1ccccc1)C(F)F ZINC000645729791 480921719 /nfs/dbraw/zinc/92/17/19/480921719.db2.gz PFOKKOGQGUKIDN-JSGCOSHPSA-N -1 1 333.400 2.729 10 0 EFAEMM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000645840654 480941634 /nfs/dbraw/zinc/94/16/34/480941634.db2.gz CWZDCPYDPLUWMD-DTORHVGOSA-N -1 1 337.363 2.728 10 0 EFAEMM O=S(=O)([N-][C@@H]1CCC[C@H]2C[C@H]21)c1sccc1Br ZINC000645850922 480943806 /nfs/dbraw/zinc/94/38/06/480943806.db2.gz WHEXJHBEICHGGU-QXFUBDJGSA-N -1 1 336.276 2.978 10 0 EFAEMM COc1cc(OC)cc(-c2noc([N-][C@@H](C)c3csnn3)n2)c1 ZINC000664016474 480972427 /nfs/dbraw/zinc/97/24/27/480972427.db2.gz OSMWUVBTSFDGIA-QMMMGPOBSA-N -1 1 333.373 2.778 10 0 EFAEMM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ncc2ccccc2c1[O-] ZINC000669206691 480995321 /nfs/dbraw/zinc/99/53/21/480995321.db2.gz AIIYERWJFBRKGB-LLVKDONJSA-N -1 1 338.411 2.652 10 0 EFAEMM Cc1ccc2c([n-]cc(C(=O)N3CCC[C@H](OC(C)C)C3)c2=O)[nH+]1 ZINC000653038094 481040089 /nfs/dbraw/zinc/04/00/89/481040089.db2.gz XNBISQHQZSELBQ-ZDUSSCGKSA-N -1 1 329.400 2.673 10 0 EFAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](OC(C)C)C1)c2=O ZINC000653038094 481040107 /nfs/dbraw/zinc/04/01/07/481040107.db2.gz XNBISQHQZSELBQ-ZDUSSCGKSA-N -1 1 329.400 2.673 10 0 EFAEMM C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CCc2ccccc21 ZINC000650373787 481054453 /nfs/dbraw/zinc/05/44/53/481054453.db2.gz ICZSHSCMYPUQLK-CYBMUJFWSA-N -1 1 333.391 2.725 10 0 EFAEMM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cnccc2C)cc1)C(=O)[O-] ZINC000650411959 481082069 /nfs/dbraw/zinc/08/20/69/481082069.db2.gz UAXNMLBMICIFAA-AWEZNQCLSA-N -1 1 348.424 2.844 10 0 EFAEMM CC(C)(C)CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000642078773 481147688 /nfs/dbraw/zinc/14/76/88/481147688.db2.gz KGOOURWYZLONNN-UHFFFAOYSA-N -1 1 338.835 2.766 10 0 EFAEMM CC(C)(CO)CN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000642208189 481173021 /nfs/dbraw/zinc/17/30/21/481173021.db2.gz GKVOAXVPBXIRMP-UHFFFAOYSA-N -1 1 333.173 2.777 10 0 EFAEMM Cc1nc(-c2ccc(N3CCC[C@](O)(C4CC4)C3)nc2)[n-]c(=O)c1C ZINC000664352161 481195568 /nfs/dbraw/zinc/19/55/68/481195568.db2.gz VKGIZTLCMMBKFJ-LJQANCHMSA-N -1 1 340.427 2.602 10 0 EFAEMM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000667014469 481256490 /nfs/dbraw/zinc/25/64/90/481256490.db2.gz WEMLYSQPQFIDLO-ONGXEEELSA-N -1 1 340.305 2.964 10 0 EFAEMM CN(C[C@H]1CCc2ccccc21)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000664457678 481264335 /nfs/dbraw/zinc/26/43/35/481264335.db2.gz BPCSSGHAVZADAX-CQSZACIVSA-N -1 1 333.391 2.725 10 0 EFAEMM Cc1nc(-c2ccc(N[C@@H]3C[C@H](O)C34CCC4)nc2)[n-]c(=O)c1C ZINC000664467428 481269543 /nfs/dbraw/zinc/26/95/43/481269543.db2.gz RMBVGKWFZFGTCH-KGLIPLIRSA-N -1 1 326.400 2.576 10 0 EFAEMM O=C(c1cc(Br)ccc1[O-])N1CC(C2CCOCC2)C1 ZINC000669731822 481286840 /nfs/dbraw/zinc/28/68/40/481286840.db2.gz ZSERHHDZOZGHDX-UHFFFAOYSA-N -1 1 340.217 2.653 10 0 EFAEMM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])C2(CCC2)CO1 ZINC000650734843 481302137 /nfs/dbraw/zinc/30/21/37/481302137.db2.gz AESPSCDCAHGLPS-JTQLQIEISA-N -1 1 340.217 2.938 10 0 EFAEMM Cc1nc(-c2ccc(NCC3CCC(O)CC3)nc2)[n-]c(=O)c1C ZINC000664527453 481310674 /nfs/dbraw/zinc/31/06/74/481310674.db2.gz BUMGIBFDDGVVQY-UHFFFAOYSA-N -1 1 328.416 2.824 10 0 EFAEMM COc1cc(C(=O)N2C[C@@H](CO)Cc3ccccc32)cc(Cl)c1[O-] ZINC000646523001 481355884 /nfs/dbraw/zinc/35/58/84/481355884.db2.gz XBQWWNYHOSVTNS-NSHDSACASA-N -1 1 347.798 2.866 10 0 EFAEMM CCN(C)C(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)C ZINC000653760534 481444417 /nfs/dbraw/zinc/44/44/17/481444417.db2.gz 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SQFHIHRWEWINKK-UHFFFAOYSA-N -1 1 329.795 2.895 10 0 EFAEMM CCn1ncc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)n1 ZINC001265395989 1316798187 /nfs/dbraw/zinc/79/81/87/1316798187.db2.gz PAAJXOKOJOJFSF-UHFFFAOYSA-N -1 1 346.441 2.791 10 0 EFAEMM CC(C)=C(C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001279877760 1317407818 /nfs/dbraw/zinc/40/78/18/1317407818.db2.gz XGPJMSBAGCWNKR-OAHLLOKOSA-N -1 1 345.443 2.597 10 0 EFAEMM C[C@@H](C(=O)NCCC[C@H](C)NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001280811778 1317802080 /nfs/dbraw/zinc/80/20/80/1317802080.db2.gz HHUAOZNOOOPLEL-UONOGXRCSA-N -1 1 347.459 2.628 10 0 EFAEMM C[C@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)c1cccs1 ZINC001281546710 1318432694 /nfs/dbraw/zinc/43/26/94/1318432694.db2.gz AMPBLHFOJKNZAJ-GFCCVEGCSA-N -1 1 347.440 2.567 10 0 EFAEMM CC(C)C(=O)NCCCN(CC1CCCC1)C(=O)c1ncccc1[O-] ZINC001281579983 1318483883 /nfs/dbraw/zinc/48/38/83/1318483883.db2.gz QXOMJROOXPZZDO-UHFFFAOYSA-N -1 1 347.459 2.582 10 0 EFAEMM O=C(NCCCCCCNC(=O)[C@@H]1CC=CCC1)c1ncccc1[O-] ZINC001283324425 1319555358 /nfs/dbraw/zinc/55/53/58/1319555358.db2.gz VSJMQAKZXSESBB-OAHLLOKOSA-N -1 1 345.443 2.550 10 0 EFAEMM O=C(NCCCCCCNC(=O)[C@H]1CC=CCC1)c1ncccc1[O-] ZINC001283324424 1319555629 /nfs/dbraw/zinc/55/56/29/1319555629.db2.gz VSJMQAKZXSESBB-HNNXBMFYSA-N -1 1 345.443 2.550 10 0 EFAEMM CC[C@@H]1CCC[C@@]1(C)C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001283525804 1319788638 /nfs/dbraw/zinc/78/86/38/1319788638.db2.gz LJJKQBYTRZIPNL-AUUYWEPGSA-N -1 1 347.459 2.582 10 0 EFAEMM CC[C@@H]1CCC[C@]1(C)C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001283525806 1319788862 /nfs/dbraw/zinc/78/88/62/1319788862.db2.gz LJJKQBYTRZIPNL-KUHUBIRLSA-N -1 1 347.459 2.582 10 0 EFAEMM CC1=CC[C@@](C)(C(=O)N(C)CCCNC(=O)c2ncccc2[O-])CC1 ZINC001283528238 1319791261 /nfs/dbraw/zinc/79/12/61/1319791261.db2.gz DWVVFKVZOFWEAL-LJQANCHMSA-N -1 1 345.443 2.502 10 0 EFAEMM CC(C)=CCC[C@H](C)CC(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001285637228 1321017041 /nfs/dbraw/zinc/01/70/41/1321017041.db2.gz FUOJIQFFCAROBV-LSDHHAIUSA-N -1 1 347.459 2.794 10 0 EFAEMM CC/C(C)=C/C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](CC)C1 ZINC001285822864 1321093727 /nfs/dbraw/zinc/09/37/27/1321093727.db2.gz HPDRNWXYMSZTNY-CYAURGIBSA-N -1 1 345.443 2.500 10 0 EFAEMM CC(C)CCCCC(=O)N[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001286100979 1321236754 /nfs/dbraw/zinc/23/67/54/1321236754.db2.gz BVGXRXWJBCFXGH-IBGZPJMESA-N -1 1 347.459 2.724 10 0 EFAEMM C[C@H](CCCNC(=O)c1ncccc1[O-])NC(=O)C1CCC=CCC1 ZINC001286939922 1321414433 /nfs/dbraw/zinc/41/44/33/1321414433.db2.gz VGVIDMAHWKSIRZ-CQSZACIVSA-N -1 1 345.443 2.548 10 0 EFAEMM CC1=CC[C@@](C)(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])CC1 ZINC001287599556 1321498786 /nfs/dbraw/zinc/49/87/86/1321498786.db2.gz ZQDCGTZHMZJOMW-AUUYWEPGSA-N -1 1 345.443 2.500 10 0 EFAEMM CCCCCC(=O)N1CC[C@H](C)[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001288488664 1321689674 /nfs/dbraw/zinc/68/96/74/1321689674.db2.gz UIPXCMAISYGLOC-GJZGRUSLSA-N -1 1 347.459 2.582 10 0 EFAEMM O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cnncc1[O-] ZINC001292338954 1322055368 /nfs/dbraw/zinc/05/53/68/1322055368.db2.gz XSNIRDDRHQAYEM-UHFFFAOYSA-N -1 1 345.362 2.833 10 0 EFAEMM CCCCCC(=O)NC1CC2(C1)CC(NC(=O)c1ncccc1[O-])C2 ZINC001292421738 1322072460 /nfs/dbraw/zinc/07/24/60/1322072460.db2.gz FBRZBMDYTOKMNW-UHFFFAOYSA-N -1 1 345.443 2.525 10 0 EFAEMM CC(=CC(=O)Nc1ccc(OCc2nn[n-]n2)cc1)c1cccs1 ZINC001293574085 1322289057 /nfs/dbraw/zinc/28/90/57/1322289057.db2.gz GBUUCUKRHSJYGR-LUAWRHEFSA-N -1 1 341.396 2.882 10 0 EFAEMM O=C(Nc1ccn(-c2ccncc2)n1)c1c([O-])cnc2c(F)cccc21 ZINC001293590668 1322293151 /nfs/dbraw/zinc/29/31/51/1322293151.db2.gz VPHGAAVWJAGSJG-UHFFFAOYSA-N -1 1 349.325 2.913 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2c(C)nn(CC)c2C)c1 ZINC001294091040 1322407187 /nfs/dbraw/zinc/40/71/87/1322407187.db2.gz LRINCMYCAXUCLK-UHFFFAOYSA-N -1 1 328.372 2.602 10 0 EFAEMM CN(CCCNC(=O)[C@H]1CCCCC1(C)C)C(=O)c1ncccc1[O-] ZINC001294150415 1322419093 /nfs/dbraw/zinc/41/90/93/1322419093.db2.gz VWOYGSRTKIVKRW-CQSZACIVSA-N -1 1 347.459 2.582 10 0 EFAEMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001294433843 1322482767 /nfs/dbraw/zinc/48/27/67/1322482767.db2.gz SSDQETSFJISJTL-CABCVRRESA-N -1 1 347.459 2.582 10 0 EFAEMM CC(C)(C)/C=C\C(=O)NCCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001294577509 1322519971 /nfs/dbraw/zinc/51/99/71/1322519971.db2.gz CKDIVFGNWDEDSC-KTKRTIGZSA-N -1 1 345.443 2.500 10 0 EFAEMM O=C(NC[C@H](O)c1ccccc1)c1c([O-])cnc2c(F)cccc21 ZINC001294759231 1322556280 /nfs/dbraw/zinc/55/62/80/1322556280.db2.gz YQFGNZMSFMRPTE-AWEZNQCLSA-N -1 1 326.327 2.543 10 0 EFAEMM O=C(N[C@H]1COc2c1cccc2Cl)c1ccc2n[n-]c(=S)n2c1 ZINC001294777256 1322560576 /nfs/dbraw/zinc/56/05/76/1322560576.db2.gz XRWBJWMBGMJQKP-NSHDSACASA-N -1 1 346.799 2.535 10 0 EFAEMM Cn1ccnc1-c1csc([N-]C(=O)c2ocnc2C(F)(F)F)n1 ZINC001295020225 1322619533 /nfs/dbraw/zinc/61/95/33/1322619533.db2.gz PYTRECHZTHOHFL-UHFFFAOYSA-N -1 1 343.290 2.803 10 0 EFAEMM CCOCCO[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001295442457 1322701721 /nfs/dbraw/zinc/70/17/21/1322701721.db2.gz CSDJOXDCUOONNE-LBPRGKRZSA-N -1 1 347.333 2.679 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001295784244 1322777897 /nfs/dbraw/zinc/77/78/97/1322777897.db2.gz VKNWUKHJMNXRDF-KRWDZBQOSA-N -1 1 339.391 2.597 10 0 EFAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC001296677099 1322975403 /nfs/dbraw/zinc/97/54/03/1322975403.db2.gz IPRVNHPOMMVCKE-ZETCQYMHSA-N -1 1 346.437 2.880 10 0 EFAEMM CCCN(C(=O)/C=C(/C)CC)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001296776751 1323015464 /nfs/dbraw/zinc/01/54/64/1323015464.db2.gz YDADNVPUWFCDJS-ZSMUJPCHSA-N -1 1 345.443 2.597 10 0 EFAEMM COc1ccc2c(c1)OCCN(C(=O)c1cc(C)cc(C=O)c1[O-])C2 ZINC001296961991 1323066492 /nfs/dbraw/zinc/06/64/92/1323066492.db2.gz GYBPNWZSAWKDJF-UHFFFAOYSA-N -1 1 341.363 2.557 10 0 EFAEMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc2n[n-]c(=S)n2c1 ZINC001297044104 1323075625 /nfs/dbraw/zinc/07/56/25/1323075625.db2.gz RKHYWQDUJFZBQS-MQMHXKEQSA-N -1 1 342.399 2.833 10 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/nfs/dbraw/zinc/39/59/23/1323395923.db2.gz YOFNZMTXOIAXLV-OAHLLOKOSA-N -1 1 345.443 2.548 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N(C)C[C@H]2OCCc3ccccc32)c1 ZINC001298163149 1323453423 /nfs/dbraw/zinc/45/34/23/1323453423.db2.gz HDNDYXZBBSLVOV-GOSISDBHSA-N -1 1 339.391 2.899 10 0 EFAEMM CCCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](CC)C1 ZINC001298957500 1323644243 /nfs/dbraw/zinc/64/42/43/1323644243.db2.gz PBUFGSHGPRGOSQ-HUUCEWRRSA-N -1 1 347.459 2.724 10 0 EFAEMM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1s[n-]c(=O)c1Cl ZINC001298980112 1323655196 /nfs/dbraw/zinc/65/51/96/1323655196.db2.gz BLXMJBLNMSTGPE-UHFFFAOYSA-N -1 1 343.195 2.962 10 0 EFAEMM O=C(Cc1ccc(Br)cc1F)[N-]OCc1ccccn1 ZINC001299115480 1323696975 /nfs/dbraw/zinc/69/69/75/1323696975.db2.gz IVFLRLYHYDSIKT-UHFFFAOYSA-N -1 1 339.164 2.774 10 0 EFAEMM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1ncc2ccccc2c1[O-] ZINC001299803356 1323707795 /nfs/dbraw/zinc/70/77/95/1323707795.db2.gz CNWMDDQYBKUGEK-OAQYLSRUSA-N -1 1 348.402 2.846 10 0 EFAEMM CC[C@@H](CC1CCCC1)C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001491678545 1323826537 /nfs/dbraw/zinc/82/65/37/1323826537.db2.gz IWQINXKJUVBDDZ-HNNXBMFYSA-N -1 1 347.459 2.630 10 0 EFAEMM O=C(CNC(=O)c1cnncc1[O-])c1sc2ccccc2c1Cl ZINC001302985111 1324590685 /nfs/dbraw/zinc/59/06/85/1324590685.db2.gz FVDYYSSFAHNGBZ-UHFFFAOYSA-N -1 1 347.783 2.663 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC001303199338 1324596973 /nfs/dbraw/zinc/59/69/73/1324596973.db2.gz CPWZAYJJFBZTSF-UHFFFAOYSA-N -1 1 332.795 2.633 10 0 EFAEMM O=C(Cc1ccc(-c2ccccc2)cc1)NC1(c2nn[n-]n2)CCC1 ZINC001303221899 1324597951 /nfs/dbraw/zinc/59/79/51/1324597951.db2.gz NCTPFZDVSXKTJN-UHFFFAOYSA-N -1 1 333.395 2.605 10 0 EFAEMM C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC2(c3nn[n-]n3)CCC2)C1 ZINC001303221453 1324598539 /nfs/dbraw/zinc/59/85/39/1324598539.db2.gz IHSKASDRKRHJSY-HUUCEWRRSA-N -1 1 349.479 2.851 10 0 EFAEMM CC[C@@](O)(CCC(F)(F)F)CNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001304201763 1324645538 /nfs/dbraw/zinc/64/55/38/1324645538.db2.gz 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2.660 10 0 EFAEMM CC[C@H](Sc1ccccc1)C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001362833609 1336756823 /nfs/dbraw/zinc/75/68/23/1336756823.db2.gz WJCWZAHDFURGRO-AWEZNQCLSA-N -1 1 333.461 2.755 10 0 EFAEMM CC(C)Cc1ccc([C@H](C)C(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC001362833207 1336756889 /nfs/dbraw/zinc/75/68/89/1336756889.db2.gz FKRMUDRZNDZMKZ-ZDUSSCGKSA-N -1 1 327.432 2.697 10 0 EFAEMM C[C@H](NC(=O)c1cnncc1[O-])c1ccc(Br)cc1F ZINC001362962614 1336762849 /nfs/dbraw/zinc/76/28/49/1336762849.db2.gz LKPCKWVVLAZMMR-ZETCQYMHSA-N -1 1 340.152 2.575 10 0 EFAEMM Cc1[n-][nH]c(=O)c1NC(=O)c1c(F)ccc(Br)c1C ZINC001363141803 1336802584 /nfs/dbraw/zinc/80/25/84/1336802584.db2.gz VBPCOHJDCALGRH-UHFFFAOYSA-N -1 1 328.141 2.886 10 0 EFAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCCC12CC2 ZINC001363149684 1336805767 /nfs/dbraw/zinc/80/57/67/1336805767.db2.gz DDDOJPCJYYZCNM-SRVKXCTJSA-N -1 1 332.366 2.625 10 0 EFAEMM COC(=O)c1coc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001363162709 1336811361 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/nfs/dbraw/zinc/93/93/88/1336939388.db2.gz ABMPVEFMIHNACC-KRWDZBQOSA-N -1 1 341.411 2.596 10 0 EFAEMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](c2cnccn2)C1 ZINC001363621483 1336957586 /nfs/dbraw/zinc/95/75/86/1336957586.db2.gz RMBAWQHIIPSEAW-SNVBAGLBSA-N -1 1 337.301 2.831 10 0 EFAEMM CSc1nc(CNC(=O)C/C=C\c2ccc(C)cc2)cc(=O)[n-]1 ZINC001363634058 1336964561 /nfs/dbraw/zinc/96/45/61/1336964561.db2.gz QMEJFOGQOCMZSO-ARJAWSKDSA-N -1 1 329.425 2.932 10 0 EFAEMM COc1cnc(C(C)(C)NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)[n-]c1=O ZINC001363634774 1336965083 /nfs/dbraw/zinc/96/50/83/1336965083.db2.gz VVDGDCMCVYCTMF-ORAYPTAESA-N -1 1 341.411 2.520 10 0 EFAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCC[C@H](F)C1 ZINC001363640977 1336968535 /nfs/dbraw/zinc/96/85/35/1336968535.db2.gz IKLFPWNKGLVTMV-BJDJZHNGSA-N -1 1 338.345 2.573 10 0 EFAEMM Cc1cnc(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)c([O-])c1 ZINC001363651702 1336974174 /nfs/dbraw/zinc/97/41/74/1336974174.db2.gz YKDNVYXCWRJGTN-LBPRGKRZSA-N -1 1 340.301 2.578 10 0 EFAEMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)C[C@H](C)N1CC(F)(F)F ZINC001363663991 1336981979 /nfs/dbraw/zinc/98/19/79/1336981979.db2.gz METSDKJMMSKFDG-AOOOYVTPSA-N -1 1 334.313 2.628 10 0 EFAEMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])Cc2cncnc21 ZINC001363716486 1337008053 /nfs/dbraw/zinc/00/80/53/1337008053.db2.gz DSEJIPULEMBRDZ-SECBINFHSA-N -1 1 337.301 2.961 10 0 EFAEMM Cn1ccnc1[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC001363729204 1337014980 /nfs/dbraw/zinc/01/49/80/1337014980.db2.gz YOVRPXMEUDSPAA-JTQLQIEISA-N -1 1 333.697 2.813 10 0 EFAEMM Cn1nc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1C(F)(F)F ZINC001363733551 1337017398 /nfs/dbraw/zinc/01/73/98/1337017398.db2.gz UVYMMGLOXKVEPG-UHFFFAOYSA-N -1 1 333.697 2.979 10 0 EFAEMM O=C(NCC[C@@H](NC1CC1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC001363736244 1337017912 /nfs/dbraw/zinc/01/79/12/1337017912.db2.gz IOTBANUHRVLIPY-GFCCVEGCSA-N -1 1 336.741 2.848 10 0 EFAEMM COC(=O)c1c[n-]c(SCCc2ccc3c(c2)OC(F)(F)O3)n1 ZINC001363750371 1337024001 /nfs/dbraw/zinc/02/40/01/1337024001.db2.gz ASEQXAMWOHXGAK-UHFFFAOYSA-N -1 1 342.323 2.853 10 0 EFAEMM O=C(CCc1c(Cl)cccc1Cl)NC1(c2nn[n-]n2)CCC1 ZINC001363816395 1337066983 /nfs/dbraw/zinc/06/69/83/1337066983.db2.gz DXLCOKJAXFGQRK-UHFFFAOYSA-N -1 1 340.214 2.635 10 0 EFAEMM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccc([O-])cn2)CO1 ZINC001363938693 1337121318 /nfs/dbraw/zinc/12/13/18/1337121318.db2.gz PTQAKDLPRTVJJP-OAHLLOKOSA-N -1 1 326.396 2.997 10 0 EFAEMM CSc1ccc([O-])c(C(=O)N2NC(=O)C[C@@]23CCCC[C@@H]3C)c1 ZINC001363980131 1337134941 /nfs/dbraw/zinc/13/49/41/1337134941.db2.gz SBJIYFBWPWIERI-APPDUMDISA-N -1 1 334.441 2.940 10 0 EFAEMM CSc1ccc([O-])c(C(=O)N2NC(=O)C[C@@]23CCCC[C@H]3C)c1 ZINC001363980156 1337134998 /nfs/dbraw/zinc/13/49/98/1337134998.db2.gz SBJIYFBWPWIERI-PIGZYNQJSA-N -1 1 334.441 2.940 10 0 EFAEMM COC(=O)c1ccc(F)c2c1CN(C(=O)c1cc(F)ccc1[O-])CC2 ZINC001363989051 1337138700 /nfs/dbraw/zinc/13/87/00/1337138700.db2.gz CAAVVABOCDAUKR-UHFFFAOYSA-N -1 1 347.317 2.656 10 0 EFAEMM CCC[C@@H](CC(C)C)C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001370541679 1340125089 /nfs/dbraw/zinc/12/50/89/1340125089.db2.gz VCWBZMWODVZSHB-CABCVRRESA-N -1 1 349.475 2.826 10 0 EFAEMM CCC[C@@H](C)CC(=O)NC[C@@H](C)N(CC)C(=O)c1ncccc1[O-] ZINC001371336142 1340506477 /nfs/dbraw/zinc/50/64/77/1340506477.db2.gz PRARZKVHXSADMI-ZIAGYGMSSA-N -1 1 335.448 2.580 10 0 EFAEMM CC[C@@H](NC(=O)NCCc1c(F)cc([O-])cc1F)[C@@H]1CCCCO1 ZINC001371446581 1340598235 /nfs/dbraw/zinc/59/82/35/1340598235.db2.gz WCTDUHKIJVWVLX-CVEARBPZSA-N -1 1 342.386 2.860 10 0 EFAEMM CCC[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001374050346 1341337035 /nfs/dbraw/zinc/33/70/35/1341337035.db2.gz NFNIPSYUOSHBES-IFXJQAMLSA-N -1 1 347.459 2.724 10 0 EFAEMM CC(C)c1cccc(CN(C)CCN(C)C(=O)c2ncccc2[O-])n1 ZINC001374487878 1341964964 /nfs/dbraw/zinc/96/49/64/1341964964.db2.gz CQILYUYQEAYKAB-UHFFFAOYSA-N -1 1 342.443 2.510 10 0 EFAEMM CCCC[C@H](C)C(=O)N1CC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001379841497 1347366799 /nfs/dbraw/zinc/36/67/99/1347366799.db2.gz ACCXLNRXTXJTFX-LIRRHRJNSA-N -1 1 347.459 2.582 10 0 EFAEMM C[C@@H](NC(=O)CCC1CCCCC1)[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001380435299 1347668603 /nfs/dbraw/zinc/66/86/03/1347668603.db2.gz KYGXBADLGLSHAO-ZIAGYGMSSA-N -1 1 347.459 2.771 10 0 EFAEMM CC[C@H](C)CC(=O)N(C)CC[C@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001381031257 1348032903 /nfs/dbraw/zinc/03/29/03/1348032903.db2.gz ZKXIHZYWZSQWJI-GJZGRUSLSA-N -1 1 349.475 2.826 10 0 EFAEMM CC(C)C[C@@H](C)C(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001381578234 1348374263 /nfs/dbraw/zinc/37/42/63/1348374263.db2.gz NDNRJEXXJOVQLD-CQSZACIVSA-N -1 1 347.459 2.532 10 0 EFAEMM CCCC[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-])C(C)C ZINC001382032554 1348674077 /nfs/dbraw/zinc/67/40/77/1348674077.db2.gz UXABDWULTNVFHI-HUUCEWRRSA-N -1 1 349.475 2.826 10 0 EFAEMM CC(C)CCCC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001384355195 1350044565 /nfs/dbraw/zinc/04/45/65/1350044565.db2.gz GAEVTMSIZKYWKM-HNNXBMFYSA-N -1 1 349.475 2.874 10 0 EFAEMM CCC(CC)[C@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001384390889 1350073656 /nfs/dbraw/zinc/07/36/56/1350073656.db2.gz LUQMMLANKALQLA-DZGCQCFKSA-N -1 1 347.459 2.532 10 0 EFAEMM CCC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001384474506 1350133764 /nfs/dbraw/zinc/13/37/64/1350133764.db2.gz CKOZIFUBLCFTEU-UONOGXRCSA-N -1 1 347.459 2.723 10 0 EFAEMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001384894848 1350421707 /nfs/dbraw/zinc/42/17/07/1350421707.db2.gz JMECRACTZSXPGR-LSDHHAIUSA-N -1 1 347.459 2.532 10 0 EFAEMM CC[C@H](C)CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CCCC1 ZINC001394177144 1357553522 /nfs/dbraw/zinc/55/35/22/1357553522.db2.gz BOYPQZHYJWONQK-DZGCQCFKSA-N -1 1 347.459 2.628 10 0 EFAEMM CCC[C@H](C)CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001386001601 1351213229 /nfs/dbraw/zinc/21/32/29/1351213229.db2.gz CGWKILPPIRDWOF-SOUVJXGZSA-N -1 1 347.459 2.771 10 0 EFAEMM CCC[C@H]1CCC[C@H]1C(=O)NCCN(CC)C(=O)c1ncccc1[O-] ZINC001388323384 1352623721 /nfs/dbraw/zinc/62/37/21/1352623721.db2.gz BPHBHBLHABDTAM-LSDHHAIUSA-N -1 1 347.459 2.582 10 0 EFAEMM CC[C@@H]1CCC[C@]1(C)C(=O)NCCN(CC)C(=O)c1ncccc1[O-] ZINC001388325698 1352625737 /nfs/dbraw/zinc/62/57/37/1352625737.db2.gz LHGBPQVNQGLFHM-KUHUBIRLSA-N -1 1 347.459 2.582 10 0 EFAEMM CCC[C@H](CC(C)C)C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001389675502 1353546097 /nfs/dbraw/zinc/54/60/97/1353546097.db2.gz ZLZWQIMELPIWIL-CABCVRRESA-N -1 1 347.459 2.580 10 0 EFAEMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001390053482 1353769611 /nfs/dbraw/zinc/76/96/11/1353769611.db2.gz QCIGMYIYCAWLOQ-UHFFFAOYSA-N -1 1 347.459 2.532 10 0 EFAEMM CC(C)C[C@H](CNC(=O)C[C@@H](C)C(C)C)NC(=O)c1ncccc1[O-] ZINC001391390558 1355159844 /nfs/dbraw/zinc/15/98/44/1355159844.db2.gz GITVVNCLSKSIDW-HUUCEWRRSA-N -1 1 349.475 2.730 10 0 EFAEMM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-])[C@H](C)C(C)(C)C ZINC001391810337 1355552868 /nfs/dbraw/zinc/55/28/68/1355552868.db2.gz 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ZINC001462295538 1396431505 /nfs/dbraw/zinc/43/15/05/1396431505.db2.gz SARUHBZVTNOSQT-UHFFFAOYSA-N -1 1 339.252 2.550 10 0 EFAEMM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cc(OC)cnc1F ZINC001462891654 1396458436 /nfs/dbraw/zinc/45/84/36/1396458436.db2.gz LUKYFGUFGAEOMM-UHFFFAOYSA-N -1 1 340.257 2.546 10 0 EFAEMM CCOC(=O)c1nc(NC(=O)c2cc3ncccc3o2)[n-]c1Cl ZINC001462918858 1396461236 /nfs/dbraw/zinc/46/12/36/1396461236.db2.gz KWOLSZGTUULNDQ-UHFFFAOYSA-N -1 1 334.719 2.633 10 0 EFAEMM COc1cccc([C@@H]2CCCN2C(=O)c2cnc(SC)[n-]c2=O)c1 ZINC001463864834 1396526802 /nfs/dbraw/zinc/52/68/02/1396526802.db2.gz RTMUIOIILSXLBX-AWEZNQCLSA-N -1 1 345.424 2.890 10 0 EFAEMM O=C(CCCCO)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001464156507 1396552055 /nfs/dbraw/zinc/55/20/55/1396552055.db2.gz COBRMNGPCIMUMY-UHFFFAOYSA-N -1 1 348.424 2.589 10 0 EFAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC001464385596 1396570675 /nfs/dbraw/zinc/57/06/75/1396570675.db2.gz AZJROTVCVWLIDW-UHFFFAOYSA-N -1 1 345.409 2.550 10 0 EFAEMM COc1ccc2cc(NC(=O)c3c(C)[nH]c(=O)[n-]c3=S)ccc2n1 ZINC001464743701 1396601290 /nfs/dbraw/zinc/60/12/90/1396601290.db2.gz CTKHBHQGRRWGMS-UHFFFAOYSA-N -1 1 342.380 2.588 10 0 EFAEMM CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cnncc2[O-])c1 ZINC001464816495 1396612187 /nfs/dbraw/zinc/61/21/87/1396612187.db2.gz FTMKIYIQWDQVTI-UHFFFAOYSA-N -1 1 348.334 2.921 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N(C)Cc2nc3ccccc3n2C)c1 ZINC001464848293 1396618577 /nfs/dbraw/zinc/61/85/77/1396618577.db2.gz IXCBBRMJXWRMLY-UHFFFAOYSA-N -1 1 337.379 2.672 10 0 EFAEMM O=C(CC1CCCC1)N1CCCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001464933322 1396631959 /nfs/dbraw/zinc/63/19/59/1396631959.db2.gz ZPFQRVIEWONVCS-UHFFFAOYSA-N -1 1 348.418 2.786 10 0 EFAEMM O=C(NCCCN1CCCCC1=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001464963706 1396635530 /nfs/dbraw/zinc/63/55/30/1396635530.db2.gz YKJWMLJLTSYWBK-UHFFFAOYSA-N -1 1 344.333 2.543 10 0 EFAEMM O=C(c1ccc([O-])cn1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001465356076 1396672806 /nfs/dbraw/zinc/67/28/06/1396672806.db2.gz XGJOYYCPWWDJFT-KRWDZBQOSA-N -1 1 330.359 2.512 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N(C)CCOCc2ccccc2)c1 ZINC001466046634 1396733583 /nfs/dbraw/zinc/73/35/83/1396733583.db2.gz MHFLMXKOFZSOSX-UHFFFAOYSA-N -1 1 327.380 2.802 10 0 EFAEMM CCCn1ccnc1CCCN(C)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001466851439 1396791014 /nfs/dbraw/zinc/79/10/14/1396791014.db2.gz GUFRISXHERIFRF-UHFFFAOYSA-N -1 1 343.427 2.824 10 0 EFAEMM O=C(Nc1nc(Br)ccc1[O-])c1c[nH]nc1-c1ccco1 ZINC001467242445 1396830471 /nfs/dbraw/zinc/83/04/71/1396830471.db2.gz MZFFVSXPHVAYTN-UHFFFAOYSA-N -1 1 349.144 2.785 10 0 EFAEMM O=C(N[C@H](CCO)c1ccco1)c1c([O-])cnc2c(F)cccc21 ZINC001467361575 1396846241 /nfs/dbraw/zinc/84/62/41/1396846241.db2.gz HMFCBKXROLBZNX-GFCCVEGCSA-N -1 1 330.315 2.526 10 0 EFAEMM O=C(c1ccc([O-])cn1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001467500070 1396862487 /nfs/dbraw/zinc/86/24/87/1396862487.db2.gz AIJGGWLNPJZZSR-UHFFFAOYSA-N -1 1 341.386 2.594 10 0 EFAEMM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cnncc1[O-] ZINC001467568606 1396872066 /nfs/dbraw/zinc/87/20/66/1396872066.db2.gz BQXHEYKONNUJBR-LBPRGKRZSA-N -1 1 325.290 2.914 10 0 EFAEMM CCC(CC)(NC(=O)c1cccc2cccc(O)c21)c1nn[n-]n1 ZINC001467794347 1396897044 /nfs/dbraw/zinc/89/70/44/1396897044.db2.gz RMZYLRIGUNDXOZ-UHFFFAOYSA-N -1 1 325.372 2.504 10 0 EFAEMM COCCCO[N-]C(=O)[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001467832350 1396902184 /nfs/dbraw/zinc/90/21/84/1396902184.db2.gz NGPXFCBIOQPRGC-KRWDZBQOSA-N -1 1 346.468 2.648 10 0 EFAEMM O=C(Nc1ccc([O-])c(F)c1F)c1cc[nH]c(=O)c1Br ZINC001468004037 1396918197 /nfs/dbraw/zinc/91/81/97/1396918197.db2.gz WRCNFTNRPLWMED-UHFFFAOYSA-N -1 1 345.099 2.786 10 0 EFAEMM COc1c(F)nccc1C(=O)Nc1cccc([O-])c1Br ZINC001468255792 1396938507 /nfs/dbraw/zinc/93/85/07/1396938507.db2.gz YKGMKQZGLJFING-UHFFFAOYSA-N -1 1 341.136 2.950 10 0 EFAEMM Cc1cnc(C(=O)NCc2cc(Br)ccc2F)c([O-])c1 ZINC001468565234 1396968190 /nfs/dbraw/zinc/96/81/90/1396968190.db2.gz APRCLKZKXAPGPW-UHFFFAOYSA-N -1 1 339.164 2.927 10 0 EFAEMM C[C@@H](NC(=O)c1cnncc1[O-])c1ccc(Br)cc1F ZINC001468717964 1396982499 /nfs/dbraw/zinc/98/24/99/1396982499.db2.gz LKPCKWVVLAZMMR-SSDOTTSWSA-N -1 1 340.152 2.575 10 0 EFAEMM Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1F ZINC001469760196 1397053555 /nfs/dbraw/zinc/05/35/55/1397053555.db2.gz MYEDRPQWMARSPO-OAHLLOKOSA-N -1 1 339.370 2.979 10 0 EFAEMM O=C(N[C@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc([O-])cc1F ZINC001470163971 1397077812 /nfs/dbraw/zinc/07/78/12/1397077812.db2.gz WUZUUPANPIBLQC-HNNXBMFYSA-N -1 1 329.306 2.913 10 0 EFAEMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)cc(S(C)(=O)=O)c1 ZINC001471420811 1397169767 /nfs/dbraw/zinc/16/97/67/1397169767.db2.gz DORKOIKEGQIEOI-UHFFFAOYSA-N -1 1 341.335 2.635 10 0 EFAEMM O=C(C=Cc1ccc(F)c2ccccc12)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001471460783 1397173444 /nfs/dbraw/zinc/17/34/44/1397173444.db2.gz SBSAXNFGOZEWKL-STMXVASLSA-N -1 1 337.358 2.521 10 0 EFAEMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1nc2c(cccc2F)[nH]1 ZINC001471500485 1397178745 /nfs/dbraw/zinc/17/87/45/1397178745.db2.gz RCGOPDCGNCCRPE-UHFFFAOYSA-N -1 1 333.750 2.920 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H](Cc1ccccc1)C(C)C ZINC001471645873 1397191912 /nfs/dbraw/zinc/19/19/12/1397191912.db2.gz IHWATWAYMNJMJN-MRXNPFEDSA-N -1 1 329.448 2.699 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H](C)CCc1ccccc1F ZINC001471645988 1397192121 /nfs/dbraw/zinc/19/21/21/1397192121.db2.gz NJKMEWXAZYPCKN-CYBMUJFWSA-N -1 1 333.411 2.592 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001471645728 1397192304 /nfs/dbraw/zinc/19/23/04/1397192304.db2.gz COMBFQMJHLHYMG-UHFFFAOYSA-N -1 1 335.839 2.816 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001471646089 1397192414 /nfs/dbraw/zinc/19/24/14/1397192414.db2.gz AVSSQIVIAAKRLQ-UHFFFAOYSA-N -1 1 346.822 2.562 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C1(Cc2cccc(F)c2)CCC1 ZINC001471646672 1397193314 /nfs/dbraw/zinc/19/33/14/1397193314.db2.gz PFWBUXMAJRFSMG-UHFFFAOYSA-N -1 1 345.422 2.736 10 0 EFAEMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC001471705927 1397200605 /nfs/dbraw/zinc/20/06/05/1397200605.db2.gz OTIBTUNURZPGOC-SECBINFHSA-N -1 1 338.285 2.866 10 0 EFAEMM C/C(=C\C1CCC(C)CC1)C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001471852779 1397216297 /nfs/dbraw/zinc/21/62/97/1397216297.db2.gz CVUIFCOYQUUEBU-SKAFSBIRSA-N -1 1 331.464 2.753 10 0 EFAEMM CC(C)O[C@@]1(CNC(=O)c2cc3ccccc3cc2[O-])CCOC1 ZINC001471998857 1397232779 /nfs/dbraw/zinc/23/27/79/1397232779.db2.gz SSLLHWPGCJASFH-LJQANCHMSA-N -1 1 329.396 2.859 10 0 EFAEMM Cc1ccsc1[C@H](CO)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001479211622 1397620338 /nfs/dbraw/zinc/62/03/38/1397620338.db2.gz MCSJQUNHPPYGRC-LBPRGKRZSA-N -1 1 340.832 2.948 10 0 EFAEMM O=C(Nc1cccnc1N1CCCCC1)C(=O)c1ccc([O-])cc1 ZINC001546225772 1397727656 /nfs/dbraw/zinc/72/76/56/1397727656.db2.gz UOPULPOBSNUFSX-UHFFFAOYSA-N -1 1 325.368 2.599 10 0 EFAEMM CCN(CCCNC(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)c1ncccc1[O-] ZINC001493011299 1398356927 /nfs/dbraw/zinc/35/69/27/1398356927.db2.gz RJXHMFFFOOLXBX-HUUCEWRRSA-N -1 1 347.459 2.582 10 0 EFAEMM CC[C@@](C)(NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(=O)OC ZINC001546253016 1400804767 /nfs/dbraw/zinc/80/47/67/1400804767.db2.gz LGWYZJODAWIDPO-GOSISDBHSA-N -1 1 345.351 2.536 10 0 EFAEMM CCCN(C(=O)c1nn[n-]n1)[C@@H](C)c1ccccc1Br ZINC000095040143 1424760349 /nfs/dbraw/zinc/76/03/49/1424760349.db2.gz QXKXSZZNZKVHFG-VIFPVBQESA-N -1 1 338.209 2.576 10 0 EFAEMM CCCCCC[C@H](C)C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001506275117 1405597163 /nfs/dbraw/zinc/59/71/63/1405597163.db2.gz FARTWHUCUVLCLA-AWEZNQCLSA-N -1 1 347.459 2.677 10 0 EFAEMM CC/C(C)=C/C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001506365838 1405712392 /nfs/dbraw/zinc/71/23/92/1405712392.db2.gz ZNUFVVXTSQKSAJ-HFBDAHEESA-N -1 1 345.443 2.548 10 0 EFAEMM CCCCCCC(=O)N1CC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001506630665 1406066222 /nfs/dbraw/zinc/06/62/22/1406066222.db2.gz JCANEGFUDWPHDP-LJQANCHMSA-N -1 1 347.459 2.726 10 0 EFAEMM CCC[C@H](C)C(=O)N(C)CC[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001509221624 1407831219 /nfs/dbraw/zinc/83/12/19/1407831219.db2.gz NVGWRUBPTLTEEN-LSDHHAIUSA-N -1 1 349.475 2.826 10 0 EFAEMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)/C=C/C(C)(C)C ZINC001509306341 1407893941 /nfs/dbraw/zinc/89/39/41/1407893941.db2.gz XVZIARXIUPRKBD-VNDWYCCKSA-N -1 1 347.459 2.794 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001509595639 1408055098 /nfs/dbraw/zinc/05/50/98/1408055098.db2.gz OFVVEUGZRJAQJK-OAHLLOKOSA-N -1 1 345.443 2.500 10 0 EFAEMM CC(C)[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C(C)C ZINC001510244454 1412591544 /nfs/dbraw/zinc/59/15/44/1412591544.db2.gz XFNXZSSWGMNCIG-CQSZACIVSA-N -1 1 349.475 2.730 10 0 EFAEMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)CCCCC(C)(C)C ZINC001510525689 1412728723 /nfs/dbraw/zinc/72/87/23/1412728723.db2.gz HJTUTFOSLLUVRL-CQSZACIVSA-N -1 1 349.475 2.970 10 0 EFAEMM CCCCCC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001510591017 1412757902 /nfs/dbraw/zinc/75/79/02/1412757902.db2.gz CPBQBTHLFSJRRG-CQSZACIVSA-N -1 1 349.475 2.970 10 0 EFAEMM CC(C)[C@@H](C)CC(=O)N(C)CCN(C(=O)c1ncccc1[O-])C(C)C ZINC001511699464 1413084698 /nfs/dbraw/zinc/08/46/98/1413084698.db2.gz DKETYCYVXZBYPU-HNNXBMFYSA-N -1 1 349.475 2.778 10 0 EFAEMM CC(C)N(CCN(C)C(=O)c1ncccc1[O-])C(=O)CCCC1CC1 ZINC001511726358 1413097426 /nfs/dbraw/zinc/09/74/26/1413097426.db2.gz XUEVYTRWEYXGQJ-UHFFFAOYSA-N -1 1 347.459 2.677 10 0 EFAEMM Cc1ncccc1/C=C\C(=O)Nc1nc(Br)ccc1[O-] ZINC001556251304 1415060175 /nfs/dbraw/zinc/06/01/75/1415060175.db2.gz ZNYHSEACOSWADE-DAXSKMNVSA-N -1 1 334.173 2.905 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(C)(C)O)c2)c1 ZINC001556252690 1415060827 /nfs/dbraw/zinc/06/08/27/1415060827.db2.gz ICGXUMPNFOUYAB-UHFFFAOYSA-N -1 1 340.379 2.996 10 0 EFAEMM Cc1ccc(F)c(CN(C)C(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC001556405269 1415068048 /nfs/dbraw/zinc/06/80/48/1415068048.db2.gz NGDSMDMAXKHZBR-UHFFFAOYSA-N -1 1 330.388 2.738 10 0 EFAEMM Cc1cc([C@@H](C)NC(=O)c2ccc3n[n-]c(=S)n3c2)ccc1F ZINC001556831667 1415091111 /nfs/dbraw/zinc/09/11/11/1415091111.db2.gz VRRPKNCWJZDSJO-SNVBAGLBSA-N -1 1 330.388 2.957 10 0 EFAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C[C@H]1C=CCCC1 ZINC001557251478 1415115020 /nfs/dbraw/zinc/11/50/20/1415115020.db2.gz FLPJSTDGUVKXFN-AVGNSLFASA-N -1 1 332.366 2.791 10 0 EFAEMM O=C(N[C@H](Cc1ccccc1)c1ncon1)c1cc(F)ccc1[O-] ZINC001557268839 1415116663 /nfs/dbraw/zinc/11/66/63/1415116663.db2.gz DAMLGLAMBXDRDH-CQSZACIVSA-N -1 1 327.315 2.628 10 0 EFAEMM CN1c2ccccc2C[C@H](NC(=O)c2cc3ccccc3cc2[O-])C1=O ZINC001557449279 1415126284 /nfs/dbraw/zinc/12/62/84/1415126284.db2.gz RWTIZTQUUKAJSX-KRWDZBQOSA-N -1 1 346.386 2.863 10 0 EFAEMM O=C(N[C@H](c1ncc[nH]1)c1ccc(F)cc1)c1c([O-])cccc1F ZINC001557514693 1415128920 /nfs/dbraw/zinc/12/89/20/1415128920.db2.gz ZVCJRNLDNGNSDO-HNNXBMFYSA-N -1 1 329.306 2.913 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC001557613031 1415133366 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O=C(NCCn1cc(-c2ccccc2)nn1)c1cc(Cl)ccc1[O-] ZINC001558834529 1415204861 /nfs/dbraw/zinc/20/48/61/1415204861.db2.gz BRRKOLHAOJIRDD-UHFFFAOYSA-N -1 1 342.786 2.734 10 0 EFAEMM O=C(Nc1ccc(F)cc1[O-])c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001558956055 1415214074 /nfs/dbraw/zinc/21/40/74/1415214074.db2.gz WBNISJNHBZMPMX-UHFFFAOYSA-N -1 1 349.383 2.967 10 0 EFAEMM CCOc1ccccc1-c1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000357067713 1428895118 /nfs/dbraw/zinc/89/51/18/1428895118.db2.gz FPQPKBNFZNXVTE-UHFFFAOYSA-N -1 1 349.394 2.685 10 0 EFAEMM Cc1cccn2cc(CNC(=O)c3ncc4ccccc4c3[O-])nc12 ZINC001565605234 1415407049 /nfs/dbraw/zinc/40/70/49/1415407049.db2.gz PMKURSUIWNFFDH-UHFFFAOYSA-N -1 1 332.363 2.827 10 0 EFAEMM Cc1ncccc1/C=C\C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC001566853725 1415799893 /nfs/dbraw/zinc/79/98/93/1415799893.db2.gz SGODAITUOQYQAT-YVMONPNESA-N -1 1 349.387 2.553 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@](C)(O)c2ccccc2Cl)c1 ZINC001567321557 1416071165 /nfs/dbraw/zinc/07/11/65/1416071165.db2.gz 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348.410 2.793 10 0 EFAEMM C[C@]1(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CCCc2ccccc21 ZINC000913438689 1429392279 /nfs/dbraw/zinc/39/22/79/1429392279.db2.gz VNIUCDAYCLAZIQ-PXNSSMCTSA-N -1 1 347.422 2.700 10 0 EFAEMM C[C@@H](C1CCCCC1)N(C)C(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC000907797981 1429458696 /nfs/dbraw/zinc/45/86/96/1429458696.db2.gz QSEIFDSWRRPKOE-LBPRGKRZSA-N -1 1 328.420 2.984 10 0 EFAEMM CCCCCC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001718154579 1422111792 /nfs/dbraw/zinc/11/17/92/1422111792.db2.gz VNJNZQBPPQDIIO-AWEZNQCLSA-N -1 1 349.475 2.970 10 0 EFAEMM CCC(=CC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1)CC ZINC001718307549 1422193863 /nfs/dbraw/zinc/19/38/63/1422193863.db2.gz RYUXIFRBGSUHEN-HNNXBMFYSA-N -1 1 345.443 2.500 10 0 EFAEMM CCCCCCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001718736179 1422452144 /nfs/dbraw/zinc/45/21/44/1422452144.db2.gz ALNXQJSLXAKEPD-CABCVRRESA-N -1 1 347.459 2.772 10 0 EFAEMM CCCCCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001718903450 1422544275 /nfs/dbraw/zinc/54/42/75/1422544275.db2.gz RSZKLHRGGFKABQ-CABCVRRESA-N -1 1 347.459 2.582 10 0 EFAEMM C[C@@H](CCCCNC(=O)c1cccs1)NC(=O)c1ncccc1[O-] ZINC001719013625 1422626332 /nfs/dbraw/zinc/62/63/32/1422626332.db2.gz CBDUYNMVQHWGRA-LBPRGKRZSA-N -1 1 347.440 2.567 10 0 EFAEMM C[C@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)C1(C)CCCC1 ZINC001719022837 1422635689 /nfs/dbraw/zinc/63/56/89/1422635689.db2.gz ZYXKPWJSKJQODY-CQSZACIVSA-N -1 1 347.459 2.772 10 0 EFAEMM CC1(C)CCCC[C@H]1CC(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001720261259 1422796644 /nfs/dbraw/zinc/79/66/44/1422796644.db2.gz ANMNVEALAQQUCY-AWEZNQCLSA-N -1 1 347.459 2.630 10 0 EFAEMM CC[C@H](C)[C@H](C)C(=O)NCCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001720666666 1423126949 /nfs/dbraw/zinc/12/69/49/1423126949.db2.gz YTVHXBHNGACECB-KBPBESRZSA-N -1 1 347.459 2.580 10 0 EFAEMM CSCc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000068961747 1423255626 /nfs/dbraw/zinc/25/56/26/1423255626.db2.gz XXARCAWWOTVKJP-UHFFFAOYSA-N -1 1 339.424 2.660 10 0 EFAEMM CC(C)(C)/C=C\C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001720892507 1423285406 /nfs/dbraw/zinc/28/54/06/1423285406.db2.gz VFYXUZVHJDZMLG-KHPPLWFESA-N -1 1 345.443 2.547 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000135550213 1423309022 /nfs/dbraw/zinc/30/90/22/1423309022.db2.gz NJKGOJKRDGBRIU-UHFFFAOYSA-N -1 1 345.309 2.644 10 0 EFAEMM CC[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000125011381 1423406106 /nfs/dbraw/zinc/40/61/06/1423406106.db2.gz GFEHKDZADJOFPX-INIZCTEOSA-N -1 1 339.374 2.816 10 0 EFAEMM Cc1cc(C)cc(CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000155512669 1423441198 /nfs/dbraw/zinc/44/11/98/1423441198.db2.gz CXDDSVARYVTKIE-UHFFFAOYSA-N -1 1 335.411 2.979 10 0 EFAEMM C[C@@H](CN(C)C(=O)c1ccc(OC2CCCCC2)cc1)c1nnn[n-]1 ZINC000124477259 1423443815 /nfs/dbraw/zinc/44/38/15/1423443815.db2.gz VWUFRJRSOYDEFH-ZDUSSCGKSA-N -1 1 343.431 2.787 10 0 EFAEMM O=C(CCc1ccc(F)cc1F)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000124663474 1423650980 /nfs/dbraw/zinc/65/09/80/1423650980.db2.gz ZPIKEYVHONTJCK-UHFFFAOYSA-N -1 1 343.337 2.640 10 0 EFAEMM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2cnccc21 ZINC000069599921 1423655800 /nfs/dbraw/zinc/65/58/00/1423655800.db2.gz YALZCWKSQMYWBD-UHFFFAOYSA-N -1 1 345.366 2.737 10 0 EFAEMM CCSc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccn1 ZINC000135563038 1423824013 /nfs/dbraw/zinc/82/40/13/1423824013.db2.gz RAIZVONZIFEVOV-UHFFFAOYSA-N -1 1 340.412 2.550 10 0 EFAEMM C[C@@H](N[C@H]1CCCOc2cc(Br)ccc21)c1nnn[n-]1 ZINC000044926368 1423964983 /nfs/dbraw/zinc/96/49/83/1423964983.db2.gz QXEGCEMKHILNMA-KCJUWKMLSA-N -1 1 338.209 2.527 10 0 EFAEMM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120644001 1423976795 /nfs/dbraw/zinc/97/67/95/1423976795.db2.gz RIDMBYLLTASTSZ-UHFFFAOYSA-N -1 1 332.367 2.833 10 0 EFAEMM CCc1ccc(CCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000135570733 1423987225 /nfs/dbraw/zinc/98/72/25/1423987225.db2.gz ISSYRZSAXRVYNU-UHFFFAOYSA-N -1 1 335.411 2.924 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2cc(F)ccc2[nH]1 ZINC000135571120 1424009263 /nfs/dbraw/zinc/00/92/63/1424009263.db2.gz YTZQAGDNRQYYKN-UHFFFAOYSA-N -1 1 336.330 2.663 10 0 EFAEMM CCCCCC[C@@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001722040327 1424139139 /nfs/dbraw/zinc/13/91/39/1424139139.db2.gz KVBRESDFZZLVDB-CABCVRRESA-N -1 1 347.459 2.724 10 0 EFAEMM CC(C)Cc1nc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cs1 ZINC000120708109 1424324536 /nfs/dbraw/zinc/32/45/36/1424324536.db2.gz YLNKIYPDPISQFG-UHFFFAOYSA-N -1 1 342.428 2.698 10 0 EFAEMM Cc1cc(C)c(CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(C)c1 ZINC000180376000 1424391179 /nfs/dbraw/zinc/39/11/79/1424391179.db2.gz BYZQJVWDZCXVHT-UHFFFAOYSA-N -1 1 335.411 2.897 10 0 EFAEMM O=C(Nc1nnn[n-]1)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182717787 1424432271 /nfs/dbraw/zinc/43/22/71/1424432271.db2.gz FWBMIQAKTVFARX-GXSJLCMTSA-N -1 1 342.186 2.613 10 0 EFAEMM Cc1cccc(OCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000120760903 1424495401 /nfs/dbraw/zinc/49/54/01/1424495401.db2.gz GLEIWHGPCPFPDR-UHFFFAOYSA-N -1 1 337.383 2.507 10 0 EFAEMM 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CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001363357640 1336890326 /nfs/dbraw/zinc/89/03/26/1336890326.db2.gz SSFOWANGRAWHJZ-JKSUJKDBSA-N -1 1 327.432 2.550 10 0 EFAEMM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001363440870 1336901482 /nfs/dbraw/zinc/90/14/82/1336901482.db2.gz ITSHYVSCZKNXRN-HZPDHXFCSA-N -1 1 329.396 2.920 10 0 EFAEMM O=C(NC[C@H]1CC(=O)c2ccccc2O1)c1cc(Cl)ccc1[O-] ZINC001363511118 1336910980 /nfs/dbraw/zinc/91/09/80/1336910980.db2.gz FBEDVYZOHJFQRA-LLVKDONJSA-N -1 1 331.755 2.809 10 0 EFAEMM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])Cc2cncnc21 ZINC001363527745 1336917854 /nfs/dbraw/zinc/91/78/54/1336917854.db2.gz URYUDISISCSHBM-VIFPVBQESA-N -1 1 348.200 2.704 10 0 EFAEMM COc1cc2c(cc1OC)C(C)(C)N(C(=O)c1ccc([O-])cn1)CC2 ZINC001363544045 1336924735 /nfs/dbraw/zinc/92/47/35/1336924735.db2.gz FWJGBIXVMFNYAR-UHFFFAOYSA-N -1 1 342.395 2.738 10 0 EFAEMM Cc1cc(O[C@@H](C)C(=O)NC2(c3nn[n-]n3)CCC2)ccc1C(C)C ZINC001363547078 1336925954 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CC(C)(C)OC(=O)C1(NC(=O)c2ccc([O-])cn2)CCCCCC1 ZINC001363811009 1337062355 /nfs/dbraw/zinc/06/23/55/1337062355.db2.gz LJBUDLAQLPDRQC-UHFFFAOYSA-N -1 1 334.416 2.952 10 0 EFAEMM C[C@@H]([NH2+]C1(CNC(=O)c2ncccc2[O-])CC1)c1ccccc1F ZINC001367995049 1339148780 /nfs/dbraw/zinc/14/87/80/1339148780.db2.gz MGEDQQVTOVASJA-GFCCVEGCSA-N -1 1 329.375 2.540 10 0 EFAEMM CN(CCCN(C)C(=O)c1ncccc1[O-])Cc1c(F)cccc1F ZINC001368538315 1339476775 /nfs/dbraw/zinc/47/67/75/1339476775.db2.gz DZEHOQSCFCLSBF-UHFFFAOYSA-N -1 1 349.381 2.660 10 0 EFAEMM CC[C@@H](CC(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-])C(C)(C)C ZINC001370469509 1340090576 /nfs/dbraw/zinc/09/05/76/1340090576.db2.gz FTFJENRJUMQJKL-KGLIPLIRSA-N -1 1 349.475 2.826 10 0 EFAEMM CC(C)CCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001370944525 1340300610 /nfs/dbraw/zinc/30/06/10/1340300610.db2.gz HYSGEOUWACYGGI-HUUCEWRRSA-N -1 1 347.459 2.628 10 0 EFAEMM CC[C@@H](CC(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001379318636 1345722487 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2.628 10 0 EFAEMM CCC[C@](C)(CC)C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001385299063 1350705214 /nfs/dbraw/zinc/70/52/14/1350705214.db2.gz XNDVKILZDCJMBQ-KUHUBIRLSA-N -1 1 347.459 2.677 10 0 EFAEMM CCC[C@@](C)(CC)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001385506436 1350873707 /nfs/dbraw/zinc/87/37/07/1350873707.db2.gz SNEOABMHOUOOEM-IFXJQAMLSA-N -1 1 347.459 2.724 10 0 EFAEMM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)CC(C)(C)C ZINC001386005386 1351215046 /nfs/dbraw/zinc/21/50/46/1351215046.db2.gz VHIXKUABMGWIER-MELADBBJSA-N -1 1 347.459 2.627 10 0 EFAEMM CC(C)(C)CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001386164592 1351323457 /nfs/dbraw/zinc/32/34/57/1351323457.db2.gz LHCRPLLGKBXBKK-JOCQHMNTSA-N -1 1 347.459 2.627 10 0 EFAEMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001388240511 1352558812 /nfs/dbraw/zinc/55/88/12/1352558812.db2.gz JIVXVAUQLYNTHB-UONOGXRCSA-N -1 1 349.475 2.684 10 0 EFAEMM CCC[C@@H]1CCC[C@@H]1C(=O)NCCN(CC)C(=O)c1ncccc1[O-] ZINC001388323381 1352623820 /nfs/dbraw/zinc/62/38/20/1352623820.db2.gz BPHBHBLHABDTAM-CABCVRRESA-N -1 1 347.459 2.582 10 0 EFAEMM C[C@H](CC(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-])C(C)(C)C ZINC001391067110 1354757477 /nfs/dbraw/zinc/75/74/77/1354757477.db2.gz ROBDNMSQNJBMGP-ZIAGYGMSSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)C(C)(C)C ZINC001391398338 1355168593 /nfs/dbraw/zinc/16/85/93/1355168593.db2.gz CLFDGSXAIXNFTA-KBPBESRZSA-N -1 1 349.475 2.730 10 0 EFAEMM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-])[C@H](C)C(C)(C)C ZINC001391810339 1355552669 /nfs/dbraw/zinc/55/26/69/1355552669.db2.gz VFXDIKPXXKBSAS-KGLIPLIRSA-N -1 1 349.475 2.636 10 0 EFAEMM C[C@@H](NC(=O)CCCC1CCCC1)[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001394971452 1358246457 /nfs/dbraw/zinc/24/64/57/1358246457.db2.gz ZNPYZCSIZDGDDJ-ZIAGYGMSSA-N -1 1 347.459 2.771 10 0 EFAEMM CC(C)N(CCN(C)C(=O)CC1CCCC1)C(=O)c1ncccc1[O-] ZINC001396098354 1359045171 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10 0 EFAEMM CCC[C@H](CC)C(=O)N(CC)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398845173 1360830379 /nfs/dbraw/zinc/83/03/79/1360830379.db2.gz FZBZUTGMKMAKMZ-LSDHHAIUSA-N -1 1 347.459 2.677 10 0 EFAEMM CC[C@@H](C)CCC(=O)N[C@@](C)(CNC(=O)c1ncccc1[O-])C1CC1 ZINC001399190676 1361056895 /nfs/dbraw/zinc/05/68/95/1361056895.db2.gz AWIJRPYWJWJYJR-YJYMSZOUSA-N -1 1 347.459 2.628 10 0 EFAEMM CCC[C@@H](C)CCCC(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001400412265 1361965422 /nfs/dbraw/zinc/96/54/22/1361965422.db2.gz CXUQPTCMRANYKY-CABCVRRESA-N -1 1 347.459 2.724 10 0 EFAEMM CC(C)C[C@@H](C)C(=O)N(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001404044987 1365203772 /nfs/dbraw/zinc/20/37/72/1365203772.db2.gz GIQKWEYZOHPXAY-HUUCEWRRSA-N -1 1 347.459 2.532 10 0 EFAEMM C[C@@H](NC(=O)C1CCC(C)(C)CC1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001404203151 1365348239 /nfs/dbraw/zinc/34/82/39/1365348239.db2.gz REKHOTYQHAHNFC-OLZOCXBDSA-N -1 1 347.459 2.627 10 0 EFAEMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@@H](C)CC(C)(C)C ZINC001492938540 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2.840 10 0 EFAEMM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(I)cc1[O-] ZINC001565668782 1415407419 /nfs/dbraw/zinc/40/74/19/1415407419.db2.gz QQFFNKMKMGQAOH-KWQFWETISA-N -1 1 345.180 2.915 10 0 EFAEMM O=C(Nc1cccc(Oc2cccnn2)c1)C(=O)c1ccc([O-])cc1 ZINC001565737099 1415413064 /nfs/dbraw/zinc/41/30/64/1415413064.db2.gz DSFZKXWTOIWRCN-UHFFFAOYSA-N -1 1 335.319 2.796 10 0 EFAEMM CCCCC[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)OC ZINC001566249843 1415536765 /nfs/dbraw/zinc/53/67/65/1415536765.db2.gz CBDTWRWPWZMWKG-CYBMUJFWSA-N -1 1 348.374 2.931 10 0 EFAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC001566304831 1415539665 /nfs/dbraw/zinc/53/96/65/1415539665.db2.gz XDMFWBSHMOCWLX-CQSZACIVSA-N -1 1 340.408 2.701 10 0 EFAEMM O=C(Cc1ccc(Cl)s1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000338208514 1429915109 /nfs/dbraw/zinc/91/51/09/1429915109.db2.gz UXKCWCTUXOYQFD-UHFFFAOYSA-N -1 1 333.804 2.687 10 0 EFAEMM CCC[C@@H](NC(=O)c1cc2c(Cl)cccc2nc1C)c1nnn[n-]1 ZINC000866420588 1428984413 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CON1CCC(CC(=O)Nc2ccc(Br)c([O-])c2)CC1 ZINC001645989173 1416596860 /nfs/dbraw/zinc/59/68/60/1416596860.db2.gz YIHBREZVDWISCD-UHFFFAOYSA-N -1 1 343.221 2.757 10 0 EFAEMM O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000129394957 1429111062 /nfs/dbraw/zinc/11/10/62/1429111062.db2.gz FYOIRPDVKCZBQW-MRVPVSSYSA-N -1 1 326.187 2.526 10 0 EFAEMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001646030435 1416603734 /nfs/dbraw/zinc/60/37/34/1416603734.db2.gz SWNZGBMXDDCELM-KEODLESXSA-N -1 1 331.384 2.688 10 0 EFAEMM CCC1(CC)CN(C[C@H](C)C(=O)c2ccc([O-])cc2)CC[S@@]1=O ZINC001646316183 1416647442 /nfs/dbraw/zinc/64/74/42/1416647442.db2.gz KNEWOAPBMZUHHB-PSLXWICFSA-N -1 1 337.485 2.834 10 0 EFAEMM O=C(C=Cc1ccc[nH]1)Nc1cc(C(=O)OCc2ccccc2)[nH]n1 ZINC001646347801 1416651197 /nfs/dbraw/zinc/65/11/97/1416651197.db2.gz OHEXDSTXJOCCMD-CMDGGOBGSA-N -1 1 336.351 2.747 10 0 EFAEMM Cc1nc(C(C)C)sc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC000910041319 1429121285 /nfs/dbraw/zinc/12/12/85/1429121285.db2.gz MBGJWCQDNUABDK-UHFFFAOYSA-N -1 1 342.428 2.931 10 0 EFAEMM CC(C)CCCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001687899255 1416891589 /nfs/dbraw/zinc/89/15/89/1416891589.db2.gz CCZDQBOSFXHXTN-OAHLLOKOSA-N -1 1 347.459 2.724 10 0 EFAEMM CC(C)CCCCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001687899254 1416891748 /nfs/dbraw/zinc/89/17/48/1416891748.db2.gz CCZDQBOSFXHXTN-HNNXBMFYSA-N -1 1 347.459 2.724 10 0 EFAEMM C[C@@H](CCCNC(=O)C(C)(C)C(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001701459943 1417727101 /nfs/dbraw/zinc/72/71/01/1417727101.db2.gz WSZBPZPCCLPXMD-ZDUSSCGKSA-N -1 1 349.475 2.874 10 0 EFAEMM CCCCC[C@H](C(=O)N1CC(NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001704510624 1417970914 /nfs/dbraw/zinc/97/09/14/1417970914.db2.gz XBDKLBZWJIDGKV-HNNXBMFYSA-N -1 1 347.459 2.580 10 0 EFAEMM C/C=C(/C)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CCCCC1 ZINC001704805026 1418156961 /nfs/dbraw/zinc/15/69/61/1418156961.db2.gz VRLOTJGXODNCDP-BTLPXRKTSA-N -1 1 345.443 2.548 10 0 EFAEMM C/C=C(/C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CCCCC1 ZINC001704805028 1418157240 /nfs/dbraw/zinc/15/72/40/1418157240.db2.gz VRLOTJGXODNCDP-NKHYGLGHSA-N -1 1 345.443 2.548 10 0 EFAEMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)=O)c(C)c1 ZINC000244180288 1419287822 /nfs/dbraw/zinc/28/78/22/1419287822.db2.gz VIRVDHGUYOCOJG-UHFFFAOYSA-N -1 1 334.397 2.763 10 0 EFAEMM O=C(c1ccc(OC2CCCC2)cc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000155562868 1429362150 /nfs/dbraw/zinc/36/21/50/1429362150.db2.gz DFALGIVRUUOWLW-AWEZNQCLSA-N -1 1 341.415 2.541 10 0 EFAEMM CCC1(C(=O)N[C@@H](CCSC)c2nnn[n-]2)CCC(F)(F)CC1 ZINC000912863365 1429414362 /nfs/dbraw/zinc/41/43/62/1429414362.db2.gz VOCRMKXGBBGSRV-JTQLQIEISA-N -1 1 347.435 2.716 10 0 EFAEMM CC/C=C(/C)C(=O)N(C)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001718115175 1422088022 /nfs/dbraw/zinc/08/80/22/1422088022.db2.gz UWJAFJGQMCNQMC-MLPAPPSSSA-N -1 1 345.443 2.643 10 0 EFAEMM CCCC[C@H](CNC(=O)[C@H]1CC=CCC1)NC(=O)c1ncccc1[O-] ZINC001718242050 1422154749 /nfs/dbraw/zinc/15/47/49/1422154749.db2.gz CPGQVOSUIVIURT-LSDHHAIUSA-N -1 1 345.443 2.548 10 0 EFAEMM CCC(=CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)CC ZINC001718360284 1422218641 /nfs/dbraw/zinc/21/86/41/1422218641.db2.gz GVBCKNQNVLXSGV-LSDHHAIUSA-N -1 1 345.443 2.691 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001718729866 1422447287 /nfs/dbraw/zinc/44/72/87/1422447287.db2.gz PPROBUZSDHXBNM-CABCVRRESA-N -1 1 345.443 2.643 10 0 EFAEMM CCC(=CC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1)CC ZINC001718736970 1422452459 /nfs/dbraw/zinc/45/24/59/1422452459.db2.gz MRGQFKRSURPMKA-GJZGRUSLSA-N -1 1 345.443 2.548 10 0 EFAEMM C[C@@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)/C=C/C(C)(C)C ZINC001719009579 1422621678 /nfs/dbraw/zinc/62/16/78/1422621678.db2.gz BBLOCXJKUAVQDO-VNDWYCCKSA-N -1 1 347.459 2.794 10 0 EFAEMM C[C@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)/C=C\C(C)(C)C ZINC001719009577 1422621807 /nfs/dbraw/zinc/62/18/07/1422621807.db2.gz BBLOCXJKUAVQDO-IWMPZKFUSA-N -1 1 347.459 2.794 10 0 EFAEMM C[C@@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)/C=C\C(C)(C)C ZINC001719009576 1422621977 /nfs/dbraw/zinc/62/19/77/1422621977.db2.gz BBLOCXJKUAVQDO-BMSUMIBZSA-N -1 1 347.459 2.794 10 0 EFAEMM COc1ccc(Cl)cc1Nc1nc[n-]c(=O)c1Br ZINC000167364019 1422749370 /nfs/dbraw/zinc/74/93/70/1422749370.db2.gz IAEPUEZDXXKRCW-UHFFFAOYSA-N -1 1 330.569 2.938 10 0 EFAEMM CC1(C)CCCC[C@@H]1CC(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001720261260 1422796484 /nfs/dbraw/zinc/79/64/84/1422796484.db2.gz ANMNVEALAQQUCY-CQSZACIVSA-N -1 1 347.459 2.630 10 0 EFAEMM CC/C=C(/C)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001720858219 1423257877 /nfs/dbraw/zinc/25/78/77/1423257877.db2.gz GZANIDUSDPGZLK-YGTTZKIMSA-N -1 1 345.443 2.500 10 0 EFAEMM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(F)c(F)cc1Cl ZINC000120587923 1423405193 /nfs/dbraw/zinc/40/51/93/1423405193.db2.gz UIZBYYDRCJCXOV-UHFFFAOYSA-N -1 1 349.728 2.974 10 0 EFAEMM CCC[C@@H](NC(=O)c1sc(C2CCCC2)nc1C)c1nnn[n-]1 ZINC000136677416 1423596961 /nfs/dbraw/zinc/59/69/61/1423596961.db2.gz WOYPDKUEXYOSHC-LLVKDONJSA-N -1 1 334.449 2.893 10 0 EFAEMM C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1nnn[n-]1 ZINC000044886262 1423600364 /nfs/dbraw/zinc/60/03/64/1423600364.db2.gz VMMZJOPCMMDULX-VIFPVBQESA-N -1 1 325.825 2.603 10 0 EFAEMM Cc1ccc2cccc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c2n1 ZINC000120689723 1423629490 /nfs/dbraw/zinc/62/94/90/1423629490.db2.gz WRWIBZLZNXOPPL-UHFFFAOYSA-N -1 1 344.378 2.899 10 0 EFAEMM COc1ccc(Cl)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000014168362 1423740614 /nfs/dbraw/zinc/74/06/14/1423740614.db2.gz HIMFRSZIZNSTCJ-UHFFFAOYSA-N -1 1 329.747 2.781 10 0 EFAEMM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120716567 1423757361 /nfs/dbraw/zinc/75/73/61/1423757361.db2.gz ZCKKVMOKLKIDKG-UHFFFAOYSA-N -1 1 335.411 2.998 10 0 EFAEMM O=C(CCc1ccc2[nH]ccc2c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000181304355 1423791002 /nfs/dbraw/zinc/79/10/02/1423791002.db2.gz CQEOKDMXSSFORT-UHFFFAOYSA-N -1 1 346.394 2.843 10 0 EFAEMM Cc1ccccc1SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068962415 1423873122 /nfs/dbraw/zinc/87/31/22/1423873122.db2.gz XSEQIOIHBYYJSV-UHFFFAOYSA-N -1 1 339.424 2.584 10 0 EFAEMM CC(C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)C)=C1CCCC1 ZINC001721664655 1423913584 /nfs/dbraw/zinc/91/35/84/1423913584.db2.gz BYWNRPGVOKEXPX-HNNXBMFYSA-N -1 1 345.443 2.548 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(-c2ccccc2)no1 ZINC000135546099 1423943155 /nfs/dbraw/zinc/94/31/55/1423943155.db2.gz LACRGGGJOGWISK-UHFFFAOYSA-N -1 1 346.350 2.698 10 0 EFAEMM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1 ZINC000183453142 1424033174 /nfs/dbraw/zinc/03/31/74/1424033174.db2.gz FSLFBFHOWBPFOP-KCXAZCMYSA-N -1 1 327.432 2.689 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(Cl)ccc1F ZINC000135556001 1424033786 /nfs/dbraw/zinc/03/37/86/1424033786.db2.gz VMTZPOBPFKPEJA-UHFFFAOYSA-N -1 1 331.738 2.835 10 0 EFAEMM CC/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](CC)C1 ZINC001721983591 1424098847 /nfs/dbraw/zinc/09/88/47/1424098847.db2.gz JYNYJKRCTOXOSJ-YGTTZKIMSA-N -1 1 345.443 2.500 10 0 EFAEMM CCCCCC[C@H](C)C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001722040330 1424139079 /nfs/dbraw/zinc/13/90/79/1424139079.db2.gz KVBRESDFZZLVDB-LSDHHAIUSA-N -1 1 347.459 2.724 10 0 EFAEMM CC(C)Cc1cccc([C@H](C)C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000286004804 1424247894 /nfs/dbraw/zinc/24/78/94/1424247894.db2.gz HRGJQCKFHALFOI-KBPBESRZSA-N -1 1 329.448 2.764 10 0 EFAEMM O=C(Cc1cnc2ccccc2c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000131729345 1424282929 /nfs/dbraw/zinc/28/29/29/1424282929.db2.gz JYWWVHHORSNDHF-UHFFFAOYSA-N -1 1 344.378 2.520 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2c(s1)CCCC2 ZINC000135550238 1424361317 /nfs/dbraw/zinc/36/13/17/1424361317.db2.gz LIOXLRQWYULZHH-UHFFFAOYSA-N -1 1 339.424 2.983 10 0 EFAEMM CCC[C@@H](NC(=O)c1cc2ccnc(Cl)c2s1)c1nn[n-]n1 ZINC000866420553 1424469927 /nfs/dbraw/zinc/46/99/27/1424469927.db2.gz PLNATYZJPHWOFS-MRVPVSSYSA-N -1 1 336.808 2.734 10 0 EFAEMM CCC[C@H](NC(=O)c1cc2sccc2nc1Cl)c1nn[n-]n1 ZINC000829801601 1424508455 /nfs/dbraw/zinc/50/84/55/1424508455.db2.gz SEIGHLZSGZUHMJ-VIFPVBQESA-N -1 1 336.808 2.734 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CSc2ccccc21 ZINC000120658200 1424529128 /nfs/dbraw/zinc/52/91/28/1424529128.db2.gz ULFHBQOXTVZQSQ-AWEZNQCLSA-N -1 1 337.408 2.619 10 0 EFAEMM CC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000125011598 1424581494 /nfs/dbraw/zinc/58/14/94/1424581494.db2.gz GFEHKDZADJOFPX-MRXNPFEDSA-N -1 1 339.374 2.816 10 0 EFAEMM O=C(Cc1ccccc1Cl)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135572332 1424591623 /nfs/dbraw/zinc/59/16/23/1424591623.db2.gz LXEKOLZBEGBKQZ-UHFFFAOYSA-N -1 1 327.775 2.625 10 0 EFAEMM CCC[C@H](NC(=O)c1csc(-c2ccc(C)cc2)n1)c1nn[n-]n1 ZINC000136637920 1424617166 /nfs/dbraw/zinc/61/71/66/1424617166.db2.gz SOTMSRFIAKCWCM-LBPRGKRZSA-N -1 1 342.428 2.903 10 0 EFAEMM CCC[C@H](NC(=O)CCCCC(=O)c1ccccc1)c1nnn[n-]1 ZINC000136660476 1424721594 /nfs/dbraw/zinc/72/15/94/1424721594.db2.gz MXMQQKYGYNVAAG-AWEZNQCLSA-N -1 1 329.404 2.600 10 0 EFAEMM C[C@H](CN(C)C(=O)c1ccccc1CCc1ccccc1)c1nnn[n-]1 ZINC000183394737 1424796263 /nfs/dbraw/zinc/79/62/63/1424796263.db2.gz GWFWCOSAYDOJCG-OAHLLOKOSA-N -1 1 349.438 2.861 10 0 EFAEMM CC(C)(C)OC(=O)NC(C)(C)CCNc1cccc(-c2nnn[n-]2)c1 ZINC000302575390 1424862786 /nfs/dbraw/zinc/86/27/86/1424862786.db2.gz CLFHOXUKEJLSSM-UHFFFAOYSA-N -1 1 346.435 2.972 10 0 EFAEMM CC(C)Cc1ccc([C@@H](C)C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1 ZINC000124250070 1424867524 /nfs/dbraw/zinc/86/75/24/1424867524.db2.gz CSNMSEJKKWRMIN-ZIAGYGMSSA-N -1 1 329.448 2.764 10 0 EFAEMM O=C(N[C@@H]1CCCc2sccc21)c1cccc(Nc2nn[n-]n2)c1 ZINC000907427012 1424958974 /nfs/dbraw/zinc/95/89/74/1424958974.db2.gz WPYDOMYTCXJNCW-CYBMUJFWSA-N -1 1 340.412 2.812 10 0 EFAEMM O=C(c1csc(C2CCCCC2)c1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC000827960278 1425440593 /nfs/dbraw/zinc/44/05/93/1425440593.db2.gz DOVJANZXUOYMCS-CYBMUJFWSA-N -1 1 347.444 2.523 10 0 EFAEMM O=C(c1cccc(Nc2nn[n-]n2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000900210480 1425829862 /nfs/dbraw/zinc/82/98/62/1425829862.db2.gz YTPAKJITRBCFPV-CQSZACIVSA-N -1 1 340.412 2.982 10 0 EFAEMM CCCC[C@@H](CNC(=O)C[C@@H]1C=CCC1)NC(=O)c1ncccc1[O-] ZINC001726070554 1426058457 /nfs/dbraw/zinc/05/84/57/1426058457.db2.gz SIIKUIUKDAPQBW-CABCVRRESA-N -1 1 345.443 2.548 10 0 EFAEMM CCCC[C@H](CNC(=O)[C@]1(C)C=CCC1)NC(=O)c1ncccc1[O-] ZINC001726072324 1426060026 /nfs/dbraw/zinc/06/00/26/1426060026.db2.gz XKIIPNIXHNPHGZ-AUUYWEPGSA-N -1 1 345.443 2.548 10 0 EFAEMM CC(C)=C(C)CC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001726144966 1426112855 /nfs/dbraw/zinc/11/28/55/1426112855.db2.gz SGEUVCZYSQEJNI-HNNXBMFYSA-N -1 1 345.443 2.500 10 0 EFAEMM CCCC(C)(C)C(=O)NCCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001726273222 1426213922 /nfs/dbraw/zinc/21/39/22/1426213922.db2.gz VGLKILAPFABZLO-ZDUSSCGKSA-N -1 1 335.448 2.628 10 0 EFAEMM C[C@H](c1nnn[n-]1)N(C)C(=O)c1cccc(OCc2ccccc2)c1 ZINC000707195418 1426586930 /nfs/dbraw/zinc/58/69/30/1426586930.db2.gz MZMZJKFZLQOCCE-CYBMUJFWSA-N -1 1 337.383 2.612 10 0 EFAEMM O=C(CCc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nnn[n-]1 ZINC000900395749 1426802013 /nfs/dbraw/zinc/80/20/13/1426802013.db2.gz KIVJGRGIMXBKCL-LBPRGKRZSA-N -1 1 339.321 2.515 10 0 EFAEMM CCCc1cnc(NC(=O)c2cccc(Nc3nn[n-]n3)c2)s1 ZINC001137867692 1426908195 /nfs/dbraw/zinc/90/81/95/1426908195.db2.gz FZZKTWLTYHKLDD-UHFFFAOYSA-N -1 1 329.389 2.605 10 0 EFAEMM CCSCc1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cc1 ZINC000345492452 1427302811 /nfs/dbraw/zinc/30/28/11/1427302811.db2.gz XUVNYZKDMBVXGF-UHFFFAOYSA-N -1 1 331.445 2.652 10 0 EFAEMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccccc1C1CCC1 ZINC000827900880 1427901161 /nfs/dbraw/zinc/90/11/61/1427901161.db2.gz HFHJGMPASMAADK-KRWDZBQOSA-N -1 1 333.395 2.987 10 0 EFAEMM C[C@H](c1nnn[n-]1)N(C)C(=O)c1ccccc1OCc1ccccc1 ZINC000707195397 1427935005 /nfs/dbraw/zinc/93/50/05/1427935005.db2.gz MPUWKGBZELOSGY-CYBMUJFWSA-N -1 1 337.383 2.612 10 0 EFAEMM O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000129388471 1430173051 /nfs/dbraw/zinc/17/30/51/1430173051.db2.gz UMHIIHWVLDRYRF-GFCCVEGCSA-N -1 1 341.346 2.619 10 0 EFAEMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)c2ccccc21 ZINC000907357541 1441439665 /nfs/dbraw/zinc/43/96/65/1441439665.db2.gz FMKGQERIWUTMMX-GFCCVEGCSA-N -1 1 334.383 2.806 10 0 EFAEMM O=C(C1CCC(c2ccccc2)CC1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000129319468 1441776009 /nfs/dbraw/zinc/77/60/09/1441776009.db2.gz FYCAWFDPKDJOHR-OFLPRAFFSA-N -1 1 339.443 2.880 10 0 EFAEMM O=C(C=CC1CCCCCC1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000913438023 1442239944 /nfs/dbraw/zinc/23/99/44/1442239944.db2.gz PUZICRHSMPPYOM-GZKZCVOOSA-N -1 1 325.416 2.932 10 0 EFAEMM O=C(c1cccc(Nc2nn[n-]n2)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000900056733 1443449592 /nfs/dbraw/zinc/44/95/92/1443449592.db2.gz CDPQYGMFAKLDON-KRWDZBQOSA-N -1 1 348.410 2.791 10 0 EFAEMM CC=CC[C@H]1CCCN(C(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC000913352517 1443480530 /nfs/dbraw/zinc/48/05/30/1443480530.db2.gz MICPXPWTNPWZCS-IBUXWKBASA-N -1 1 326.404 2.762 10 0 EFAEMM O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(Nc2nn[n-]n2)c1 ZINC000900107761 1443572188 /nfs/dbraw/zinc/57/21/88/1443572188.db2.gz WDFYHDSLNIKVQL-HNNXBMFYSA-N -1 1 348.410 2.793 10 0 EFAEMM O=C(NC1(c2nnn[n-]2)CC1)c1occc1CSc1ccccc1 ZINC000357074873 1443609947 /nfs/dbraw/zinc/60/99/47/1443609947.db2.gz ORFVOCLJLAAAHS-UHFFFAOYSA-N -1 1 341.396 2.504 10 0 EFAEMM CC(C)(C)C=CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000769656400 1443649520 /nfs/dbraw/zinc/64/95/20/1443649520.db2.gz FOZKUFTYNJKWND-FMFIFOJESA-N -1 1 337.786 2.800 10 0 EFAEMM CC(C)c1ncsc1NC(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC001140900998 1443654935 /nfs/dbraw/zinc/65/49/35/1443654935.db2.gz LYUYIUCOVDWVSO-UHFFFAOYSA-N -1 1 329.389 2.776 10 0 EFAEMM CCN(Cc1occc1C)C(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC000910471758 1443854227 /nfs/dbraw/zinc/85/42/27/1443854227.db2.gz YHDKCZJASOHUPF-UHFFFAOYSA-N -1 1 326.360 2.507 10 0 EFAEMM O=C(NC1(c2nnn[n-]2)CC1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000430314466 1443880330 /nfs/dbraw/zinc/88/03/30/1443880330.db2.gz KCHGISOFGRHKNR-UHFFFAOYSA-N -1 1 345.834 2.762 10 0 EFAEMM O=C(CCc1nnn[n-]1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000865147500 1443891793 /nfs/dbraw/zinc/89/17/93/1443891793.db2.gz DYXVXQKZBMRJTB-GFCCVEGCSA-N -1 1 339.321 2.515 10 0 EFAEMM COc1cccc2c1[C@@H](C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000339689986 1443926168 /nfs/dbraw/zinc/92/61/68/1443926168.db2.gz DXVYQQQFKUUURI-AWEZNQCLSA-N -1 1 335.367 2.544 10 0 EFAEMM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000358414723 1443933667 /nfs/dbraw/zinc/93/36/67/1443933667.db2.gz QBAJOXGTKHYDBZ-DZGCQCFKSA-N -1 1 345.447 2.743 10 0 EFAEMM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)NC2(c3nnn[n-]3)CC2)CC1 ZINC000671810094 1446184946 /nfs/dbraw/zinc/18/49/46/1446184946.db2.gz SRLPQNLLCFTTSN-UIORMTCPSA-N -1 1 331.464 2.938 10 0 EFAEMM O=C(CCCOc1ccc(Cl)cc1)NC1(c2nnn[n-]2)CCCC1 ZINC000345484613 1446218736 /nfs/dbraw/zinc/21/87/36/1446218736.db2.gz PHCSKZXRTPPAST-UHFFFAOYSA-N -1 1 349.822 2.598 10 0 EFAEMM O=C(c1cccc(Nc2nn[n-]n2)c1)N1CCC[C@@H](c2ccccc2)C1 ZINC000908371222 1446381810 /nfs/dbraw/zinc/38/18/10/1446381810.db2.gz CCGPLNOUPHYLLH-MRXNPFEDSA-N -1 1 348.410 2.963 10 0 EFAEMM C[C@@H](Cc1ccccc1Cl)C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000338225479 1446527191 /nfs/dbraw/zinc/52/71/91/1446527191.db2.gz FKPZPJSFUZUOJB-NSHDSACASA-N -1 1 333.823 2.617 10 0 EFAEMM C[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)c1nnn[n-]1 ZINC000159606373 1446664267 /nfs/dbraw/zinc/66/42/67/1446664267.db2.gz RPMYYLNMAIGFGS-MRVPVSSYSA-N -1 1 346.188 2.606 10 0 EFAEMM CCC(=CC(=O)NC1(c2nnn[n-]2)CCCC1)c1ccc(OC)cc1 ZINC000747414881 1446831681 /nfs/dbraw/zinc/83/16/81/1446831681.db2.gz JPCCOFQTHWMCJQ-SEYXRHQNSA-N -1 1 341.415 2.587 10 0 EFAEMM O=C(Cc1cccc(Cl)c1F)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000355083680 1447223784 /nfs/dbraw/zinc/22/37/84/1447223784.db2.gz SIJKVPWPZKWJEM-UHFFFAOYSA-N -1 1 345.765 2.764 10 0 EFAEMM CCC[C@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1nnn[n-]1 ZINC000343871751 1447243363 /nfs/dbraw/zinc/24/33/63/1447243363.db2.gz WCWWEBSYWMSOQU-LBPRGKRZSA-N -1 1 341.337 2.809 10 0 EFAEMM C[C@@H](CCCc1ccccc1)C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000342867657 1449511087 /nfs/dbraw/zinc/51/10/87/1449511087.db2.gz SJVJIGVSKIXAIH-AWEZNQCLSA-N -1 1 327.432 2.744 10 0 EFAEMM CCC[C@@H](NC(=O)Cc1csc2sc(C)cc12)c1nnn[n-]1 ZINC000866420929 1450011241 /nfs/dbraw/zinc/01/12/41/1450011241.db2.gz SWOFUKIUEOYTQC-LLVKDONJSA-N -1 1 335.458 2.984 10 0 EFAEMM Cc1nc2cc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)ccc2o1 ZINC000078803489 713362430 /nfs/dbraw/zinc/36/24/30/713362430.db2.gz NIRUFNYZXJPDPN-UHFFFAOYSA-N -1 1 326.356 2.904 10 0 EFAEMM CSc1nc(C)c(CCC(=O)OC/C=C/Br)c(=O)[n-]1 ZINC000813927210 713984981 /nfs/dbraw/zinc/98/49/81/713984981.db2.gz NZKHVJCOCUISKY-ZZXKWVIFSA-N -1 1 347.234 2.597 10 0 EFAEMM O=S(=O)(/C=C\c1ccc(Br)cc1)[N-]CC(F)F ZINC000255172821 714059413 /nfs/dbraw/zinc/05/94/13/714059413.db2.gz STNBMWNYHFFKNI-WAYWQWQTSA-N -1 1 326.162 2.604 10 0 EFAEMM CSc1nc(C)c(CCC(=O)OCCCC(F)(F)F)c(=O)[n-]1 ZINC000157443646 714751128 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EFAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NC[C@]1(C)CC1(C)C ZINC001372367547 1340773078 /nfs/dbraw/zinc/77/30/78/1340773078.db2.gz KVSVVFRJXAEXDT-PGUXBMHVSA-N -1 1 349.397 2.664 10 0 EFAEMM CC(C)c1ccc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001372835676 1340828226 /nfs/dbraw/zinc/82/82/26/1340828226.db2.gz PABGPZKZBYAVDN-LLVKDONJSA-N -1 1 347.440 2.520 10 0 EFAEMM CCOC(=O)c1nc(NC(=O)c2nc(C)sc2C)[n-]c1Cl ZINC001417583543 1373061969 /nfs/dbraw/zinc/06/19/69/1373061969.db2.gz LHAPSFPCPRLTHZ-UHFFFAOYSA-N -1 1 328.781 2.565 10 0 EFAEMM CC(C)[C@H](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001380216294 1347555391 /nfs/dbraw/zinc/55/53/91/1347555391.db2.gz JPNUDDFMKHXMNQ-CABCVRRESA-N -1 1 347.459 2.532 10 0 EFAEMM CC[C@H](C)CC(=O)N(C)CC[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001381031265 1348032796 /nfs/dbraw/zinc/03/27/96/1348032796.db2.gz ZKXIHZYWZSQWJI-LSDHHAIUSA-N -1 1 349.475 2.826 10 0 EFAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C[C@H](C)C(C)C ZINC001385029614 1350519120 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2.580 10 0 EFAEMM CCC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001395329053 1358534359 /nfs/dbraw/zinc/53/43/59/1358534359.db2.gz YQXDSOIXVNEGQG-UKRRQHHQSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)CCCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001395388372 1358562668 /nfs/dbraw/zinc/56/26/68/1358562668.db2.gz YUOQNACJZIKZAY-LSDHHAIUSA-N -1 1 347.459 2.771 10 0 EFAEMM CCC[C@H](C)C(=O)N(C)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001396332488 1359217993 /nfs/dbraw/zinc/21/79/93/1359217993.db2.gz MODUEWJBIVZWJP-LSDHHAIUSA-N -1 1 347.459 2.677 10 0 EFAEMM CCC[C@@H](C)C(=O)N(C)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001396332486 1359218325 /nfs/dbraw/zinc/21/83/25/1359218325.db2.gz MODUEWJBIVZWJP-HUUCEWRRSA-N -1 1 347.459 2.677 10 0 EFAEMM CC[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001396745453 1359444403 /nfs/dbraw/zinc/44/44/03/1359444403.db2.gz ZJTBHGMWBLGCMI-UONOGXRCSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCN(CCNC(=O)C[C@H]1CC[C@H](C)C1)C(=O)c1ncccc1[O-] ZINC001398267442 1360431165 /nfs/dbraw/zinc/43/11/65/1360431165.db2.gz FPEAKWRPQPLPEX-GJZGRUSLSA-N -1 1 347.459 2.582 10 0 EFAEMM CC(C)C[C@@H](C)CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001398524399 1360624391 /nfs/dbraw/zinc/62/43/91/1360624391.db2.gz LDOGFAVDRMCCLQ-CABCVRRESA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)C[C@H](C)CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001398524406 1360624479 /nfs/dbraw/zinc/62/44/79/1360624479.db2.gz LDOGFAVDRMCCLQ-GJZGRUSLSA-N -1 1 347.459 2.580 10 0 EFAEMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(C)CCC(C)CC1 ZINC001398941472 1360885045 /nfs/dbraw/zinc/88/50/45/1360885045.db2.gz KQMYPWIORZJGGC-BIWSTMPVSA-N -1 1 347.459 2.628 10 0 EFAEMM CC[C@H](C)CCC(=O)N[C@](C)(CNC(=O)c1ncccc1[O-])C1CC1 ZINC001399190671 1361057216 /nfs/dbraw/zinc/05/72/16/1361057216.db2.gz AWIJRPYWJWJYJR-ORAYPTAESA-N -1 1 347.459 2.628 10 0 EFAEMM CC(C)[C@@H](C)C(=O)N1CCCC[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001399544304 1361320688 /nfs/dbraw/zinc/32/06/88/1361320688.db2.gz 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CCC[C@H](CC)C(=O)NC[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001407944233 1369440334 /nfs/dbraw/zinc/44/03/34/1369440334.db2.gz RHCIBRGMZIPAGW-GJZGRUSLSA-N -1 1 347.459 2.582 10 0 EFAEMM CCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001414339338 1370241818 /nfs/dbraw/zinc/24/18/18/1370241818.db2.gz RCRQDSUIWPPZME-CQSZACIVSA-N -1 1 347.459 2.724 10 0 EFAEMM O=C(NCc1ccc([O-])c(Cl)c1)NC[C@H]1Cc2ccccc2O1 ZINC001414700166 1370605336 /nfs/dbraw/zinc/60/53/36/1370605336.db2.gz VGDKDKCDJRBNMS-CYBMUJFWSA-N -1 1 332.787 2.849 10 0 EFAEMM CCC[C@H](CC(C)C)C(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001417255002 1372651201 /nfs/dbraw/zinc/65/12/01/1372651201.db2.gz JSIPDISQYKQNNQ-CQSZACIVSA-N -1 1 347.459 2.532 10 0 EFAEMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCCC[C@@H]2F)c(=O)[n-]1 ZINC001417571255 1373047384 /nfs/dbraw/zinc/04/73/84/1373047384.db2.gz XSQLVUXOSPPKIB-NWDGAFQWSA-N -1 1 327.425 2.542 10 0 EFAEMM CCOc1cc(CNC(=O)c2ccc([O-])cn2)ccc1OC(F)F ZINC001417613825 1373092797 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SSNOQLCQAOTLHT-NDBFUVGKSA-N -1 1 339.819 2.748 10 0 EFAEMM COc1cc(F)c(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1F ZINC001545771946 1381209959 /nfs/dbraw/zinc/20/99/59/1381209959.db2.gz GNANVFARPVKWTG-UHFFFAOYSA-N -1 1 336.323 2.557 10 0 EFAEMM C[C@@H]1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CN1C(=O)c1ncccc1[O-] ZINC001425611051 1383712166 /nfs/dbraw/zinc/71/21/66/1383712166.db2.gz SODSYYGXMHNLLU-OLZOCXBDSA-N -1 1 347.459 2.579 10 0 EFAEMM CCC[C@@H](C(=O)NC[C@@H](C)N(CC)C(=O)c1ncccc1[O-])C(C)C ZINC001426371781 1384273889 /nfs/dbraw/zinc/27/38/89/1384273889.db2.gz LLUFDBCAQAQMLM-HUUCEWRRSA-N -1 1 349.475 2.826 10 0 EFAEMM CC[C@@H](CC(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-])C(C)(C)C ZINC001426755146 1384538578 /nfs/dbraw/zinc/53/85/78/1384538578.db2.gz OQRRQNKAKTYEGI-KBPBESRZSA-N -1 1 349.475 2.826 10 0 EFAEMM CC1(C)C[C@@H](NC(=O)NCCc2c(F)cc([O-])cc2F)C(C)(C)O1 ZINC001427255675 1384839342 /nfs/dbraw/zinc/83/93/42/1384839342.db2.gz AREZGKADWYKVAT-CQSZACIVSA-N -1 1 342.386 2.858 10 0 EFAEMM CCC[C@H](C)CCCC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001428192852 1385339472 /nfs/dbraw/zinc/33/94/72/1385339472.db2.gz CGWKILPPIRDWOF-KKUMJFAQSA-N -1 1 347.459 2.771 10 0 EFAEMM C[C@@]12CSC[C@@H]1CN(C(=O)NCc1ccc([O-])c(Cl)c1)C2 ZINC001428233656 1385349724 /nfs/dbraw/zinc/34/97/24/1385349724.db2.gz MVLHQVUANLFQSQ-XHDPSFHLSA-N -1 1 326.849 2.940 10 0 EFAEMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)CC1CC(C)(C)C1 ZINC001428582104 1385514554 /nfs/dbraw/zinc/51/45/54/1385514554.db2.gz GCOVFYLYLGXKKT-CHWSQXEVSA-N -1 1 347.459 2.627 10 0 EFAEMM CCCC[C@H](CC)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001428851870 1385615797 /nfs/dbraw/zinc/61/57/97/1385615797.db2.gz GIPBDTOJQBJZRG-GJZGRUSLSA-N -1 1 347.459 2.582 10 0 EFAEMM CCCCC1(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C(C)C)CC1 ZINC001433127860 1386813893 /nfs/dbraw/zinc/81/38/93/1386813893.db2.gz IZUDNHCVCAUVCG-CQSZACIVSA-N -1 1 347.459 2.628 10 0 EFAEMM CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc([O-])c1F ZINC001433657326 1386943975 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/nfs/dbraw/zinc/03/43/76/1397034376.db2.gz JKPJUYKNHIQJHP-LLVKDONJSA-N -1 1 330.400 2.798 10 0 EFAEMM COc1cccc2nc(NC(=O)c3cnc(SC)[n-]c3=O)sc21 ZINC001469527458 1397035575 /nfs/dbraw/zinc/03/55/75/1397035575.db2.gz MAUWYQXPGQHYQW-UHFFFAOYSA-N -1 1 348.409 2.775 10 0 EFAEMM C[C@H]1CC/C(=C/C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1 ZINC001469560075 1397038052 /nfs/dbraw/zinc/03/80/52/1397038052.db2.gz ZCHPQLVNBZNYSC-MPOSIDQISA-N -1 1 332.366 2.791 10 0 EFAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1CCC=CCC1 ZINC001469559502 1397038482 /nfs/dbraw/zinc/03/84/82/1397038482.db2.gz RECQABBLGHKRFC-AAEUAGOBSA-N -1 1 332.366 2.791 10 0 EFAEMM O=C(N[C@H](Cc1ccccc1)c1ncon1)c1ccc([O-])cc1F ZINC001469602592 1397042141 /nfs/dbraw/zinc/04/21/41/1397042141.db2.gz LGUQYGYVAIXPSE-OAHLLOKOSA-N -1 1 327.315 2.628 10 0 EFAEMM CC(=O)NCc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC001470021127 1397067895 /nfs/dbraw/zinc/06/78/95/1397067895.db2.gz VCHNZEWZISYQPP-UHFFFAOYSA-N -1 1 332.787 2.612 10 0 EFAEMM O=C(NCc1nnc2ccc(Cl)cn21)c1c([O-])cccc1Cl ZINC001470344084 1397087962 /nfs/dbraw/zinc/08/79/62/1397087962.db2.gz KEXGANUWHSGZML-UHFFFAOYSA-N -1 1 337.166 2.672 10 0 EFAEMM COc1ccc(C(C)=CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC001470629354 1397104423 /nfs/dbraw/zinc/10/44/23/1397104423.db2.gz MBXNXBARFTUSGG-HHNLSAEISA-N -1 1 349.394 2.517 10 0 EFAEMM COC(CNC(=O)c1c(F)ccc([O-])c1F)(OC)c1ccccc1 ZINC001470656840 1397107125 /nfs/dbraw/zinc/10/71/25/1397107125.db2.gz CCKXASFPTNTPQD-UHFFFAOYSA-N -1 1 337.322 2.546 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H](C)CCc1ccccc1F ZINC001471645989 1397191929 /nfs/dbraw/zinc/19/19/29/1397191929.db2.gz NJKMEWXAZYPCKN-ZDUSSCGKSA-N -1 1 333.411 2.592 10 0 EFAEMM CCOC(=O)[C@@H](CC1CC1)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001471712474 1397200463 /nfs/dbraw/zinc/20/04/63/1397200463.db2.gz QWRBHOUESCPPNW-CYBMUJFWSA-N -1 1 346.358 2.541 10 0 EFAEMM CC(C)O[C@]1(CNC(=O)c2cc3ccccc3cc2[O-])CCOC1 ZINC001471998856 1397232680 /nfs/dbraw/zinc/23/26/80/1397232680.db2.gz SSLLHWPGCJASFH-IBGZPJMESA-N -1 1 329.396 2.859 10 0 EFAEMM CCCCc1ccc(C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)cc1 ZINC001472061660 1397242023 /nfs/dbraw/zinc/24/20/23/1397242023.db2.gz WWPURERNMZZNFT-UHFFFAOYSA-N -1 1 343.427 2.854 10 0 EFAEMM CCC(C)(C)OC1CN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001479416508 1397720417 /nfs/dbraw/zinc/72/04/17/1397720417.db2.gz GHTMXALLWFMIGC-UHFFFAOYSA-N -1 1 342.386 2.812 10 0 EFAEMM CCN(CCCNC(=O)[C@H]1CCC[C@H](C)C1)C(=O)c1ncccc1[O-] ZINC001493011298 1398357344 /nfs/dbraw/zinc/35/73/44/1398357344.db2.gz RJXHMFFFOOLXBX-GJZGRUSLSA-N -1 1 347.459 2.582 10 0 EFAEMM Cc1ccc(CN(C)CCN(C)C(=O)c2ncccc2[O-])c(Cl)c1 ZINC001496691989 1400923411 /nfs/dbraw/zinc/92/34/11/1400923411.db2.gz XVCWIPHRLHFCNV-UHFFFAOYSA-N -1 1 347.846 2.953 10 0 EFAEMM CC[C@@H](CNC(=O)C(C)(C)CC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001499122408 1402483156 /nfs/dbraw/zinc/48/31/56/1402483156.db2.gz MYCLMVQOFYCRIH-ZDUSSCGKSA-N -1 1 349.475 2.874 10 0 EFAEMM CCCCCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001501310196 1403539959 /nfs/dbraw/zinc/53/99/59/1403539959.db2.gz VTBKGTYAUHUFFN-LSDHHAIUSA-N -1 1 347.459 2.772 10 0 EFAEMM CC1=C(C)C[C@H](C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])CC1 ZINC001508876305 1407703539 /nfs/dbraw/zinc/70/35/39/1407703539.db2.gz FLMOLYRDJVIFDR-HUUCEWRRSA-N -1 1 345.443 2.500 10 0 EFAEMM CC1=C(C)C[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])CC1 ZINC001508876298 1407703615 /nfs/dbraw/zinc/70/36/15/1407703615.db2.gz FLMOLYRDJVIFDR-CABCVRRESA-N -1 1 345.443 2.500 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001509595629 1408054977 /nfs/dbraw/zinc/05/49/77/1408054977.db2.gz OFVVEUGZRJAQJK-HNNXBMFYSA-N -1 1 345.443 2.500 10 0 EFAEMM CCC[C@](C)(CC)C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001509924672 1408170167 /nfs/dbraw/zinc/17/01/67/1408170167.db2.gz ZACCVHFUYQFRHC-NJSLBKSFSA-N -1 1 347.459 2.628 10 0 EFAEMM CCCCCC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001510591016 1412757968 /nfs/dbraw/zinc/75/79/68/1412757968.db2.gz CPBQBTHLFSJRRG-AWEZNQCLSA-N -1 1 349.475 2.970 10 0 EFAEMM CCC[C@@H](C)CC(=O)N(CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001511690769 1413078539 /nfs/dbraw/zinc/07/85/39/1413078539.db2.gz RKNAKYBHFMWBQS-OAHLLOKOSA-N -1 1 349.475 2.923 10 0 EFAEMM CCC[C@H](C)CC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001511760228 1413119866 /nfs/dbraw/zinc/11/98/66/1413119866.db2.gz UBNUHDWWHUSANX-ZFWWWQNUSA-N -1 1 349.475 2.874 10 0 EFAEMM CCC(=CC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C)CC ZINC001511773149 1413129735 /nfs/dbraw/zinc/12/97/35/1413129735.db2.gz ZEGVPCJIFSGYRD-OAHLLOKOSA-N -1 1 347.459 2.794 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001512147310 1413293544 /nfs/dbraw/zinc/29/35/44/1413293544.db2.gz DDVQARYDPLSDQB-HUUCEWRRSA-N -1 1 345.443 2.643 10 0 EFAEMM CCN(C(=O)CC1(C)CCCC1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001512404638 1413420755 /nfs/dbraw/zinc/42/07/55/1413420755.db2.gz GPWLUBJNKPVJKP-CQSZACIVSA-N -1 1 347.459 2.724 10 0 EFAEMM O=C(NC1(c2nnn[n-]2)CCCC1)c1cccc(C(F)(F)F)c1F ZINC000674321337 1428734049 /nfs/dbraw/zinc/73/40/49/1428734049.db2.gz QTUQPRIYEDYVBF-UHFFFAOYSA-N -1 1 343.284 2.557 10 0 EFAEMM C[C@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)C(C)(C)C ZINC001512687428 1413534762 /nfs/dbraw/zinc/53/47/62/1413534762.db2.gz GULJKBRCBNJIPS-KGLIPLIRSA-N -1 1 349.475 2.874 10 0 EFAEMM CNc1cnc(C(=O)Nc2cc(C)cc(Br)c2[O-])cn1 ZINC001566891473 1415024492 /nfs/dbraw/zinc/02/44/92/1415024492.db2.gz QHWOQFYCLKUOQN-UHFFFAOYSA-N -1 1 337.177 2.547 10 0 EFAEMM CCn1cc(Cl)c(C(=O)Nc2nc(Br)ccc2[O-])n1 ZINC001556251675 1415060075 /nfs/dbraw/zinc/06/00/75/1415060075.db2.gz QWNWGPPPXVPZCP-UHFFFAOYSA-N -1 1 345.584 2.672 10 0 EFAEMM CCC(CC)(NC(=O)C=Cc1ccnc2ccccc12)c1nn[n-]n1 ZINC001556494696 1415072356 /nfs/dbraw/zinc/07/23/56/1415072356.db2.gz AIJCJSLEODNLFQ-MDZDMXLPSA-N -1 1 336.399 2.593 10 0 EFAEMM Cc1nc(C(=O)Nc2ccc([O-])c(F)c2F)nn1-c1ccccc1 ZINC001556591982 1415077782 /nfs/dbraw/zinc/07/77/82/1415077782.db2.gz STUPKHWSJXOURC-UHFFFAOYSA-N -1 1 330.294 2.812 10 0 EFAEMM O=C(C[C@@H](n1cccn1)C(F)(F)F)Nc1ccc([O-])c(F)c1F ZINC001556592501 1415077792 /nfs/dbraw/zinc/07/77/92/1415077792.db2.gz PWAUFBGEFGCPHR-SECBINFHSA-N -1 1 335.232 2.999 10 0 EFAEMM CC[C@@H](COCC(F)(F)F)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001556740266 1415085795 /nfs/dbraw/zinc/08/57/95/1415085795.db2.gz PNXYGCDENYKTPI-NSHDSACASA-N -1 1 333.306 2.600 10 0 EFAEMM O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cnncc1[O-] ZINC001556776379 1415088359 /nfs/dbraw/zinc/08/83/59/1415088359.db2.gz CLECOBKOOISFRF-UHFFFAOYSA-N -1 1 349.272 2.639 10 0 EFAEMM O=C(Nc1cc(F)cc(F)c1[O-])c1csc(-c2ncccn2)n1 ZINC001557086671 1415104275 /nfs/dbraw/zinc/10/42/75/1415104275.db2.gz ZOWCRODVKZSXDB-UHFFFAOYSA-N -1 1 334.307 2.836 10 0 EFAEMM CSc1nc(CNC(=O)C=Cc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC001557232747 1415114767 /nfs/dbraw/zinc/11/47/67/1415114767.db2.gz ZVUIBCFRHYKLIM-DAXSKMNVSA-N -1 1 335.816 2.887 10 0 EFAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cnc2c(F)cccc2c1 ZINC001557408907 1415124372 /nfs/dbraw/zinc/12/43/72/1415124372.db2.gz BCWAGSSAFVOUOO-UHFFFAOYSA-N -1 1 330.344 2.719 10 0 EFAEMM NC(=O)c1ccc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)[nH]1 ZINC001557585965 1415132855 /nfs/dbraw/zinc/13/28/55/1415132855.db2.gz KSGVWMBMWMSYSP-UHFFFAOYSA-N -1 1 329.743 2.878 10 0 EFAEMM CCOCCN(C(=O)c1ccc([O-])cn1)[C@H]1CCc2ccccc21 ZINC001557938049 1415151911 /nfs/dbraw/zinc/15/19/11/1415151911.db2.gz ZAFQOPTTYLRDHG-SFHVURJKSA-N -1 1 326.396 2.953 10 0 EFAEMM COc1ccc(C(=O)N(Cc2nn[n-]n2)CC(C)C)c2ccccc12 ZINC001558162639 1415163184 /nfs/dbraw/zinc/16/31/84/1415163184.db2.gz NIRGGTQTYBHESV-UHFFFAOYSA-N -1 1 339.399 2.660 10 0 EFAEMM Cc1ccc2cc(Cl)cc(C(=O)NC3(c4nn[n-]n4)CCC3)c2n1 ZINC001558173914 1415163997 /nfs/dbraw/zinc/16/39/97/1415163997.db2.gz ZIVDETUXMMHLJA-UHFFFAOYSA-N -1 1 342.790 2.519 10 0 EFAEMM Cc1c2occ(CC(=O)NC3(c4nn[n-]n4)CCC3)c2ccc1Cl ZINC001558173649 1415164199 /nfs/dbraw/zinc/16/41/99/1415164199.db2.gz RXYRSERUTKQTEY-UHFFFAOYSA-N -1 1 345.790 2.646 10 0 EFAEMM O=C(NCCc1c(F)cc([O-])cc1F)c1ccnc2ccncc21 ZINC001558515305 1415184309 /nfs/dbraw/zinc/18/43/09/1415184309.db2.gz DTJFGDNRHCWWKB-UHFFFAOYSA-N -1 1 329.306 2.586 10 0 EFAEMM O=Cc1c[nH]c2ccc(C(=O)NCCc3c(F)cc([O-])cc3F)cc12 ZINC001558515564 1415184525 /nfs/dbraw/zinc/18/45/25/1415184525.db2.gz HEYBOCXPVYUYGN-UHFFFAOYSA-N -1 1 344.317 2.937 10 0 EFAEMM O=C(NCCc1c(F)cc([O-])cc1F)c1c(F)ccnc1Cl ZINC001558516346 1415185057 /nfs/dbraw/zinc/18/50/57/1415185057.db2.gz SCUJYCNJYOUOSV-UHFFFAOYSA-N -1 1 330.693 2.830 10 0 EFAEMM Cn1nc(C(=O)NCCc2c(F)cc([O-])cc2F)c2ccccc21 ZINC001558515900 1415185155 /nfs/dbraw/zinc/18/51/55/1415185155.db2.gz MAFXKJUWISQTOC-UHFFFAOYSA-N -1 1 331.322 2.530 10 0 EFAEMM O=C(Nc1ccc2cncn2c1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001558590493 1415191310 /nfs/dbraw/zinc/19/13/10/1415191310.db2.gz ONAVCFMYXXPGPQ-UHFFFAOYSA-N -1 1 337.314 2.617 10 0 EFAEMM C[C@H](Cc1cccnc1)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001558759641 1415199913 /nfs/dbraw/zinc/19/99/13/1415199913.db2.gz VYJKEQCUAKKOIY-LLVKDONJSA-N -1 1 325.343 2.836 10 0 EFAEMM CC(Cl)(Cl)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001558968706 1415214526 /nfs/dbraw/zinc/21/45/26/1415214526.db2.gz AHNDOKGMDZJZTR-UHFFFAOYSA-N -1 1 335.578 2.963 10 0 EFAEMM CC(Cl)(Cl)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001558968706 1415214531 /nfs/dbraw/zinc/21/45/31/1415214531.db2.gz AHNDOKGMDZJZTR-UHFFFAOYSA-N -1 1 335.578 2.963 10 0 EFAEMM COC(=O)c1oc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)cc1C ZINC001558919388 1415211056 /nfs/dbraw/zinc/21/10/56/1415211056.db2.gz MRGIOVFCJGHOBT-UHFFFAOYSA-N -1 1 344.302 2.551 10 0 EFAEMM CC(=O)c1ccc(OS(=O)(=O)c2c[n-]nc2Cl)cc1Cl ZINC001561950070 1415330791 /nfs/dbraw/zinc/33/07/91/1415330791.db2.gz DZYKRXGAJSVIMM-UHFFFAOYSA-N -1 1 335.168 2.687 10 0 EFAEMM O=C(C=CC=C(Cl)Cl)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001565779476 1415415562 /nfs/dbraw/zinc/41/55/62/1415415562.db2.gz BXUODZFHKVPYTI-IWQZZHSRSA-N -1 1 340.170 2.592 10 0 EFAEMM CCOC(=O)[C@H](NC(=O)c1cc(C)cc(C=O)c1[O-])c1ccccc1 ZINC001565992634 1415472462 /nfs/dbraw/zinc/47/24/62/1415472462.db2.gz GFHFXAJKKVYPJG-MRXNPFEDSA-N -1 1 341.363 2.547 10 0 EFAEMM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001566249078 1415536734 /nfs/dbraw/zinc/53/67/34/1415536734.db2.gz IYURSPBEQWYNFN-LLVKDONJSA-N -1 1 340.408 2.754 10 0 EFAEMM Cc1ccc(/C=C\C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cn1 ZINC001566853618 1415799649 /nfs/dbraw/zinc/79/96/49/1415799649.db2.gz OBBJNYQIYXJIGV-YVMONPNESA-N -1 1 349.387 2.553 10 0 EFAEMM C[C@@]1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CCc2ccccc2C1 ZINC000676190556 1429013801 /nfs/dbraw/zinc/01/38/01/1429013801.db2.gz QKOYXPBWMAZZRF-HXUWFJFHSA-N -1 1 347.422 2.924 10 0 EFAEMM Cc1ccc2nc([N-]C(=O)c3nnc(-c4ccco4)o3)sc2n1 ZINC001645901834 1416582694 /nfs/dbraw/zinc/58/26/94/1416582694.db2.gz RGNQNFRVCIFZNE-UHFFFAOYSA-N -1 1 327.325 2.895 10 0 EFAEMM CCO[C@@H](C(=O)Nc1ccc(Br)c([O-])c1)[C@H]1CCOC1 ZINC001646067155 1416607886 /nfs/dbraw/zinc/60/78/86/1416607886.db2.gz IZZMIGPBCGOVCB-TVQRCGJNSA-N -1 1 344.205 2.535 10 0 EFAEMM CCO[C@@H](C(=O)Nc1ccc(Br)c([O-])c1)[C@@H]1CCOC1 ZINC001646067153 1416608003 /nfs/dbraw/zinc/60/80/03/1416608003.db2.gz IZZMIGPBCGOVCB-NOZJJQNGSA-N -1 1 344.205 2.535 10 0 EFAEMM CCO[C@H](C(=O)Nc1ccc(Br)c([O-])c1)[C@@H]1CCOC1 ZINC001646067154 1416608107 /nfs/dbraw/zinc/60/81/07/1416608107.db2.gz IZZMIGPBCGOVCB-RNCFNFMXSA-N -1 1 344.205 2.535 10 0 EFAEMM CC(C)=CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001685427119 1416761235 /nfs/dbraw/zinc/76/12/35/1416761235.db2.gz QVEYUQTVAHBBIL-AWEZNQCLSA-N -1 1 345.443 2.500 10 0 EFAEMM O=C(NCCc1c(F)cc([O-])cc1F)NOCc1ccc(F)cc1 ZINC001687703694 1416862460 /nfs/dbraw/zinc/86/24/60/1416862460.db2.gz YSQWGSGIFNPZLM-UHFFFAOYSA-N -1 1 340.301 2.783 10 0 EFAEMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CCOC1CCCCC1 ZINC000111640436 1416863269 /nfs/dbraw/zinc/86/32/69/1416863269.db2.gz NUJBWIKKZNCEEI-UHFFFAOYSA-N -1 1 338.882 2.733 10 0 EFAEMM CCN(CCCNC(=O)C[C@H]1CCC[C@@H]1C)C(=O)c1ncccc1[O-] ZINC001687724175 1416867806 /nfs/dbraw/zinc/86/78/06/1416867806.db2.gz NWQDAAAIWCMPOF-LSDHHAIUSA-N -1 1 347.459 2.582 10 0 EFAEMM CCC(=CC(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)CC ZINC001688234417 1416933616 /nfs/dbraw/zinc/93/36/16/1416933616.db2.gz KIHYRQNAXNMXFG-OAHLLOKOSA-N -1 1 345.443 2.597 10 0 EFAEMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C1CCC=CCC1 ZINC001688462860 1416969795 /nfs/dbraw/zinc/96/97/95/1416969795.db2.gz KAEUFNZWAFWDAY-UHFFFAOYSA-N -1 1 345.443 2.502 10 0 EFAEMM C=C/C(C)=C\CC(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001704794392 1418146785 /nfs/dbraw/zinc/14/67/85/1418146785.db2.gz AKHAASPUAATBPC-OWTLUSIOSA-N -1 1 345.443 2.570 10 0 EFAEMM Nc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000232293479 1418276012 /nfs/dbraw/zinc/27/60/12/1418276012.db2.gz LJTXJQGFRAKOGG-UHFFFAOYSA-N -1 1 345.193 2.971 10 0 EFAEMM CCc1ccc2occ(C(=O)N[C@H](CCSC)c3nnn[n-]3)c2c1 ZINC000408517369 1429345806 /nfs/dbraw/zinc/34/58/06/1429345806.db2.gz DCAVVHBWHISUGT-CYBMUJFWSA-N -1 1 345.428 2.733 10 0 EFAEMM 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ZINC000155641959 1423911886 /nfs/dbraw/zinc/91/18/86/1423911886.db2.gz WYULTFNVGHWTOX-DZGCQCFKSA-N -1 1 347.850 2.999 10 0 EFAEMM C[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1nnn[n-]1 ZINC000044886265 1423932621 /nfs/dbraw/zinc/93/26/21/1423932621.db2.gz VMMZJOPCMMDULX-SECBINFHSA-N -1 1 325.825 2.603 10 0 EFAEMM CC(=Cc1ccccc1Cl)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000775545324 1424046139 /nfs/dbraw/zinc/04/61/39/1424046139.db2.gz NCBJEAUZQLQJBM-YGNAEDSMSA-N -1 1 331.807 2.663 10 0 EFAEMM CC1=C(C)C[C@](C)(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001721938130 1424078204 /nfs/dbraw/zinc/07/82/04/1424078204.db2.gz PDLXZLWZISYXIY-IFXJQAMLSA-N -1 1 345.443 2.548 10 0 EFAEMM C[C@H](CN(C)C(=O)c1ccc2c(c1)Cc1ccccc1-2)c1nnn[n-]1 ZINC000124524353 1424082229 /nfs/dbraw/zinc/08/22/29/1424082229.db2.gz HREMBIWECHMJPO-GFCCVEGCSA-N -1 1 333.395 2.647 10 0 EFAEMM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000120775683 1424136432 /nfs/dbraw/zinc/13/64/32/1424136432.db2.gz ULYNXYVFYFGVEB-HZPDHXFCSA-N -1 1 325.416 2.945 10 0 EFAEMM Cc1ccc(-c2nc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)cs2)cc1 ZINC000124381687 1424154895 /nfs/dbraw/zinc/15/48/95/1424154895.db2.gz RGLYLFSOMRFPSY-LLVKDONJSA-N -1 1 342.428 2.507 10 0 EFAEMM CCCN(C(=O)c1nn[n-]n1)[C@H](C)c1ccccc1Br ZINC000095040144 1424164847 /nfs/dbraw/zinc/16/48/47/1424164847.db2.gz QXKXSZZNZKVHFG-SECBINFHSA-N -1 1 338.209 2.576 10 0 EFAEMM O=C(Nc1cc(F)c(F)c(F)c1)c1cccc(Nc2nn[n-]n2)c1 ZINC001136937512 1424166731 /nfs/dbraw/zinc/16/67/31/1424166731.db2.gz LVMWXXJNPWMUBD-UHFFFAOYSA-N -1 1 334.261 2.613 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(OCC2CC2)cc1 ZINC000135571808 1424172183 /nfs/dbraw/zinc/17/21/83/1424172183.db2.gz LHMCRJKZBIOOAE-UHFFFAOYSA-N -1 1 349.394 2.832 10 0 EFAEMM COc1ccc(Cl)cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135555039 1424182388 /nfs/dbraw/zinc/18/23/88/1424182388.db2.gz DYRNWPQIVRIPHS-UHFFFAOYSA-N -1 1 343.774 2.705 10 0 EFAEMM CCCOc1ccc(Br)cc1CN[C@H](C)c1nnn[n-]1 ZINC000044925732 1424202573 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O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000126452820 1424485474 /nfs/dbraw/zinc/48/54/74/1424485474.db2.gz JKFOHMWTXOKVRY-UHFFFAOYSA-N -1 1 336.380 2.653 10 0 EFAEMM Cc1cccc2c(CC(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c[nH]c21 ZINC000120749106 1424522089 /nfs/dbraw/zinc/52/20/89/1424522089.db2.gz STJYPVYXNHFBST-UHFFFAOYSA-N -1 1 346.394 2.761 10 0 EFAEMM O=C(CO[C@@H]1CCCc2ccccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000280922465 1424541205 /nfs/dbraw/zinc/54/12/05/1424541205.db2.gz XNBJKQJKHCQVJC-QGZVFWFLSA-N -1 1 349.394 2.899 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(-n2cccc2)c1 ZINC000120701384 1424707489 /nfs/dbraw/zinc/70/74/89/1424707489.db2.gz CDELUHPOLOKSLX-UHFFFAOYSA-N -1 1 344.378 2.834 10 0 EFAEMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000130290974 1424745502 /nfs/dbraw/zinc/74/55/02/1424745502.db2.gz ZOBBTPRZQASJOQ-ZIAGYGMSSA-N -1 1 339.424 2.903 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(F)cc2cccnc21 ZINC000156218205 1424828649 /nfs/dbraw/zinc/82/86/49/1424828649.db2.gz XWKXNKDXHGLLEG-UHFFFAOYSA-N -1 1 348.341 2.730 10 0 EFAEMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)Cc1ccccc1-2)c1nnn[n-]1 ZINC000124524115 1424828729 /nfs/dbraw/zinc/82/87/29/1424828729.db2.gz HREMBIWECHMJPO-LBPRGKRZSA-N -1 1 333.395 2.647 10 0 EFAEMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC000900735327 1425562161 /nfs/dbraw/zinc/56/21/61/1425562161.db2.gz BLSGHJFSMWBIPT-JMSVASOKSA-N -1 1 326.404 2.737 10 0 EFAEMM O=C(c1cccc(Nc2nn[n-]n2)c1)N1CCCC2(CCCC2)C1 ZINC000907612985 1425932693 /nfs/dbraw/zinc/93/26/93/1425932693.db2.gz KNXURYDEDLTIBW-UHFFFAOYSA-N -1 1 326.404 2.740 10 0 EFAEMM CCCC[C@@H](CNC(=O)[C@]1(C)C=CCC1)NC(=O)c1ncccc1[O-] ZINC001726072326 1426059801 /nfs/dbraw/zinc/05/98/01/1426059801.db2.gz XKIIPNIXHNPHGZ-IFXJQAMLSA-N -1 1 345.443 2.548 10 0 EFAEMM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000348630053 1426137358 /nfs/dbraw/zinc/13/73/58/1426137358.db2.gz MFZGDHRAGYAOBH-NXEZZACHSA-N -1 1 325.294 2.784 10 0 EFAEMM 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O=C(Nc1c([O-])cccc1F)c1cccn(CC(F)(F)F)c1=O ZINC001632378388 1100470580 /nfs/dbraw/zinc/47/05/80/1100470580.db2.gz WMGDQGYLNJWABI-UHFFFAOYSA-N -1 1 330.237 2.508 10 0 EFAEMM COc1ccccc1[C@H](C)N(OC)C(=O)C(=O)c1ccc([O-])cc1 ZINC001632413354 1100473360 /nfs/dbraw/zinc/47/33/60/1100473360.db2.gz RGUBKKNEYVLHGW-LBPRGKRZSA-N -1 1 329.352 2.735 10 0 EFAEMM COc1ccccc1[C@@H](C)N(OC)C(=O)C(=O)c1ccc([O-])cc1 ZINC001632413353 1100473401 /nfs/dbraw/zinc/47/34/01/1100473401.db2.gz RGUBKKNEYVLHGW-GFCCVEGCSA-N -1 1 329.352 2.735 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCCC[C@@H]2c2ncon2)c1 ZINC001632520417 1100480707 /nfs/dbraw/zinc/48/07/07/1100480707.db2.gz DZCQMFQWVKSQMM-CQSZACIVSA-N -1 1 329.356 2.654 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CCCO)c2)c1 ZINC001632660201 1100491011 /nfs/dbraw/zinc/49/10/11/1100491011.db2.gz GGDQBGCKSHHCMD-UHFFFAOYSA-N -1 1 340.379 2.694 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NCCc2ccc(F)c(F)c2F)c1 ZINC001632662528 1100491953 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O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@@H]1C[C@H]1C1CCCC1 ZINC001362194392 1336547859 /nfs/dbraw/zinc/54/78/59/1336547859.db2.gz BJDRYXNSYDDTPD-LSDHHAIUSA-N -1 1 327.388 2.544 10 0 EFAEMM Cc1cnc(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)c([O-])c1 ZINC001362202948 1336551920 /nfs/dbraw/zinc/55/19/20/1336551920.db2.gz SARIRGPTYZRURO-HNNXBMFYSA-N -1 1 343.402 2.942 10 0 EFAEMM COCCN(C(=O)c1ccc(F)c([O-])c1)c1ccc(OC)c(OC)c1 ZINC001362222705 1336560249 /nfs/dbraw/zinc/56/02/49/1336560249.db2.gz DPBKZTYKRATGHT-UHFFFAOYSA-N -1 1 349.358 2.842 10 0 EFAEMM Cc1ccc(CNC(=O)c2cnncc2[O-])c(OCCC(C)C)c1 ZINC001362224888 1336561549 /nfs/dbraw/zinc/56/15/49/1336561549.db2.gz XRRVLNPMFHBKLN-UHFFFAOYSA-N -1 1 329.400 2.846 10 0 EFAEMM CC(C)(NC(=O)c1cnncc1[O-])c1ccccc1Br ZINC001362257341 1336576224 /nfs/dbraw/zinc/57/62/24/1336576224.db2.gz UUZWHCWKEFUZPX-UHFFFAOYSA-N -1 1 336.189 2.610 10 0 EFAEMM Cc1cnc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c([O-])c1 ZINC001362259456 1336576773 /nfs/dbraw/zinc/57/67/73/1336576773.db2.gz GTTFPEANCPLYGQ-CYBMUJFWSA-N -1 1 331.803 2.758 10 0 EFAEMM Cc1cnc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c([O-])c1 ZINC001362259457 1336576779 /nfs/dbraw/zinc/57/67/79/1336576779.db2.gz GTTFPEANCPLYGQ-ZDUSSCGKSA-N -1 1 331.803 2.758 10 0 EFAEMM COC(=O)[C@@H](CNC(=O)c1cccc([O-])c1F)Cc1cccc(C)c1 ZINC001362262452 1336578786 /nfs/dbraw/zinc/57/87/86/1336578786.db2.gz YPPOOKGGZISYQF-CQSZACIVSA-N -1 1 345.370 2.601 10 0 EFAEMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC001362267961 1336580554 /nfs/dbraw/zinc/58/05/54/1336580554.db2.gz LOIOYHDWTJNHJS-ZDUSSCGKSA-N -1 1 344.798 2.830 10 0 EFAEMM O=C(c1ccc([O-])cn1)N1CCC(OCc2ccccc2F)CC1 ZINC001362289064 1336589400 /nfs/dbraw/zinc/58/94/00/1336589400.db2.gz REVDXIZHFRYHKC-UHFFFAOYSA-N -1 1 330.359 2.748 10 0 EFAEMM CSc1ncc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)c(=O)[n-]1 ZINC001362308025 1336590972 /nfs/dbraw/zinc/59/09/72/1336590972.db2.gz SQKVHFJMIFZSHY-NSHDSACASA-N -1 1 344.440 2.637 10 0 EFAEMM O=C(c1cnncc1[O-])N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001362395569 1336592878 /nfs/dbraw/zinc/59/28/78/1336592878.db2.gz IKZPLZCYDXTTTJ-UHFFFAOYSA-N -1 1 331.322 2.780 10 0 EFAEMM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2s[n-]c(=O)c2Cl)n[nH]1 ZINC001362424253 1336604771 /nfs/dbraw/zinc/60/47/71/1336604771.db2.gz KYOKOKQPYZNNSK-NTSWFWBYSA-N -1 1 329.813 2.625 10 0 EFAEMM C[C@](O)(C1CCN(C(=O)c2ccc(F)c([O-])c2)CC1)C(F)(F)F ZINC001362445287 1336613714 /nfs/dbraw/zinc/61/37/14/1336613714.db2.gz LYJKNVKLBJLTLW-AWEZNQCLSA-N -1 1 335.297 2.697 10 0 EFAEMM O=C(c1cccc([O-])c1F)N1CCC(CO)(Cc2ccccc2)CC1 ZINC001362452265 1336616129 /nfs/dbraw/zinc/61/61/29/1336616129.db2.gz OQZJPVJUVWQRIJ-UHFFFAOYSA-N -1 1 343.398 2.989 10 0 EFAEMM CN(C(=O)c1ccc([O-])cn1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001362465301 1336622140 /nfs/dbraw/zinc/62/21/40/1336622140.db2.gz PBFUBRAYXNEOTN-RHSMWYFYSA-N -1 1 330.359 2.919 10 0 EFAEMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H]2COCC[C@H]21 ZINC001362466709 1336622858 /nfs/dbraw/zinc/62/28/58/1336622858.db2.gz PPBRWKUFUWAYAC-ZWNOBZJWSA-N -1 1 340.217 2.796 10 0 EFAEMM CC(C)OC(=O)[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(C)C ZINC001362474626 1336625594 /nfs/dbraw/zinc/62/55/94/1336625594.db2.gz KGCUHXLKXTUTRQ-HNNXBMFYSA-N -1 1 348.374 2.786 10 0 EFAEMM Cc1cnc(C(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)c([O-])c1 ZINC001362482753 1336627627 /nfs/dbraw/zinc/62/76/27/1336627627.db2.gz VFXMXIMKFJFVCG-MRXNPFEDSA-N -1 1 328.412 2.857 10 0 EFAEMM CSc1ncc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)c(=O)[n-]1 ZINC001362487994 1336629845 /nfs/dbraw/zinc/62/98/45/1336629845.db2.gz FXZWMRUFFFFDGD-SECBINFHSA-N -1 1 331.397 2.764 10 0 EFAEMM O=C(c1cccc([O-])c1F)N1CCC[C@H](Oc2ncccc2F)C1 ZINC001362494157 1336632948 /nfs/dbraw/zinc/63/29/48/1336632948.db2.gz MJKUIGWQDWUSTM-NSHDSACASA-N -1 1 334.322 2.749 10 0 EFAEMM CCC(CC)(CNC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)OC ZINC001362547026 1336652658 /nfs/dbraw/zinc/65/26/58/1336652658.db2.gz ZKRXDLQVNCWMOS-UHFFFAOYSA-N -1 1 348.374 2.789 10 0 EFAEMM O=C(NCc1ccccc1CO)c1ccc(C(F)(F)F)c([O-])c1 ZINC001362557437 1336656550 /nfs/dbraw/zinc/65/65/50/1336656550.db2.gz JBYGXEGZLQJFEV-UHFFFAOYSA-N -1 1 325.286 2.833 10 0 EFAEMM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001362616864 1336675437 /nfs/dbraw/zinc/67/54/37/1336675437.db2.gz IEJONMDLKLANHT-SECBINFHSA-N -1 1 346.349 2.786 10 0 EFAEMM CCOC(=O)c1c[n-]c(NC(=O)Cc2nc(C3CCCC3)cs2)n1 ZINC001362679120 1336702835 /nfs/dbraw/zinc/70/28/35/1336702835.db2.gz PHYLANNROAXZAI-UHFFFAOYSA-N -1 1 348.428 2.882 10 0 EFAEMM CN(C(=O)[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1)c1ccccc1 ZINC001362746618 1336726617 /nfs/dbraw/zinc/72/66/17/1336726617.db2.gz CDCFBAZCIPJPBC-CQSZACIVSA-N -1 1 342.370 2.656 10 0 EFAEMM Cc1ccc(NC(=O)c2ccc([O-])cn2)cc1C(=O)N(C)C(C)C ZINC001362762221 1336732481 /nfs/dbraw/zinc/73/24/81/1336732481.db2.gz AFJLGYLEPHEUJN-UHFFFAOYSA-N -1 1 327.384 2.828 10 0 EFAEMM CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001362786223 1336741143 /nfs/dbraw/zinc/74/11/43/1336741143.db2.gz CXBJLHXGSKYWTG-CYBMUJFWSA-N -1 1 338.379 2.564 10 0 EFAEMM CSc1ncc(C(=O)N(Cc2ccc(C)nc2)CC2CC2)c(=O)[n-]1 ZINC001362827892 1336756182 /nfs/dbraw/zinc/75/61/82/1336756182.db2.gz QLVUNHRMBLTQOK-UHFFFAOYSA-N -1 1 344.440 2.660 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(OC2CCCC2)cc1 ZINC001362833603 1336756639 /nfs/dbraw/zinc/75/66/39/1336756639.db2.gz WHQGPENAUWCCMI-UHFFFAOYSA-N -1 1 343.431 2.820 10 0 EFAEMM O=C(Nc1cccc(Cl)c1OCC(F)F)c1cnncc1[O-] ZINC001362962181 1336762932 /nfs/dbraw/zinc/76/29/32/1336762932.db2.gz HENQXHFTMHUAQG-UHFFFAOYSA-N -1 1 329.690 2.732 10 0 EFAEMM Cc1cnc(C(=O)N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)c([O-])c1 ZINC001363092807 1336779849 /nfs/dbraw/zinc/77/98/49/1336779849.db2.gz OQZMOQRANCNVQM-KUHUBIRLSA-N -1 1 340.379 2.508 10 0 EFAEMM COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001363122965 1336792813 /nfs/dbraw/zinc/79/28/13/1336792813.db2.gz ONFNGSBYZJTWOV-CYBMUJFWSA-N -1 1 330.384 2.648 10 0 EFAEMM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001363124571 1336793783 /nfs/dbraw/zinc/79/37/83/1336793783.db2.gz XTLVYSLMOLQDPP-NHYWBVRUSA-N -1 1 332.787 2.891 10 0 EFAEMM CCC(CC)(NC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)c1nn[n-]n1 ZINC001363136499 1336800384 /nfs/dbraw/zinc/80/03/84/1336800384.db2.gz OTGQDBZRXPJCPA-ZFWWWQNUSA-N -1 1 343.431 2.534 10 0 EFAEMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001363149147 1336805797 /nfs/dbraw/zinc/80/57/97/1336805797.db2.gz AKHPULCQLPWMFI-GVXVVHGQSA-N -1 1 346.349 2.516 10 0 EFAEMM CCCOc1ccccc1C(=O)CNC(=O)c1ccc(F)c([O-])c1 ZINC001363184277 1336821544 /nfs/dbraw/zinc/82/15/44/1336821544.db2.gz GCYOFULPCCDOPE-UHFFFAOYSA-N -1 1 331.343 2.933 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC001363277256 1336854965 /nfs/dbraw/zinc/85/49/65/1336854965.db2.gz SQUCXHSLHRAIOC-INIZCTEOSA-N -1 1 345.447 2.741 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H](C)CSCc1ccccc1 ZINC001363278049 1336855889 /nfs/dbraw/zinc/85/58/89/1336855889.db2.gz YCQBSFUEKCWNEJ-CQSZACIVSA-N -1 1 347.488 2.754 10 0 EFAEMM Cc1nccnc1[C@@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC001363332281 1336879029 /nfs/dbraw/zinc/87/90/29/1336879029.db2.gz FGNATYBFLHBELW-SECBINFHSA-N -1 1 336.189 2.744 10 0 EFAEMM O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)c1ccc([O-])cn1 ZINC001363297631 1336862855 /nfs/dbraw/zinc/86/28/55/1336862855.db2.gz IPVSAOJAQODLJP-VHDGCEQUSA-N -1 1 345.196 2.618 10 0 EFAEMM O=C(N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)c1ccc([O-])cn1 ZINC001363297626 1336863080 /nfs/dbraw/zinc/86/30/80/1336863080.db2.gz IPVSAOJAQODLJP-NWANDNLSSA-N -1 1 345.196 2.618 10 0 EFAEMM CCC[C@H](C(=O)N1CCC[C@@H]1c1nn[n-]c1C(=O)OCC)C(C)C ZINC001363351240 1336887928 /nfs/dbraw/zinc/88/79/28/1336887928.db2.gz SODRKDLFOBOPAA-QWHCGFSZSA-N -1 1 336.436 2.717 10 0 EFAEMM CCC[C@H](C(=O)N1CCC[C@@H]1c1[n-]nnc1C(=O)OCC)C(C)C ZINC001363351240 1336887931 /nfs/dbraw/zinc/88/79/31/1336887931.db2.gz SODRKDLFOBOPAA-QWHCGFSZSA-N -1 1 336.436 2.717 10 0 EFAEMM CCC[C@H](C(=O)N1CCC[C@@H]1c1n[n-]nc1C(=O)OCC)C(C)C ZINC001363351240 1336887933 /nfs/dbraw/zinc/88/79/33/1336887933.db2.gz SODRKDLFOBOPAA-QWHCGFSZSA-N -1 1 336.436 2.717 10 0 EFAEMM CSc1ncc(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c(=O)[n-]1 ZINC001363493299 1336901861 /nfs/dbraw/zinc/90/18/61/1336901861.db2.gz TWYIXRRRNINEJT-ZDUSSCGKSA-N -1 1 342.424 2.667 10 0 EFAEMM CN(C)c1ccc([S@](C)(=O)=NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001363502123 1336905769 /nfs/dbraw/zinc/90/57/69/1336905769.db2.gz DSLHDCPEPGJFKE-QHCPKHFHSA-N -1 1 336.388 2.894 10 0 EFAEMM CN(C)c1ccc([S@@](C)(=O)=NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001363502121 1336906214 /nfs/dbraw/zinc/90/62/14/1336906214.db2.gz DSLHDCPEPGJFKE-HSZRJFAPSA-N -1 1 336.388 2.894 10 0 EFAEMM O=C(NCc1cc(Br)ccc1Cl)c1cnncc1[O-] ZINC001363513436 1336912214 /nfs/dbraw/zinc/91/22/14/1336912214.db2.gz KBLIWCDNJSOQBQ-UHFFFAOYSA-N -1 1 342.580 2.528 10 0 EFAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1ccc(C(F)(F)F)cc1Cl ZINC001363554480 1336928994 /nfs/dbraw/zinc/92/89/94/1336928994.db2.gz WVBPDIRZQQTOCU-UHFFFAOYSA-N -1 1 345.712 2.681 10 0 EFAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1C ZINC001363561529 1336931587 /nfs/dbraw/zinc/93/15/87/1336931587.db2.gz SVNPQRYHIQYALI-CQSZACIVSA-N -1 1 342.399 2.576 10 0 EFAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)c1ccc(C)cc1C ZINC001363561529 1336931589 /nfs/dbraw/zinc/93/15/89/1336931589.db2.gz SVNPQRYHIQYALI-CQSZACIVSA-N -1 1 342.399 2.576 10 0 EFAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)c1ccc(C)cc1C ZINC001363561529 1336931592 /nfs/dbraw/zinc/93/15/92/1336931592.db2.gz SVNPQRYHIQYALI-CQSZACIVSA-N -1 1 342.399 2.576 10 0 EFAEMM C[S@@](=O)(=NC(=O)c1nc[n-]c1C(F)(F)F)c1ccc(F)cc1 ZINC001363628628 1336961844 /nfs/dbraw/zinc/96/18/44/1336961844.db2.gz VQUSUQYZAVQUSW-QFIPXVFZSA-N -1 1 335.282 2.865 10 0 EFAEMM O=C(NC1([C@H]2CCCCO2)CC1)c1ccc(Br)cc1[O-] ZINC001363629491 1336962124 /nfs/dbraw/zinc/96/21/24/1336962124.db2.gz NNTZEPMLZZCWCC-CYBMUJFWSA-N -1 1 340.217 2.986 10 0 EFAEMM C[C@@H](CNC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)OC(C)(C)C ZINC001363636212 1336965670 /nfs/dbraw/zinc/96/56/70/1336965670.db2.gz YFOUZDMAJDLEQS-JTQLQIEISA-N -1 1 348.374 2.787 10 0 EFAEMM COc1cnc(C2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CCCC2)[n-]c1=O ZINC001363644230 1336969839 /nfs/dbraw/zinc/96/98/39/1336969839.db2.gz BPPYZTDFKANKPI-QWHCGFSZSA-N -1 1 331.416 2.513 10 0 EFAEMM Cc1ccc(CCCC(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)cc1 ZINC001363655477 1336975131 /nfs/dbraw/zinc/97/51/31/1336975131.db2.gz PQEZEZGGAMDFHU-UHFFFAOYSA-N -1 1 343.427 2.528 10 0 EFAEMM COC1(C(F)(F)F)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC001363669837 1336984795 /nfs/dbraw/zinc/98/47/95/1336984795.db2.gz ALMCAEQNHMUDGZ-UHFFFAOYSA-N -1 1 325.286 2.949 10 0 EFAEMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)Cc2cncnc21 ZINC001363719529 1337010034 /nfs/dbraw/zinc/01/00/34/1337010034.db2.gz AXELWYCZJAMXSQ-VIFPVBQESA-N -1 1 337.301 2.961 10 0 EFAEMM Cc1ccc(CN2CC[C@H](NC(=O)c3c([O-])cc(F)cc3F)C2)cc1 ZINC001363722059 1337010291 /nfs/dbraw/zinc/01/02/91/1337010291.db2.gz PQTWJPCXYURAKK-HNNXBMFYSA-N -1 1 346.377 2.983 10 0 EFAEMM 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CCC[C@@](C)(CC)C(=O)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC001380279977 1347566691 /nfs/dbraw/zinc/56/66/91/1347566691.db2.gz GGOMQYVPZIIUGO-SVGDTCPJSA-N -1 1 347.459 2.628 10 0 EFAEMM CC(C)C[C@H](C)C(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001381578225 1348374208 /nfs/dbraw/zinc/37/42/08/1348374208.db2.gz NDNRJEXXJOVQLD-AWEZNQCLSA-N -1 1 347.459 2.532 10 0 EFAEMM CCCC[C@H](CC)C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001381898505 1348596454 /nfs/dbraw/zinc/59/64/54/1348596454.db2.gz ZKAXTFQBZHQDOU-KGLIPLIRSA-N -1 1 335.448 2.580 10 0 EFAEMM CCCC[C@@H](CC)C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001381898516 1348596699 /nfs/dbraw/zinc/59/66/99/1348596699.db2.gz ZKAXTFQBZHQDOU-ZIAGYGMSSA-N -1 1 335.448 2.580 10 0 EFAEMM CCCC[C@H](C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-])C(C)C ZINC001382032548 1348674087 /nfs/dbraw/zinc/67/40/87/1348674087.db2.gz UXABDWULTNVFHI-GJZGRUSLSA-N -1 1 349.475 2.826 10 0 EFAEMM CCC1(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ncccc2[O-])CCCCC1 ZINC001382775015 1349143495 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EFAEMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)CC1(C)CCCC1 ZINC001384600841 1350233895 /nfs/dbraw/zinc/23/38/95/1350233895.db2.gz GCRZJXVNMCOPNW-CQSZACIVSA-N -1 1 347.459 2.724 10 0 EFAEMM CC[C@@H]1[C@@H](NC(=O)[C@H](C)C(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC001385039181 1350529217 /nfs/dbraw/zinc/52/92/17/1350529217.db2.gz ZJQDYPMIVUNNPT-MELADBBJSA-N -1 1 347.459 2.579 10 0 EFAEMM CCCC[C@H](CC)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001385066218 1350549303 /nfs/dbraw/zinc/54/93/03/1350549303.db2.gz SEODFFACMPMIIQ-ILXRZTDVSA-N -1 1 347.459 2.723 10 0 EFAEMM CC[C@@H](CC(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001388430206 1352696653 /nfs/dbraw/zinc/69/66/53/1352696653.db2.gz AMUOJRRVVSXMPF-KBPBESRZSA-N -1 1 349.475 2.732 10 0 EFAEMM CC(C)C[C@@H](CNC(=O)C[C@H](C)C(C)C)NC(=O)c1ncccc1[O-] ZINC001391390556 1355159946 /nfs/dbraw/zinc/15/99/46/1355159946.db2.gz GITVVNCLSKSIDW-GJZGRUSLSA-N -1 1 349.475 2.730 10 0 EFAEMM COc1cccc(SC)c1[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC001436844399 1387332854 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EFAEMM CCN(C(=O)CCCC(C)C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001396300420 1359195076 /nfs/dbraw/zinc/19/50/76/1359195076.db2.gz JEBIOOXVIGSSDH-CQSZACIVSA-N -1 1 335.448 2.580 10 0 EFAEMM CCC[C@@](C)(CC)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001397074032 1359652174 /nfs/dbraw/zinc/65/21/74/1359652174.db2.gz XBEXLRMHBUPRKV-IFXJQAMLSA-N -1 1 347.459 2.628 10 0 EFAEMM CCC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001400650416 1362070387 /nfs/dbraw/zinc/07/03/87/1362070387.db2.gz SJHCHRITMJUPHA-DZGCQCFKSA-N -1 1 346.475 2.576 10 0 EFAEMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC001404203149 1365347942 /nfs/dbraw/zinc/34/79/42/1365347942.db2.gz REKHOTYQHAHNFC-CHWSQXEVSA-N -1 1 347.459 2.627 10 0 EFAEMM CCC(CC)CC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001404693785 1365771306 /nfs/dbraw/zinc/77/13/06/1365771306.db2.gz AOZFSNIDKCJVFE-OAHLLOKOSA-N -1 1 347.459 2.580 10 0 EFAEMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)CCC(C)(C)C ZINC001492937274 1365896144 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2.502 10 0 EFAEMM CC[C@H](C)CC(=O)N1CCC([C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001405775355 1366405047 /nfs/dbraw/zinc/40/50/47/1366405047.db2.gz FLXBYOPNVHNAQC-UONOGXRCSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCC[C@@H](CC)C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001406455286 1367608013 /nfs/dbraw/zinc/60/80/13/1367608013.db2.gz ROZAVRUFQQXQLA-HUUCEWRRSA-N -1 1 347.459 2.677 10 0 EFAEMM CCC[C@H](CC)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001406634950 1367838895 /nfs/dbraw/zinc/83/88/95/1367838895.db2.gz SPLQWTPYWUGTSK-SOUVJXGZSA-N -1 1 347.459 2.628 10 0 EFAEMM CCC[C@@H](CC)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001406634945 1367838930 /nfs/dbraw/zinc/83/89/30/1367838930.db2.gz SPLQWTPYWUGTSK-RRFJBIMHSA-N -1 1 347.459 2.628 10 0 EFAEMM CCC[C@H](CC)C(=O)NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001407944232 1369440192 /nfs/dbraw/zinc/44/01/92/1369440192.db2.gz RHCIBRGMZIPAGW-CABCVRRESA-N -1 1 347.459 2.582 10 0 EFAEMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)CC(C)(C)C 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CCOC(=O)c1nc(NC(=O)CCc2csc(C)n2)[n-]c1Cl ZINC001462922523 1396462246 /nfs/dbraw/zinc/46/22/46/1396462246.db2.gz XBEIDXWQQXMASX-UHFFFAOYSA-N -1 1 342.808 2.576 10 0 EFAEMM COc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[n-]2)c(OC)c1 ZINC001463575806 1396503869 /nfs/dbraw/zinc/50/38/69/1396503869.db2.gz KYDMLYCJYJOMIM-UHFFFAOYSA-N -1 1 347.371 2.635 10 0 EFAEMM COc1cccc2c1CCN(C(=O)c1cc(C)cc(C=O)c1[O-])C2 ZINC001546141638 1396519679 /nfs/dbraw/zinc/51/96/79/1396519679.db2.gz ODMVQOSHTRPFFU-UHFFFAOYSA-N -1 1 325.364 2.720 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NCCCOc2ccccc2F)c1 ZINC001463815991 1396522901 /nfs/dbraw/zinc/52/29/01/1396522901.db2.gz FMXDYWJICURVRU-UHFFFAOYSA-N -1 1 331.343 2.851 10 0 EFAEMM C[C@H](NC(=O)c1ccc([O-])cn1)c1ccc(NC(=O)C2CC2)cc1 ZINC001464073257 1396543846 /nfs/dbraw/zinc/54/38/46/1396543846.db2.gz YRNWCEJGAGXHLG-NSHDSACASA-N -1 1 325.368 2.627 10 0 EFAEMM O=Cc1ccc(OCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC001464076596 1396544583 /nfs/dbraw/zinc/54/45/83/1396544583.db2.gz NEGFURSWODSJDZ-UHFFFAOYSA-N -1 1 337.335 2.612 10 0 EFAEMM O=C([N-]c1ncc(Br)s1)c1nnc(-c2ccco2)o1 ZINC001464371361 1396569302 /nfs/dbraw/zinc/56/93/02/1396569302.db2.gz JXLUNVDDUCZVQK-UHFFFAOYSA-N -1 1 341.146 2.801 10 0 EFAEMM CCN(Cc1c(F)cccc1F)C(=O)c1cnc(SC)[n-]c1=O ZINC001464681043 1396595602 /nfs/dbraw/zinc/59/56/02/1396595602.db2.gz DSFXUESNAFIWNE-UHFFFAOYSA-N -1 1 339.367 2.845 10 0 EFAEMM O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(F)c([O-])c1 ZINC001464839022 1396617085 /nfs/dbraw/zinc/61/70/85/1396617085.db2.gz SWGIVFFQMQQVHB-UHFFFAOYSA-N -1 1 342.370 2.584 10 0 EFAEMM O=C(CC1CCCC1)N1CCCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001464931419 1396632903 /nfs/dbraw/zinc/63/29/03/1396632903.db2.gz ULQLHUDBYIGLBW-UHFFFAOYSA-N -1 1 348.418 2.786 10 0 EFAEMM O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnncc1[O-] ZINC001464960129 1396635040 /nfs/dbraw/zinc/63/50/40/1396635040.db2.gz YQJPYPGXPDUOSZ-UHFFFAOYSA-N -1 1 331.335 2.978 10 0 EFAEMM COC(=O)[C@@H](CNC(=O)c1ccc(F)c([O-])c1)Cc1cccc(C)c1 ZINC001464977491 1396636947 /nfs/dbraw/zinc/63/69/47/1396636947.db2.gz CGYVXVJEEYSVDH-OAHLLOKOSA-N -1 1 345.370 2.601 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC001465758426 1396709122 /nfs/dbraw/zinc/70/91/22/1396709122.db2.gz MKYPLIBFSYXMSG-AWEZNQCLSA-N -1 1 335.400 2.609 10 0 EFAEMM O=C(NC[C@@H](O)c1ccccc1F)c1ncc2ccccc2c1[O-] ZINC001465775733 1396709765 /nfs/dbraw/zinc/70/97/65/1396709765.db2.gz LFTSATKSGOZVLC-OAHLLOKOSA-N -1 1 326.327 2.543 10 0 EFAEMM CCOCCOc1cc(C)ccc1CNC(=O)c1ncc(C)cc1[O-] ZINC001465834095 1396715533 /nfs/dbraw/zinc/71/55/33/1396715533.db2.gz CLVNBOXTJPNTSS-UHFFFAOYSA-N -1 1 344.411 2.749 10 0 EFAEMM Cc1cn2nnc(C(=O)[N-]c3ccccc3SC(C)C)c2c(=O)[nH]1 ZINC001466052688 1396734579 /nfs/dbraw/zinc/73/45/79/1396734579.db2.gz XSHFNNKCCBCMMG-UHFFFAOYSA-N -1 1 343.412 2.891 10 0 EFAEMM C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC001466099010 1396738608 /nfs/dbraw/zinc/73/86/08/1396738608.db2.gz MFCBTOYKYZQMCR-WBVHZDCISA-N -1 1 332.350 2.846 10 0 EFAEMM Cc1cnccc1/C=C\C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC001546154827 1396741858 /nfs/dbraw/zinc/74/18/58/1396741858.db2.gz PAWHMIHZIJLDMB-UTCJRWHESA-N -1 1 349.387 2.553 10 0 EFAEMM CC(C)[C@H](O)C(C)(C)CNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001466623998 1396766596 /nfs/dbraw/zinc/76/65/96/1396766596.db2.gz NMADGTYACMIFNK-INIZCTEOSA-N -1 1 334.391 2.852 10 0 EFAEMM O=C(Nc1nc(C2CCC2)n[nH]1)c1c([O-])cnc2c(F)cccc21 ZINC001466692902 1396773877 /nfs/dbraw/zinc/77/38/77/1396773877.db2.gz NLOMCLQEABLHMG-UHFFFAOYSA-N -1 1 327.319 2.717 10 0 EFAEMM O=C(N[C@@H](CCO)c1ccco1)c1c([O-])cnc2c(F)cccc21 ZINC001467361576 1396847120 /nfs/dbraw/zinc/84/71/20/1396847120.db2.gz HMFCBKXROLBZNX-LBPRGKRZSA-N -1 1 330.315 2.526 10 0 EFAEMM COCCO[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001467441576 1396856748 /nfs/dbraw/zinc/85/67/48/1396856748.db2.gz GPMCNFAYSWQEGP-GFCCVEGCSA-N -1 1 347.333 2.679 10 0 EFAEMM COc1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)ccc1Cl ZINC001467589147 1396874170 /nfs/dbraw/zinc/87/41/70/1396874170.db2.gz SLHCBQIWZSQCMC-UHFFFAOYSA-N -1 1 334.788 2.932 10 0 EFAEMM O=C(c1ccc([O-])cn1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC001467677837 1396883750 /nfs/dbraw/zinc/88/37/50/1396883750.db2.gz IMNAVPCEYSVYDK-UHFFFAOYSA-N -1 1 347.802 2.767 10 0 EFAEMM Cc1nonc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC001467843587 1396903048 /nfs/dbraw/zinc/90/30/48/1396903048.db2.gz DQFWNEHSIFWRCG-UHFFFAOYSA-N -1 1 332.541 2.752 10 0 EFAEMM COCCCO[N-]C(=O)[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001467832351 1396902292 /nfs/dbraw/zinc/90/22/92/1396902292.db2.gz NGPXFCBIOQPRGC-QGZVFWFLSA-N -1 1 346.468 2.648 10 0 EFAEMM O=C(Cc1ccnc(F)c1)Nc1cccc([O-])c1Br ZINC001468251760 1396939224 /nfs/dbraw/zinc/93/92/24/1396939224.db2.gz AATFVJAFLDINPH-UHFFFAOYSA-N -1 1 325.137 2.870 10 0 EFAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC001468677898 1396978629 /nfs/dbraw/zinc/97/86/29/1396978629.db2.gz KTGTYNGHWSCMNG-UHFFFAOYSA-N -1 1 349.412 2.662 10 0 EFAEMM O=C(NCc1noc2c1CCCC2)c1c([O-])cnc2c(F)cccc21 ZINC001468691720 1396980463 /nfs/dbraw/zinc/98/04/63/1396980463.db2.gz BGJQUOXSZWFOQY-UHFFFAOYSA-N -1 1 341.342 2.876 10 0 EFAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCc2cccc(Cl)c2C1 ZINC001468857059 1396987243 /nfs/dbraw/zinc/98/72/43/1396987243.db2.gz FDPCYMGFRHVLJD-UHFFFAOYSA-N -1 1 344.827 2.870 10 0 EFAEMM CCCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC001469426298 1397031147 /nfs/dbraw/zinc/03/11/47/1397031147.db2.gz SDWWMTOLZAQGEL-UHFFFAOYSA-N -1 1 348.424 2.867 10 0 EFAEMM COc1ccc(C(C)=CC(=O)NCc2cc(=O)[n-]c(SC)n2)cc1 ZINC001469513044 1397033964 /nfs/dbraw/zinc/03/39/64/1397033964.db2.gz CEKKOGUMIYLPRI-DHZHZOJOSA-N -1 1 345.424 2.632 10 0 EFAEMM Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC001469760170 1397053899 /nfs/dbraw/zinc/05/38/99/1397053899.db2.gz MTXALEJOOXCFHD-HNNXBMFYSA-N -1 1 339.370 2.979 10 0 EFAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@H]1c1ccc(F)cc1 ZINC001469937896 1397060139 /nfs/dbraw/zinc/06/01/39/1397060139.db2.gz SPDCKQZPYVVTIR-ZDUSSCGKSA-N -1 1 328.372 2.744 10 0 EFAEMM CSc1ncc(C(=O)N[C@H](c2ccccn2)C2CCC2)c(=O)[n-]1 ZINC001470246765 1397081377 /nfs/dbraw/zinc/08/13/77/1397081377.db2.gz LXPDMZKASCUOLE-ZDUSSCGKSA-N -1 1 330.413 2.570 10 0 EFAEMM COC(=O)c1cc(CNC(=O)c2cc3ccccc3cc2[O-])ccn1 ZINC001470603257 1397101438 /nfs/dbraw/zinc/10/14/38/1397101438.db2.gz LSROIKUXWNONRV-UHFFFAOYSA-N -1 1 336.347 2.657 10 0 EFAEMM COc1ccc(C(C)=CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC001470629361 1397104701 /nfs/dbraw/zinc/10/47/01/1397104701.db2.gz MBXNXBARFTUSGG-SQVRQVGWSA-N -1 1 349.394 2.517 10 0 EFAEMM CC(=O)[C@H]1CC(C(=O)Nc2cccc(F)c2[O-])=NN1c1ccccc1 ZINC001471166626 1397146450 /nfs/dbraw/zinc/14/64/50/1397146450.db2.gz NTJBAPSQPBJQQT-MRXNPFEDSA-N -1 1 341.342 2.694 10 0 EFAEMM O=C(C=CC(=O)Nc1cccc(F)c1[O-])Nc1ccc2n[nH]cc2c1 ZINC001471166616 1397146960 /nfs/dbraw/zinc/14/69/60/1397146960.db2.gz NKSWOAADRPUFPW-VOTSOKGWSA-N -1 1 340.314 2.541 10 0 EFAEMM Cc1cc(C(=O)CCC(=O)N(Cc2nn[n-]n2)CC(C)C)c(C)s1 ZINC001471646042 1397191989 /nfs/dbraw/zinc/19/19/89/1397191989.db2.gz PSEHWPCWEYERPV-UHFFFAOYSA-N -1 1 349.460 2.526 10 0 EFAEMM Cc1cccc(OCCCCC(=O)N(Cc2nn[n-]n2)CC(C)C)c1 ZINC001471646471 1397193410 /nfs/dbraw/zinc/19/34/10/1397193410.db2.gz XFALOZFCLDYSGM-UHFFFAOYSA-N -1 1 345.447 2.742 10 0 EFAEMM C[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)N1Cc2ccccc2C1=O ZINC001471700117 1397199170 /nfs/dbraw/zinc/19/91/70/1397199170.db2.gz HVXVAHRRODRSQK-LLVKDONJSA-N -1 1 344.798 2.706 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(C(C)C)ns2)c1 ZINC001471721700 1397201526 /nfs/dbraw/zinc/20/15/26/1397201526.db2.gz SPQKHJLFQSAZEN-UHFFFAOYSA-N -1 1 332.385 2.744 10 0 EFAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)c1ccc(CC)s1 ZINC001471796635 1397208841 /nfs/dbraw/zinc/20/88/41/1397208841.db2.gz HGIMGVSQLQLSQI-LLVKDONJSA-N -1 1 348.428 2.583 10 0 EFAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)c1ccc(CC)s1 ZINC001471796635 1397208843 /nfs/dbraw/zinc/20/88/43/1397208843.db2.gz HGIMGVSQLQLSQI-LLVKDONJSA-N -1 1 348.428 2.583 10 0 EFAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)c1ccc(CC)s1 ZINC001471796635 1397208849 /nfs/dbraw/zinc/20/88/49/1397208849.db2.gz HGIMGVSQLQLSQI-LLVKDONJSA-N -1 1 348.428 2.583 10 0 EFAEMM C[C@H](COCC1CCCCC1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001471974028 1397229787 /nfs/dbraw/zinc/22/97/87/1397229787.db2.gz VAVAAVLXOIHWJK-GFCCVEGCSA-N -1 1 348.472 2.733 10 0 EFAEMM O=C(CN1CCO[C@@H](c2ccccc2)CC1)[N-]OCc1ccccc1 ZINC001473888918 1397344587 /nfs/dbraw/zinc/34/45/87/1397344587.db2.gz YKSHFYICKLZVDF-LJQANCHMSA-N -1 1 340.423 2.698 10 0 EFAEMM C[C@@H](O)[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001479211628 1397619454 /nfs/dbraw/zinc/61/94/54/1397619454.db2.gz MLWNITQRUBIJKO-BZNIZROVSA-N -1 1 334.803 2.967 10 0 EFAEMM Cn1cnc2cc(CNC(=O)NCc3ccc([O-])c(Cl)c3)ccc21 ZINC001479212232 1397620142 /nfs/dbraw/zinc/62/01/42/1397620142.db2.gz FTJDLYWTZMFYTB-UHFFFAOYSA-N -1 1 344.802 2.932 10 0 EFAEMM CCC[C@@H](C)C(=O)NCCCN(C(=O)c1ncccc1[O-])C(C)C ZINC001497635815 1401510308 /nfs/dbraw/zinc/51/03/08/1401510308.db2.gz YUGPKORKYNHUQV-CQSZACIVSA-N -1 1 335.448 2.580 10 0 EFAEMM CCC[C@H](C)C(=O)NCCCN(C(=O)c1ncccc1[O-])C(C)C ZINC001497635814 1401510363 /nfs/dbraw/zinc/51/03/63/1401510363.db2.gz YUGPKORKYNHUQV-AWEZNQCLSA-N -1 1 335.448 2.580 10 0 EFAEMM CCCCCC[C@@H](C)CC(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001498295817 1401984866 /nfs/dbraw/zinc/98/48/66/1401984866.db2.gz MZBMOEAXFLORJM-CQSZACIVSA-N -1 1 347.459 2.724 10 0 EFAEMM CC[C@H](CNC(=O)C[C@@H](CC)C(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001499211110 1402523079 /nfs/dbraw/zinc/52/30/79/1402523079.db2.gz VEXFYYXNAVBYPV-ZIAGYGMSSA-N -1 1 349.475 2.874 10 0 EFAEMM CC[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001499223885 1402527167 /nfs/dbraw/zinc/52/71/67/1402527167.db2.gz PDQZHOZCDPUDBQ-KBPBESRZSA-N -1 1 349.475 2.874 10 0 EFAEMM CCCCCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001500657182 1403271037 /nfs/dbraw/zinc/27/10/37/1403271037.db2.gz FILFYGTYFMKNPM-GJZGRUSLSA-N -1 1 347.459 2.724 10 0 EFAEMM CCCCCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001501310193 1403540003 /nfs/dbraw/zinc/54/00/03/1403540003.db2.gz VTBKGTYAUHUFFN-CABCVRRESA-N -1 1 347.459 2.772 10 0 EFAEMM CCCCC[C@@H](CC)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001505688151 1404940659 /nfs/dbraw/zinc/94/06/59/1404940659.db2.gz UWRLFBIBKGVYPI-HUUCEWRRSA-N -1 1 347.459 2.724 10 0 EFAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000913437824 1427397287 /nfs/dbraw/zinc/39/72/87/1427397287.db2.gz OMOIYOUWLJIXDH-OWCLPIDISA-N -1 1 325.416 2.622 10 0 EFAEMM CCCCCCC(=O)N1CC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001506630663 1406066303 /nfs/dbraw/zinc/06/63/03/1406066303.db2.gz JCANEGFUDWPHDP-IBGZPJMESA-N -1 1 347.459 2.726 10 0 EFAEMM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000898002830 1428287022 /nfs/dbraw/zinc/28/70/22/1428287022.db2.gz WUJGEFGRIJKVFE-HNNXBMFYSA-N -1 1 348.410 2.670 10 0 EFAEMM CCC[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1nnn[n-]1 ZINC000343730231 1428663496 /nfs/dbraw/zinc/66/34/96/1428663496.db2.gz SCDXDBXSASTTAJ-JTQLQIEISA-N -1 1 336.758 2.745 10 0 EFAEMM CC/C=C(/C)C(=O)N[C@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001511879276 1413180424 /nfs/dbraw/zinc/18/04/24/1413180424.db2.gz FOFUPEXDEWSDNH-CNTYAEFGSA-N -1 1 345.443 2.500 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001512147311 1413293360 /nfs/dbraw/zinc/29/33/60/1413293360.db2.gz DDVQARYDPLSDQB-LSDHHAIUSA-N -1 1 345.443 2.643 10 0 EFAEMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)C[C@H](C)CC(C)C ZINC001512441157 1413431768 /nfs/dbraw/zinc/43/17/68/1413431768.db2.gz CPNDKTNCYOMYMC-HUUCEWRRSA-N -1 1 349.475 2.826 10 0 EFAEMM CC[C@@H](C)CC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001512507857 1413458683 /nfs/dbraw/zinc/45/86/83/1413458683.db2.gz YJVXWVDALICITB-HUUCEWRRSA-N -1 1 347.459 2.677 10 0 EFAEMM O=C(C=C1CCCC1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001556126137 1415054476 /nfs/dbraw/zinc/05/44/76/1415054476.db2.gz LMTFIYOCUGSVGF-AWEZNQCLSA-N -1 1 335.770 2.698 10 0 EFAEMM CCOc1cc(O)ccc1NC(=O)c1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001556185952 1415058215 /nfs/dbraw/zinc/05/82/15/1415058215.db2.gz ASKQTGGQVVCQGK-UHFFFAOYSA-N -1 1 347.371 2.722 10 0 EFAEMM CC(C)OCCO[N-]C(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C ZINC001556739008 1415085674 /nfs/dbraw/zinc/08/56/74/1415085674.db2.gz ZXEUBKCJQNFECJ-UONOGXRCSA-N -1 1 346.468 2.645 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(OC)c2)c1 ZINC001556218333 1415059218 /nfs/dbraw/zinc/05/92/18/1415059218.db2.gz AJOJDDFCHWJOQY-UHFFFAOYSA-N -1 1 330.315 2.917 10 0 EFAEMM O=C(CCc1nc2ccccc2oc1=O)Nc1ccc([O-])c(F)c1F ZINC001556591700 1415077375 /nfs/dbraw/zinc/07/73/75/1415077375.db2.gz HKIGQTOIIMTTEF-UHFFFAOYSA-N -1 1 346.289 2.743 10 0 EFAEMM O=C(C[C@H](n1cccn1)C(F)(F)F)Nc1ccc([O-])c(F)c1F ZINC001556592502 1415077505 /nfs/dbraw/zinc/07/75/05/1415077505.db2.gz PWAUFBGEFGCPHR-VIFPVBQESA-N -1 1 335.232 2.999 10 0 EFAEMM O=C(Cn1ccc2ccccc2c1=O)Nc1ccc([O-])c(F)c1F ZINC001556592415 1415077547 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CC(C)CC1(C(=O)NCCCNC(=O)c2ncccc2[O-])CCCC1 ZINC001720260825 1422795729 /nfs/dbraw/zinc/79/57/29/1422795729.db2.gz ILXNGLYFRITJJN-UHFFFAOYSA-N -1 1 347.459 2.630 10 0 EFAEMM CC[C@@H](C)[C@H](C)C(=O)NCCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001720666667 1423127174 /nfs/dbraw/zinc/12/71/74/1423127174.db2.gz YTVHXBHNGACECB-KGLIPLIRSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCCCC[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001720823057 1423223631 /nfs/dbraw/zinc/22/36/31/1423223631.db2.gz TVLHBGIOXHDCEE-SOUVJXGZSA-N -1 1 347.459 2.771 10 0 EFAEMM CC/C=C(\C)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001720858217 1423257201 /nfs/dbraw/zinc/25/72/01/1423257201.db2.gz GZANIDUSDPGZLK-PHIGAYBXSA-N -1 1 345.443 2.500 10 0 EFAEMM O=C(Cc1c(F)cccc1Cl)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000078714617 1423282112 /nfs/dbraw/zinc/28/21/12/1423282112.db2.gz CGANYOJTDLDPIR-UHFFFAOYSA-N -1 1 345.765 2.764 10 0 EFAEMM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001138085003 1423384508 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O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc(Nc2nn[n-]n2)c1 ZINC000911326321 1447240630 /nfs/dbraw/zinc/24/06/30/1447240630.db2.gz CHBCQDAUHOKPAX-GXTWGEPZSA-N -1 1 326.404 2.642 10 0 EFAEMM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000359521234 1450155512 /nfs/dbraw/zinc/15/55/12/1450155512.db2.gz GGROAMVNBIIEOE-SNVBAGLBSA-N -1 1 325.376 2.595 10 0 EFAEMM CCc1c2ccccc2oc1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001123910147 1450268558 /nfs/dbraw/zinc/26/85/58/1450268558.db2.gz HTMVKPYOBLOCFI-GFCCVEGCSA-N -1 1 339.399 2.603 10 0 EFAEMM CC(C)(C)c1cnc(NC(=O)c2cccc(Nc3nn[n-]n3)c2)s1 ZINC001148210524 1450391222 /nfs/dbraw/zinc/39/12/22/1450391222.db2.gz LUWQXSWTWZHQKX-UHFFFAOYSA-N -1 1 343.416 2.950 10 0 EFAEMM COc1cc(C(=O)N2CCC[C@H](c3ncccn3)C2)cc(Cl)c1[O-] ZINC000924329687 713608694 /nfs/dbraw/zinc/60/86/94/713608694.db2.gz FRKFNBVVYPHDCK-NSHDSACASA-N -1 1 347.802 2.864 10 0 EFAEMM O=C([N-]c1nnc(-c2ccccn2)s1)c1coc(CC2CC2)n1 ZINC000187310850 713828323 /nfs/dbraw/zinc/82/83/23/713828323.db2.gz 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O=C(NCC[C@H](NC1CC1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC001363736257 1337018291 /nfs/dbraw/zinc/01/82/91/1337018291.db2.gz IOTBANUHRVLIPY-LBPRGKRZSA-N -1 1 336.741 2.848 10 0 EFAEMM O=C(NCCc1nc2c(s1)COCC2)c1ccc(Cl)cc1[O-] ZINC001363751293 1337024400 /nfs/dbraw/zinc/02/44/00/1337024400.db2.gz MLWIUWBLMOBSFR-UHFFFAOYSA-N -1 1 338.816 2.547 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C[C@H]1CCCc2ccccc21 ZINC001363813280 1337064084 /nfs/dbraw/zinc/06/40/84/1337064084.db2.gz ZQLMEFFYXUVRFC-OAHLLOKOSA-N -1 1 327.432 2.695 10 0 EFAEMM COC(=O)C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC001363979653 1337135100 /nfs/dbraw/zinc/13/51/00/1337135100.db2.gz GOLMNIMPHGNSLN-JTQLQIEISA-N -1 1 345.317 2.730 10 0 EFAEMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H](c2ncccn2)C1 ZINC001364978563 1337209728 /nfs/dbraw/zinc/20/97/28/1337209728.db2.gz SJHYNSWCBRDWCZ-JTQLQIEISA-N -1 1 348.200 2.574 10 0 EFAEMM CCCN(CCNC(=O)[C@]1(C)CCC[C@H]1C)C(=O)c1ncccc1[O-] ZINC001387443866 1352137178 /nfs/dbraw/zinc/13/71/78/1352137178.db2.gz KVASHMQMEVSSBS-AUUYWEPGSA-N -1 1 347.459 2.582 10 0 EFAEMM CC[C@H](CC(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-])C(C)(C)C ZINC001370469510 1340090565 /nfs/dbraw/zinc/09/05/65/1340090565.db2.gz FTFJENRJUMQJKL-UONOGXRCSA-N -1 1 349.475 2.826 10 0 EFAEMM CC(C)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001370944526 1340300524 /nfs/dbraw/zinc/30/05/24/1340300524.db2.gz HYSGEOUWACYGGI-LSDHHAIUSA-N -1 1 347.459 2.628 10 0 EFAEMM CC(C)N(CCN(C)C(=O)[C@@H](C)C(C)(C)C)C(=O)c1ncccc1[O-] ZINC001371064000 1340338626 /nfs/dbraw/zinc/33/86/26/1340338626.db2.gz AEWPANXARDOAKE-CQSZACIVSA-N -1 1 349.475 2.778 10 0 EFAEMM CC[C@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(C)C ZINC001371614886 1340676486 /nfs/dbraw/zinc/67/64/86/1340676486.db2.gz BODRTFKUVOOVNN-CABCVRRESA-N -1 1 347.459 2.532 10 0 EFAEMM CC[C@@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-])C(C)C ZINC001371614908 1340676748 /nfs/dbraw/zinc/67/67/48/1340676748.db2.gz BODRTFKUVOOVNN-LSDHHAIUSA-N -1 1 347.459 2.532 10 0 EFAEMM CCC[C@H](C)C(=O)N(C)C[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001371816406 1340695063 /nfs/dbraw/zinc/69/50/63/1340695063.db2.gz MODUEWJBIVZWJP-GJZGRUSLSA-N -1 1 347.459 2.677 10 0 EFAEMM CCCCC(=O)NC[C@H]1CCC(C)(C)CN1C(=O)c1ncccc1[O-] ZINC001371828881 1340706334 /nfs/dbraw/zinc/70/63/34/1340706334.db2.gz ANBKDWGBKLASEI-CQSZACIVSA-N -1 1 347.459 2.724 10 0 EFAEMM CCC[C@](C)(CC)C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001374050354 1341337263 /nfs/dbraw/zinc/33/72/63/1341337263.db2.gz NFNIPSYUOSHBES-LIRRHRJNSA-N -1 1 347.459 2.724 10 0 EFAEMM C[C@@H](CCC(C)(C)C)C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001393976393 1357341925 /nfs/dbraw/zinc/34/19/25/1357341925.db2.gz AEGUOMYRDPGDKF-ZDUSSCGKSA-N -1 1 347.459 2.532 10 0 EFAEMM CCCC[C@@H](C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1)C(C)C ZINC001393978242 1357344347 /nfs/dbraw/zinc/34/43/47/1357344347.db2.gz HKHOMPKSPFPNQX-OAHLLOKOSA-N -1 1 347.459 2.532 10 0 EFAEMM CC[C@@H](C)CC(=O)NC[C@@]1(C)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001380023760 1347466319 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CC(C)[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)C1(C)CCCC1 ZINC001383551832 1349605899 /nfs/dbraw/zinc/60/58/99/1349605899.db2.gz GESXTDBNCNGOTF-CQSZACIVSA-N -1 1 347.459 2.628 10 0 EFAEMM CC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001385098465 1350579864 /nfs/dbraw/zinc/57/98/64/1350579864.db2.gz QMHDUJDZDYXPRR-KGLIPLIRSA-N -1 1 347.459 2.580 10 0 EFAEMM CC[C@@H](C)CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CCCC1 ZINC001394177148 1357553321 /nfs/dbraw/zinc/55/33/21/1357553321.db2.gz BOYPQZHYJWONQK-UKRRQHHQSA-N -1 1 347.459 2.628 10 0 EFAEMM CCC(CC)[C@H](C)C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001388516760 1352760188 /nfs/dbraw/zinc/76/01/88/1352760188.db2.gz PXGZSNQJYNDATP-ZFWWWQNUSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)C[C@@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001388517194 1352760212 /nfs/dbraw/zinc/76/02/12/1352760212.db2.gz IOFIKGGJAJBMJA-CABCVRRESA-N -1 1 349.475 2.730 10 0 EFAEMM CC(C)C[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001388517202 1352760433 /nfs/dbraw/zinc/76/04/33/1352760433.db2.gz IOFIKGGJAJBMJA-HUUCEWRRSA-N -1 1 349.475 2.730 10 0 EFAEMM CC[C@@H](CC(C)C)C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001388557762 1352795850 /nfs/dbraw/zinc/79/58/50/1352795850.db2.gz WASGANQMLKDOAC-GJZGRUSLSA-N -1 1 347.459 2.580 10 0 EFAEMM CCC[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001391046248 1354731583 /nfs/dbraw/zinc/73/15/83/1354731583.db2.gz ONAAMKOXAFGSKV-CZUORRHYSA-N -1 1 346.475 2.576 10 0 EFAEMM CCC[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001391046238 1354731639 /nfs/dbraw/zinc/73/16/39/1354731639.db2.gz ONAAMKOXAFGSKV-CJNGLKHVSA-N -1 1 346.475 2.576 10 0 EFAEMM C[C@@H](CC(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-])C(C)(C)C ZINC001391067109 1354757620 /nfs/dbraw/zinc/75/76/20/1354757620.db2.gz ROBDNMSQNJBMGP-UONOGXRCSA-N -1 1 347.459 2.580 10 0 EFAEMM C[C@H](NC(=O)CCCC1CCCC1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001394971446 1358246644 /nfs/dbraw/zinc/24/66/44/1358246644.db2.gz ZNPYZCSIZDGDDJ-KBPBESRZSA-N 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CC(C)C[C@@H](C)CC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001399605350 1361368634 /nfs/dbraw/zinc/36/86/34/1361368634.db2.gz MPVQNKXXBXNRCD-CABCVRRESA-N -1 1 349.475 2.730 10 0 EFAEMM C[C@H](CC(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001400897934 1362239997 /nfs/dbraw/zinc/23/99/97/1362239997.db2.gz UHZKVDAWMNIBQW-YJYMSZOUSA-N -1 1 347.459 2.580 10 0 EFAEMM CCC(CC)[C@@H](C)C(=O)N[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001400907424 1362246996 /nfs/dbraw/zinc/24/69/96/1362246996.db2.gz OLQABZBOBWJFQV-BFUOFWGJSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)C[C@H](C)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001404044985 1365203498 /nfs/dbraw/zinc/20/34/98/1365203498.db2.gz GIQKWEYZOHPXAY-GJZGRUSLSA-N -1 1 347.459 2.532 10 0 EFAEMM CCCC[C@@H](CC)C(=O)NC1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001404079052 1365239902 /nfs/dbraw/zinc/23/99/02/1365239902.db2.gz NTCADOCYRRWIFZ-SHARSMKWSA-N -1 1 347.459 2.628 10 0 EFAEMM CCC(C)(CC)C(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001404699288 1365775771 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347.459 2.579 10 0 EFAEMM C[C@H](CC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1)C(C)(C)C ZINC001414636836 1370537203 /nfs/dbraw/zinc/53/72/03/1370537203.db2.gz NIQHRGAAICWHHW-CQSZACIVSA-N -1 1 347.459 2.534 10 0 EFAEMM O=C(NCCc1c(F)cc([O-])cc1F)N1CCc2ccccc2C1 ZINC001414732499 1370646920 /nfs/dbraw/zinc/64/69/20/1370646920.db2.gz QNXRZGRVOMXCMT-UHFFFAOYSA-N -1 1 332.350 2.981 10 0 EFAEMM CC[C@@H](CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001414774864 1370683753 /nfs/dbraw/zinc/68/37/53/1370683753.db2.gz UAGCYLXIWAAAKC-KBPBESRZSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCC[C@H](CC)C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001415739695 1371543056 /nfs/dbraw/zinc/54/30/56/1371543056.db2.gz GFUQOXPMHSNLTK-GJZGRUSLSA-N -1 1 347.459 2.724 10 0 EFAEMM O=C(NCc1cccc(CO)c1)c1c([O-])cnc2c(F)cccc21 ZINC001545715935 1372066676 /nfs/dbraw/zinc/06/66/76/1372066676.db2.gz BFHISICMXODQMC-UHFFFAOYSA-N -1 1 326.327 2.502 10 0 EFAEMM CCC[C@@H](C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)C)C(C)C ZINC001416631789 1372331174 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EFAEMM Cc1c[nH]c(C2(NC(=O)c3cc(Cl)ccc3[O-])CCOCC2)n1 ZINC001420181726 1376539918 /nfs/dbraw/zinc/53/99/18/1376539918.db2.gz CBGMVBLWEKGEQW-UHFFFAOYSA-N -1 1 335.791 2.513 10 0 EFAEMM Cn1ccc(-c2cc(C(=O)[N-]c3cc(F)c(F)c(F)c3F)no2)n1 ZINC001438629711 1388707890 /nfs/dbraw/zinc/70/78/90/1388707890.db2.gz JIIOFNHBFBZUIQ-UHFFFAOYSA-N -1 1 340.236 2.884 10 0 EFAEMM CC(C)CCCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001423718725 1382341983 /nfs/dbraw/zinc/34/19/83/1382341983.db2.gz AHLCGLUFOXQOGP-HNNXBMFYSA-N -1 1 347.459 2.677 10 0 EFAEMM CCN(C(=O)C[C@@H](C)C(C)(C)C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001426338470 1384244438 /nfs/dbraw/zinc/24/44/38/1384244438.db2.gz ZNAPOZRWUJMHMW-ZIAGYGMSSA-N -1 1 349.475 2.826 10 0 EFAEMM CCC(CC)[C@@H](C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001433111747 1386806446 /nfs/dbraw/zinc/80/64/46/1386806446.db2.gz YEGMYYLMEWZXMA-UKRRQHHQSA-N -1 1 349.475 2.730 10 0 EFAEMM O=C(NC1CCN(C(=O)c2ccc(F)c([O-])c2)CC1)c1ccccc1 ZINC001433595899 1386934110 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10 0 EFAEMM CC1(C)[C@H](NC(=O)c2c([O-])cnc3c(F)cccc32)[C@H]2CCO[C@@H]21 ZINC001433723084 1386958548 /nfs/dbraw/zinc/95/85/48/1386958548.db2.gz GGBSMZRMNWDFFW-GTTSAUCSSA-N -1 1 330.359 2.623 10 0 EFAEMM CCOC(=O)[C@H](CNC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001433731452 1386960459 /nfs/dbraw/zinc/96/04/59/1386960459.db2.gz HJHANFRJDDKYFR-CQSZACIVSA-N -1 1 331.343 2.608 10 0 EFAEMM CC(C)Oc1cccc([C@H](O)CNC(=O)c2cccc([O-])c2F)c1 ZINC001433795254 1386983050 /nfs/dbraw/zinc/98/30/50/1386983050.db2.gz QFUDNIMGFVEOFU-MRXNPFEDSA-N -1 1 333.359 2.782 10 0 EFAEMM COC(=O)[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccsc1 ZINC001433928840 1387026724 /nfs/dbraw/zinc/02/67/24/1387026724.db2.gz BNKSJQSUVDCFTR-LBPRGKRZSA-N -1 1 325.773 2.751 10 0 EFAEMM CC1(C)CCC[C@@]1(O)CNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001434029615 1387066081 /nfs/dbraw/zinc/06/60/81/1387066081.db2.gz LFZOSDVUIYBFOM-GOSISDBHSA-N -1 1 332.375 2.751 10 0 EFAEMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)[C@@H]2CCCC[C@H]12 ZINC001434156662 1387101927 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CC/C=C(/C)C(=O)NCCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001704731736 1418096855 /nfs/dbraw/zinc/09/68/55/1418096855.db2.gz WAOXRQHKKBESAU-RZNTYIFUSA-N -1 1 345.443 2.502 10 0 EFAEMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC000910043485 1429291146 /nfs/dbraw/zinc/29/11/46/1429291146.db2.gz DBQDPKKICPKABA-IGNZVWTISA-N -1 1 333.395 2.779 10 0 EFAEMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)cc1 ZINC000244299393 1419300381 /nfs/dbraw/zinc/30/03/81/1419300381.db2.gz WWWJZZUACWTMHP-UHFFFAOYSA-N -1 1 347.440 2.881 10 0 EFAEMM CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000129383270 1429461151 /nfs/dbraw/zinc/46/11/51/1429461151.db2.gz GPZNSWXEIMZDEE-NSHDSACASA-N -1 1 349.822 2.660 10 0 EFAEMM CCCCCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001718166592 1422118100 /nfs/dbraw/zinc/11/81/00/1422118100.db2.gz IEUCUFLNXPQDKD-AWEZNQCLSA-N -1 1 349.475 2.970 10 0 EFAEMM C[C@H](C[C@@H](C)NC(=O)C1CCC=CCC1)NC(=O)c1ncccc1[O-] ZINC001718920951 1422557238 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CCCCN(Cc1c(C)oc(C)c1C)C(=O)CCCc1nnn[n-]1 ZINC000928912988 1429593920 /nfs/dbraw/zinc/59/39/20/1429593920.db2.gz HRHQWXAQAZYGCW-UHFFFAOYSA-N -1 1 333.436 2.870 10 0 EFAEMM CC[C@H](C)[C@@H](C(=O)N1CCC[C@H](c2nnn[n-]2)C1)c1ccccc1 ZINC000129295798 1429608250 /nfs/dbraw/zinc/60/82/50/1429608250.db2.gz CYFYIXFZRVAYKM-CWRNSKLLSA-N -1 1 327.432 2.736 10 0 EFAEMM CCCOC(=O)c1ccc([N-]S(=O)(=O)CCC(F)(F)F)cc1 ZINC000171330639 1423208520 /nfs/dbraw/zinc/20/85/20/1423208520.db2.gz XUNYPGYMZBOWGH-UHFFFAOYSA-N -1 1 339.335 2.948 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000135576931 1423246752 /nfs/dbraw/zinc/24/67/52/1423246752.db2.gz OTEKVBXWNRZJHR-UHFFFAOYSA-N -1 1 345.309 2.644 10 0 EFAEMM CCC[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1nnn[n-]1 ZINC000176768595 1423367771 /nfs/dbraw/zinc/36/77/71/1423367771.db2.gz PLNFTKSSACVVQI-LLVKDONJSA-N -1 1 344.202 2.543 10 0 EFAEMM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120814763 1423408622 /nfs/dbraw/zinc/40/86/22/1423408622.db2.gz 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ZINC000646272338 481195908 /nfs/dbraw/zinc/19/59/08/481195908.db2.gz FQNNMDMTKBVRBO-CQSZACIVSA-N -1 1 334.379 2.669 10 0 EFAEMM Cc1ccc(CC2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)C2)cc1 ZINC000664388254 481222087 /nfs/dbraw/zinc/22/20/87/481222087.db2.gz IVAOATCJAMKQKI-UHFFFAOYSA-N -1 1 333.391 2.546 10 0 EFAEMM O=C(c1ccc2ccccc2c1[O-])N1CCC(Cn2cnnc2)CC1 ZINC000650628571 481226586 /nfs/dbraw/zinc/22/65/86/481226586.db2.gz CSCKJBJLGMYSJF-UHFFFAOYSA-N -1 1 336.395 2.689 10 0 EFAEMM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)n1 ZINC000659183297 481256127 /nfs/dbraw/zinc/25/61/27/481256127.db2.gz SDOKSEQUUNWKPK-GFCCVEGCSA-N -1 1 345.334 2.577 10 0 EFAEMM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)n1 ZINC000659183298 481256245 /nfs/dbraw/zinc/25/62/45/481256245.db2.gz SDOKSEQUUNWKPK-LBPRGKRZSA-N -1 1 345.334 2.577 10 0 EFAEMM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)cc3cn[nH]c32)n1 ZINC000659187534 481260621 /nfs/dbraw/zinc/26/06/21/481260621.db2.gz QTPILHVWFVLZOJ-ZDUSSCGKSA-N -1 1 341.371 2.746 10 0 EFAEMM CC[C@@H](C(=O)[O-])N(C)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000650807067 481355950 /nfs/dbraw/zinc/35/59/50/481355950.db2.gz NRESNDFKKGZOCX-LBPRGKRZSA-N -1 1 343.214 2.869 10 0 EFAEMM O=C([N-]c1ncn(C2CCCCC2)n1)c1scc2c1OCCO2 ZINC000653743611 481435964 /nfs/dbraw/zinc/43/59/64/481435964.db2.gz SCUPYZLNVHHAHT-UHFFFAOYSA-N -1 1 334.401 2.868 10 0 EFAEMM O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000653827823 481484774 /nfs/dbraw/zinc/48/47/74/481484774.db2.gz ICGRUTZEJHISCN-WFASDCNBSA-N -1 1 343.345 2.938 10 0 EFAEMM CC[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@H](O)C(F)F ZINC000651079725 481545153 /nfs/dbraw/zinc/54/51/53/481545153.db2.gz VJFOIMXVUHPWTD-SCZZXKLOSA-N -1 1 327.249 2.545 10 0 EFAEMM O=C([O-])[C@@H](c1ccsc1)N1CC[C@](O)(Cc2ccc(F)cc2)C1 ZINC000659796267 481554722 /nfs/dbraw/zinc/55/47/22/481554722.db2.gz JDPGZMTYPYYRJA-WBVHZDCISA-N -1 1 335.400 2.692 10 0 EFAEMM CCCN1C[C@H](c2noc(-c3cc(SC)ccc3[O-])n2)CC1=O ZINC000664906908 481555509 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/nfs/dbraw/zinc/57/77/27/1321577727.db2.gz IZFGYLCXQVRBPL-UKRRQHHQSA-N -1 1 345.443 2.643 10 0 EFAEMM CCC(=CC(=O)N(CCN(C)C(=O)c1ncccc1[O-])C(C)C)CC ZINC001288160624 1321604584 /nfs/dbraw/zinc/60/45/84/1321604584.db2.gz NGKXXBFYGQRSBC-UHFFFAOYSA-N -1 1 347.459 2.843 10 0 EFAEMM CC/C(C)=C/C(=O)N1CCC([C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001288275944 1321633538 /nfs/dbraw/zinc/63/35/38/1321633538.db2.gz XDOCTVZXQRPBJC-FNDVETGQSA-N -1 1 345.443 2.500 10 0 EFAEMM CC/C(C)=C\C(=O)N1CCCC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001288671038 1321731957 /nfs/dbraw/zinc/73/19/57/1321731957.db2.gz WGZOXYUKRNIWGW-IKESIWSLSA-N -1 1 345.443 2.597 10 0 EFAEMM C[C@@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCC1(C)C ZINC001288859203 1321780175 /nfs/dbraw/zinc/78/01/75/1321780175.db2.gz KGZXFHRHRSZYDT-UONOGXRCSA-N -1 1 347.459 2.628 10 0 EFAEMM CCOC(=O)c1nc(NC(=O)c2cc(Cl)ncc2C)[n-]c1Cl ZINC001289091298 1321800322 /nfs/dbraw/zinc/80/03/22/1321800322.db2.gz RVAGPYULFFFFSW-UHFFFAOYSA-N -1 1 343.170 2.849 10 0 EFAEMM O=C(Nc1ccc(F)cc1[O-])c1cccn(CC(F)(F)F)c1=O ZINC001306799169 1321822208 /nfs/dbraw/zinc/82/22/08/1321822208.db2.gz HLGFKXCKRWLAAX-UHFFFAOYSA-N -1 1 330.237 2.508 10 0 EFAEMM CC(C)CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001289989972 1321855178 /nfs/dbraw/zinc/85/51/78/1321855178.db2.gz BSPRJPPRNKGXAZ-HNNXBMFYSA-N -1 1 347.459 2.677 10 0 EFAEMM CC/C=C(/C)C(=O)N1CCCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001290558478 1321925938 /nfs/dbraw/zinc/92/59/38/1321925938.db2.gz RMKLFBFTTVSLEE-CKNOQMABSA-N -1 1 345.443 2.645 10 0 EFAEMM CCO/C=C/C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001290892206 1321968438 /nfs/dbraw/zinc/96/84/38/1321968438.db2.gz UWASSBVXEJMIAK-VAWYXSNFSA-N -1 1 346.408 2.976 10 0 EFAEMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)[N-]O[C@@H]2CCCCO2)C1(C)C ZINC001292299704 1322053818 /nfs/dbraw/zinc/05/38/18/1322053818.db2.gz VXKMPCSWHSHSCG-YNEHKIRRSA-N -1 1 342.436 2.500 10 0 EFAEMM CC[C@@H]1CCCC[C@H]1C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001294036790 1322398307 /nfs/dbraw/zinc/39/83/07/1322398307.db2.gz CTNNOCYARNGSLB-HUUCEWRRSA-N -1 1 347.459 2.582 10 0 EFAEMM CCC[C@](C)(CC)C(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001294275488 1322443025 /nfs/dbraw/zinc/44/30/25/1322443025.db2.gz XOHOCNZLLADZAD-SFHVURJKSA-N -1 1 335.448 2.582 10 0 EFAEMM CCN(CCCNC(=O)C[C@H]1C=CCCC1)C(=O)c1ncccc1[O-] ZINC001294477532 1322491207 /nfs/dbraw/zinc/49/12/07/1322491207.db2.gz NMGXQNAECXOLRS-HNNXBMFYSA-N -1 1 345.443 2.502 10 0 EFAEMM C/C=C(\C)C(=O)N(CCC)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001294845375 1322579793 /nfs/dbraw/zinc/57/97/93/1322579793.db2.gz OUZFAWLXNOUUKJ-LHHJGKSTSA-N -1 1 345.443 2.597 10 0 EFAEMM CC[C@@H](C)CCCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001295034271 1322621363 /nfs/dbraw/zinc/62/13/63/1322621363.db2.gz BXBRCPQQRGFBBD-CABCVRRESA-N -1 1 347.459 2.724 10 0 EFAEMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(Cn2cncn2)c1 ZINC001295292338 1322671146 /nfs/dbraw/zinc/67/11/46/1322671146.db2.gz RAZTVUSSDFZXOS-UHFFFAOYSA-N -1 1 328.759 2.938 10 0 EFAEMM CC(C)(C)CC(=O)N1CCC[C@H]1CCCNC(=O)c1ncccc1[O-] ZINC001295953520 1322819356 /nfs/dbraw/zinc/81/93/56/1322819356.db2.gz FBQOOVODCYDJHC-CQSZACIVSA-N -1 1 347.459 2.724 10 0 EFAEMM O=S(=O)([N-]CCc1ccccc1O)c1cnc(Cl)cc1Cl ZINC001320019526 1329057155 /nfs/dbraw/zinc/05/71/55/1329057155.db2.gz DMJOFYZRXNGZIN-UHFFFAOYSA-N -1 1 347.223 2.615 10 0 EFAEMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc2n[n-]c(=S)n2c1 ZINC001297114552 1323091697 /nfs/dbraw/zinc/09/16/97/1323091697.db2.gz QPOJWPURTPBJRJ-QWHCGFSZSA-N -1 1 344.827 2.957 10 0 EFAEMM CCC(CC)(NC(=O)c1cc2c([nH]1)c(F)ccc2C)c1nn[n-]n1 ZINC001297487865 1323236804 /nfs/dbraw/zinc/23/68/04/1323236804.db2.gz OQOLCVSHUSUZJB-UHFFFAOYSA-N -1 1 330.367 2.574 10 0 EFAEMM O=C(Cn1ccnc1)Nc1c([O-])cc(Br)cc1Cl ZINC001297573851 1323279660 /nfs/dbraw/zinc/27/96/60/1323279660.db2.gz DZXMFXZCFXISFB-UHFFFAOYSA-N -1 1 330.569 2.643 10 0 EFAEMM CC/C(C)=C/C(=O)NCCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001297603354 1323295880 /nfs/dbraw/zinc/29/58/80/1323295880.db2.gz SBYPMSPRYPDOJJ-BUHFOSPRSA-N -1 1 345.443 2.502 10 0 EFAEMM Cn1cnc(-c2ccc(C(=O)Nc3ccc([O-])c(F)c3F)cc2)n1 ZINC001297821466 1323348477 /nfs/dbraw/zinc/34/84/77/1323348477.db2.gz UUROHAWUGLZEFI-UHFFFAOYSA-N -1 1 330.294 2.718 10 0 EFAEMM CC(C)=C(C)CC(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001297831734 1323353488 /nfs/dbraw/zinc/35/34/88/1323353488.db2.gz LLNFHQPTCDEAKR-OAHLLOKOSA-N -1 1 347.459 2.794 10 0 EFAEMM CCCONC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001299906499 1323712288 /nfs/dbraw/zinc/71/22/88/1323712288.db2.gz YDAWWVUNMLKPHF-UHFFFAOYSA-N -1 1 334.397 2.559 10 0 EFAEMM O=C(c1ccc2ccc(O)cc2c1[O-])N1Cc2ccccc2NC(=O)C1 ZINC001299939374 1323713983 /nfs/dbraw/zinc/71/39/83/1323713983.db2.gz SPZNLIOHJZKSPO-UHFFFAOYSA-N -1 1 348.358 2.846 10 0 EFAEMM O=C(N[C@H](c1ncc[nH]1)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC001300899934 1324513719 /nfs/dbraw/zinc/51/37/19/1324513719.db2.gz OZCICIGJAMBSDW-HNNXBMFYSA-N -1 1 329.306 2.913 10 0 EFAEMM COc1cccc(Nc2ccc(NC(=O)CCc3nn[n-]n3)cc2)c1 ZINC001301470020 1324544641 /nfs/dbraw/zinc/54/46/41/1324544641.db2.gz FZZDGAIWRHJSMR-UHFFFAOYSA-N -1 1 338.371 2.523 10 0 EFAEMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])nn1-c1nc(C)cc(C)n1 ZINC001302486994 1324578578 /nfs/dbraw/zinc/57/85/78/1324578578.db2.gz UBATYKZQDYTHML-UHFFFAOYSA-N -1 1 341.346 2.685 10 0 EFAEMM O=C(Nc1cccc(F)c1[O-])c1cc(F)ccc1N1CCOCC1 ZINC001302484219 1324579028 /nfs/dbraw/zinc/57/90/28/1324579028.db2.gz ABGJSGNNTLSJLV-UHFFFAOYSA-N -1 1 334.322 2.759 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC001303035961 1324593089 /nfs/dbraw/zinc/59/30/89/1324593089.db2.gz ZZVGHVAIWXUXJD-SFHVURJKSA-N -1 1 349.390 2.881 10 0 EFAEMM COc1ccc([S@@](C)(=O)=NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC001303913049 1324626494 /nfs/dbraw/zinc/62/64/94/1324626494.db2.gz MRAFOIDRSAQMOX-XMMPIXPASA-N -1 1 345.380 2.975 10 0 EFAEMM CCc1noc([C@H]2CC[C@H](NC(=O)c3cc(C)cc(C=O)c3[O-])C2)n1 ZINC001304449960 1324651454 /nfs/dbraw/zinc/65/14/54/1324651454.db2.gz IHIBSQWYPRZJBG-AAEUAGOBSA-N -1 1 343.383 2.525 10 0 EFAEMM CCc1noc([C@@H]2CC[C@@H](NC(=O)c3cc(C)cc(C=O)c3[O-])C2)n1 ZINC001304449961 1324651734 /nfs/dbraw/zinc/65/17/34/1324651734.db2.gz IHIBSQWYPRZJBG-DGCLKSJQSA-N -1 1 343.383 2.525 10 0 EFAEMM O=C(C=Cc1ccc[nH]1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001306825960 1324723387 /nfs/dbraw/zinc/72/33/87/1324723387.db2.gz LUEVBLLOEGTCAX-GQCTYLIASA-N -1 1 329.747 2.811 10 0 EFAEMM O=C(C=Cc1ccc[nH]1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001306825960 1324723392 /nfs/dbraw/zinc/72/33/92/1324723392.db2.gz LUEVBLLOEGTCAX-GQCTYLIASA-N -1 1 329.747 2.811 10 0 EFAEMM O=C(COC(=O)c1n[nH]c2ccc(Cl)cc21)c1ccc([O-])cc1O ZINC001321920945 1329416777 /nfs/dbraw/zinc/41/67/77/1329416777.db2.gz LUDBUNMDFFZPML-UHFFFAOYSA-N -1 1 346.726 2.667 10 0 EFAEMM O=C([N-]OCc1ccc(F)cc1)[C@H]1CCCCN1Cc1ccncc1 ZINC001323829565 1329575939 /nfs/dbraw/zinc/57/59/39/1329575939.db2.gz KLZHEMZUBKMJOF-GOSISDBHSA-N -1 1 343.402 2.823 10 0 EFAEMM Cc1[nH]nc2ncc(C(=O)Nc3ccc(Br)c([O-])c3)cc12 ZINC001325061399 1329668454 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CCOC(=O)[C@H](C)Cc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC001333090815 1331076824 /nfs/dbraw/zinc/07/68/24/1331076824.db2.gz CGMUZRDSQVNTNP-GFCCVEGCSA-N -1 1 337.379 2.727 10 0 EFAEMM C/C(=C/c1ccccc1)CN(C)c1nnc(-c2nc(Cl)n[n-]2)n1C ZINC001339537123 1331892686 /nfs/dbraw/zinc/89/26/86/1331892686.db2.gz LSAXFJGUSBPRPP-LUAWRHEFSA-N -1 1 343.822 2.793 10 0 EFAEMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)CC1=CCCCC1 ZINC001339803978 1332101380 /nfs/dbraw/zinc/10/13/80/1332101380.db2.gz NBENJRKEINMTPW-KGLIPLIRSA-N -1 1 345.443 2.691 10 0 EFAEMM CC(=O)CN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(C)C ZINC001342459456 1332330443 /nfs/dbraw/zinc/33/04/43/1332330443.db2.gz UXTAOGJVHOQTIB-UHFFFAOYSA-N -1 1 329.352 2.904 10 0 EFAEMM Cn1nnc2ccc(C(=O)Nc3ccc(Br)c([O-])c3)cc21 ZINC001343526766 1332353945 /nfs/dbraw/zinc/35/39/45/1332353945.db2.gz NUQZQRGUYCCAOI-UHFFFAOYSA-N -1 1 347.172 2.689 10 0 EFAEMM Cc1cnc(C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC001344402222 1332449674 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ZINC001568364141 1416494008 /nfs/dbraw/zinc/49/40/08/1416494008.db2.gz KCMARHIBCKBAAQ-AWEZNQCLSA-N -1 1 342.424 2.526 10 0 EFAEMM O=C(Cc1ccccc1CO)Nc1ccc(Br)c([O-])c1 ZINC001645753098 1416551759 /nfs/dbraw/zinc/55/17/59/1416551759.db2.gz XTJOUYSWTBBIPX-UHFFFAOYSA-N -1 1 336.185 2.828 10 0 EFAEMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc3ccc(C)nc3s2)c1 ZINC001645901821 1416582561 /nfs/dbraw/zinc/58/25/61/1416582561.db2.gz QNWSJRPHGDFURW-UHFFFAOYSA-N -1 1 342.380 2.916 10 0 EFAEMM C[C@H]1c2ccccc2OCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001645929995 1416585767 /nfs/dbraw/zinc/58/57/67/1416585767.db2.gz AACOXUZVMWIDTL-NSHDSACASA-N -1 1 340.408 2.614 10 0 EFAEMM Cn1c(CO)nc2cc(C(=O)Nc3cc(F)c([O-])cc3Cl)ccc21 ZINC001646002479 1416598930 /nfs/dbraw/zinc/59/89/30/1416598930.db2.gz AIMQRUGOSSZEBY-UHFFFAOYSA-N -1 1 349.749 2.816 10 0 EFAEMM COC(=O)c1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)n1C ZINC001646003154 1416598953 /nfs/dbraw/zinc/59/89/53/1416598953.db2.gz VJLCKWDWOWDDOD-UHFFFAOYSA-N -1 1 326.711 2.562 10 0 EFAEMM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2ccnn2C(C)C)CC1 ZINC001646226538 1416635652 /nfs/dbraw/zinc/63/56/52/1416635652.db2.gz QDDYDQWWEYFARW-UHFFFAOYSA-N -1 1 331.420 2.504 10 0 EFAEMM CCN(CCCNC(=O)CC(C)(C)CC)C(=O)c1ncccc1[O-] ZINC001687717005 1416866883 /nfs/dbraw/zinc/86/68/83/1416866883.db2.gz KTWKOWJVERMWMC-UHFFFAOYSA-N -1 1 335.448 2.582 10 0 EFAEMM CCC(=CC(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)CC ZINC001688234416 1416933673 /nfs/dbraw/zinc/93/36/73/1416933673.db2.gz KIHYRQNAXNMXFG-HNNXBMFYSA-N -1 1 345.443 2.597 10 0 EFAEMM C[C@@H](CCCNC(=O)C1(C)CCCCC1)NC(=O)c1ncccc1[O-] ZINC001701460319 1417727145 /nfs/dbraw/zinc/72/71/45/1417727145.db2.gz KGYQYDSRDGJHEN-AWEZNQCLSA-N -1 1 347.459 2.772 10 0 EFAEMM Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000235812679 1418285375 /nfs/dbraw/zinc/28/53/75/1418285375.db2.gz IECJHAIHVIQIIU-UHFFFAOYSA-N -1 1 342.218 2.536 10 0 EFAEMM Cc1n[nH]c(C(=O)NCC=CCN[C@@H](C)c2ccccc2Cl)c1[O-] ZINC001716285456 1418751709 /nfs/dbraw/zinc/75/17/09/1418751709.db2.gz BKDIXUNWCKNOEZ-GZTOBOFZSA-N -1 1 348.834 2.714 10 0 EFAEMM Cc1ccc2nc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000340057645 1429419493 /nfs/dbraw/zinc/41/94/93/1429419493.db2.gz DCMWLPIYSNWMSE-UHFFFAOYSA-N -1 1 344.378 2.653 10 0 EFAEMM CCCC[C@@H](CNC(=O)[C@H]1CC=CCC1)NC(=O)c1ncccc1[O-] ZINC001718242048 1422154804 /nfs/dbraw/zinc/15/48/04/1422154804.db2.gz CPGQVOSUIVIURT-GJZGRUSLSA-N -1 1 345.443 2.548 10 0 EFAEMM CCCC[C@H](CNC(=O)[C@@H]1CC=CCC1)NC(=O)c1ncccc1[O-] ZINC001718242049 1422154874 /nfs/dbraw/zinc/15/48/74/1422154874.db2.gz CPGQVOSUIVIURT-HUUCEWRRSA-N -1 1 345.443 2.548 10 0 EFAEMM C[C@H](CCCNC(=O)C[C@@H]1C=CCCC1)NC(=O)c1ncccc1[O-] ZINC001718392492 1422244943 /nfs/dbraw/zinc/24/49/43/1422244943.db2.gz DWMWZBDJDIOQFE-HUUCEWRRSA-N -1 1 345.443 2.548 10 0 EFAEMM CC(C)=C(C)CC(=O)N(C)[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001718515817 1422331763 /nfs/dbraw/zinc/33/17/63/1422331763.db2.gz OGIWCKFLLQKQCD-HNNXBMFYSA-N -1 1 345.443 2.500 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001718729869 1422447436 /nfs/dbraw/zinc/44/74/36/1422447436.db2.gz PPROBUZSDHXBNM-LSDHHAIUSA-N -1 1 345.443 2.643 10 0 EFAEMM CCCCCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001718903451 1422544159 /nfs/dbraw/zinc/54/41/59/1422544159.db2.gz RSZKLHRGGFKABQ-GJZGRUSLSA-N -1 1 347.459 2.582 10 0 EFAEMM CCC1(C(=O)N[C@H](C)CCCCNC(=O)c2ncccc2[O-])CCC1 ZINC001719025836 1422638416 /nfs/dbraw/zinc/63/84/16/1422638416.db2.gz XGWMAOPQDXJFIQ-CQSZACIVSA-N -1 1 347.459 2.772 10 0 EFAEMM C[C@@H](CC1CCCCC1)C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001720260699 1422795963 /nfs/dbraw/zinc/79/59/63/1422795963.db2.gz CVVMXWDOGCTNQH-AWEZNQCLSA-N -1 1 347.459 2.630 10 0 EFAEMM COc1cccc(C(C)=CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000255442970 1423197596 /nfs/dbraw/zinc/19/75/96/1423197596.db2.gz JSLZGSIMBJBVGG-VURMDHGXSA-N -1 1 326.278 2.874 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CCCc2sccc21 ZINC000155510922 1423221696 /nfs/dbraw/zinc/22/16/96/1423221696.db2.gz PTKNHZVVOWHROV-AWEZNQCLSA-N -1 1 339.424 2.911 10 0 EFAEMM Cc1ccccc1C(C)(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000171820255 1423232340 /nfs/dbraw/zinc/23/23/40/1423232340.db2.gz HCYYNGCDXKFVAD-UHFFFAOYSA-N -1 1 335.411 2.769 10 0 EFAEMM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1C[C@]12CCc1ccccc12 ZINC000178718971 1423234806 /nfs/dbraw/zinc/23/48/06/1423234806.db2.gz QAZFENJNARIDGM-XLIONFOSSA-N -1 1 345.406 2.633 10 0 EFAEMM CC(C)c1ccc(CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000117157013 1423390775 /nfs/dbraw/zinc/39/07/75/1423390775.db2.gz GJJNOTDOKUOMIF-GOSISDBHSA-N -1 1 335.411 2.771 10 0 EFAEMM CCC(CC)C(=O)N1CCC[C@H]1CCCNC(=O)c1ncccc1[O-] ZINC001721044524 1423423598 /nfs/dbraw/zinc/42/35/98/1423423598.db2.gz PYPLKLCWBNGFGA-OAHLLOKOSA-N -1 1 347.459 2.724 10 0 EFAEMM C[C@@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000154727642 1423454865 /nfs/dbraw/zinc/45/48/65/1423454865.db2.gz HGARBUACHOSAJW-SNVBAGLBSA-N -1 1 343.337 2.811 10 0 EFAEMM CCC(CC)n1nccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000155511289 1423461396 /nfs/dbraw/zinc/46/13/96/1423461396.db2.gz SICWDDDDEXWQNQ-UHFFFAOYSA-N -1 1 339.403 2.600 10 0 EFAEMM CCN(c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cc1)C(C)C ZINC000345494136 1423508472 /nfs/dbraw/zinc/50/84/72/1423508472.db2.gz GTFJKJGNKAOULY-UHFFFAOYSA-N -1 1 342.447 2.634 10 0 EFAEMM C/C(=C/C(=O)NCCCN(C(=O)c1ncccc1[O-])C(C)C)C1CC1 ZINC001721256997 1423583113 /nfs/dbraw/zinc/58/31/13/1423583113.db2.gz ZUVGCASWXULBOI-OWBHPGMISA-N -1 1 345.443 2.500 10 0 EFAEMM O=C(CCCCCc1cccs1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001123983874 1423625804 /nfs/dbraw/zinc/62/58/04/1423625804.db2.gz PYXLIBRWKVCSBG-UHFFFAOYSA-N -1 1 347.488 2.845 10 0 EFAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(-c2ccccc2)o1 ZINC000680319467 1423639262 /nfs/dbraw/zinc/63/92/62/1423639262.db2.gz YYZSIIABIYEITM-QGZVFWFLSA-N -1 1 345.362 2.979 10 0 EFAEMM CC(C)(C)c1csc(C(=O)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000913357955 1423719943 /nfs/dbraw/zinc/71/99/43/1423719943.db2.gz ROOBWYOBBAUJRH-UHFFFAOYSA-N -1 1 328.401 2.873 10 0 EFAEMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000135560774 1423757718 /nfs/dbraw/zinc/75/77/18/1423757718.db2.gz DWUVLQHQOSLAKE-ZDUSSCGKSA-N -1 1 337.383 2.505 10 0 EFAEMM CCC[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)c1nn[n-]n1 ZINC000177652135 1423768689 /nfs/dbraw/zinc/76/86/89/1423768689.db2.gz SWELABBOJSXFEX-LLVKDONJSA-N -1 1 346.778 2.779 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2ccccc2n1 ZINC000135564070 1423781159 /nfs/dbraw/zinc/78/11/59/1423781159.db2.gz DSIYTNGUYVCEBE-UHFFFAOYSA-N -1 1 330.351 2.591 10 0 EFAEMM C[C@@]1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCCc2ccccc21 ZINC000110787243 1423835671 /nfs/dbraw/zinc/83/56/71/1423835671.db2.gz JTEKGVHWHVUFRL-HXUWFJFHSA-N -1 1 347.422 2.777 10 0 EFAEMM C[C@H](C(=O)NC/C=C\CNC(=O)c1ncccc1[O-])[C@H](C)C(C)(C)C ZINC001721838399 1424014203 /nfs/dbraw/zinc/01/42/03/1424014203.db2.gz PUAYTTFTRRYAGD-KFBXHMBNSA-N -1 1 347.459 2.508 10 0 EFAEMM CCCOc1cccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000135577621 1424025491 /nfs/dbraw/zinc/02/54/91/1424025491.db2.gz CAIPNJJTWGBMMZ-UHFFFAOYSA-N -1 1 337.383 2.832 10 0 EFAEMM CC/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](CC)C1 ZINC001721983590 1424099305 /nfs/dbraw/zinc/09/93/05/1424099305.db2.gz JYNYJKRCTOXOSJ-YACGDJQHSA-N -1 1 345.443 2.500 10 0 EFAEMM CCCCCC[C@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001722040328 1424139486 /nfs/dbraw/zinc/13/94/86/1424139486.db2.gz KVBRESDFZZLVDB-GJZGRUSLSA-N -1 1 347.459 2.724 10 0 EFAEMM Cc1ccc(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000109875852 1424141165 /nfs/dbraw/zinc/14/11/65/1424141165.db2.gz GBQBVRNRDHKMNK-UHFFFAOYSA-N -1 1 335.411 2.814 10 0 EFAEMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000008728481 1424161936 /nfs/dbraw/zinc/16/19/36/1424161936.db2.gz NANJSCFKIUXYJH-UHFFFAOYSA-N -1 1 329.747 2.781 10 0 EFAEMM CCCCC[C@H](CC)C(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001722140208 1424206494 /nfs/dbraw/zinc/20/64/94/1424206494.db2.gz MRNJOESHBMAEJW-AWEZNQCLSA-N -1 1 347.459 2.677 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2c(cccc2F)[nH]1 ZINC000135566649 1424426975 /nfs/dbraw/zinc/42/69/75/1424426975.db2.gz HGAHIMZYIMUMLY-UHFFFAOYSA-N -1 1 336.330 2.663 10 0 EFAEMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000159110954 1424478724 /nfs/dbraw/zinc/47/87/24/1424478724.db2.gz VCCWFWVGUKLMFP-SNVBAGLBSA-N -1 1 340.387 2.528 10 0 EFAEMM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(F)cc1F ZINC000120664605 1424544047 /nfs/dbraw/zinc/54/40/47/1424544047.db2.gz PPPDEURBLCMYBH-UHFFFAOYSA-N -1 1 329.310 2.629 10 0 EFAEMM C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000109876173 1424587643 /nfs/dbraw/zinc/58/76/43/1424587643.db2.gz UKDWFDMXUQCAMC-LBPRGKRZSA-N -1 1 339.374 2.816 10 0 EFAEMM COc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000083927829 1424623551 /nfs/dbraw/zinc/62/35/51/1424623551.db2.gz CFKMSJFUWCVGST-UHFFFAOYSA-N -1 1 343.774 2.710 10 0 EFAEMM O=C(CCCc1cccs1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135572252 1424676203 /nfs/dbraw/zinc/67/62/03/1424676203.db2.gz OPTNHMQERKFCPO-UHFFFAOYSA-N -1 1 327.413 2.813 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000136991371 1424770219 /nfs/dbraw/zinc/77/02/19/1424770219.db2.gz SBHXEQZSVOFRHT-UHFFFAOYSA-N -1 1 331.738 2.835 10 0 EFAEMM O=C(NC1(c2nnn[n-]2)CC1)c1cccc(-c2c(F)cccc2F)c1 ZINC000357046369 1425273646 /nfs/dbraw/zinc/27/36/46/1425273646.db2.gz DAIQFXSWNIFKFD-UHFFFAOYSA-N -1 1 341.321 2.564 10 0 EFAEMM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc(C(F)(F)F)n1 ZINC000353852117 1425950380 /nfs/dbraw/zinc/95/03/80/1425950380.db2.gz NPQUGSFCJPNTBY-UHFFFAOYSA-N -1 1 340.290 2.594 10 0 EFAEMM Cc1ccc(CN(C(=O)c2cccc(Nc3nn[n-]n3)c2)C2CC2)o1 ZINC000900248591 1425959181 /nfs/dbraw/zinc/95/91/81/1425959181.db2.gz LZMFRIRXCAYMRN-UHFFFAOYSA-N -1 1 338.371 2.650 10 0 EFAEMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC000900973005 1426044463 /nfs/dbraw/zinc/04/44/63/1426044463.db2.gz NOBBZBHRIVVLTL-ZIAGYGMSSA-N -1 1 346.460 2.737 10 0 EFAEMM CCCC(C)(C)C(=O)NCCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001726273220 1426213252 /nfs/dbraw/zinc/21/32/52/1426213252.db2.gz VGLKILAPFABZLO-CYBMUJFWSA-N -1 1 335.448 2.628 10 0 EFAEMM Cc1c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)oc2c1c(C)ccc2C ZINC000132697216 1426324827 /nfs/dbraw/zinc/32/48/27/1426324827.db2.gz VJOWMDPNUBGFMA-ZDUSSCGKSA-N -1 1 339.399 2.891 10 0 EFAEMM CC(=CC(=O)N(C)C[C@@H](C)c1nnn[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000774005104 1426858313 /nfs/dbraw/zinc/85/83/13/1426858313.db2.gz RIROMPAWTIYCBW-OTFDXBKHSA-N -1 1 343.475 2.924 10 0 EFAEMM CCC(=CC(=O)N1CCC[C@H](c2nnn[n-]2)C1)c1ccc(C)cc1 ZINC000361192226 1426895774 /nfs/dbraw/zinc/89/57/74/1426895774.db2.gz UGZUMHYGXKONGR-UKYUDJEDSA-N -1 1 325.416 2.708 10 0 EFAEMM CCC(CC)(NC(=O)C=Cc1ccc(Cl)s1)c1nnn[n-]1 ZINC001140070908 1426924314 /nfs/dbraw/zinc/92/43/14/1426924314.db2.gz YVDKZWALKFEHRV-SOFGYWHQSA-N -1 1 325.825 2.760 10 0 EFAEMM Cc1cc(C)c(C=CC(=O)NC2(c3nnn[n-]3)CCCC2)cc1C ZINC000736162776 1427436935 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CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001363276756 1336855228 /nfs/dbraw/zinc/85/52/28/1336855228.db2.gz OZRVGHKSIMQFCD-INIZCTEOSA-N -1 1 333.411 2.763 10 0 EFAEMM O=C(N[C@@H]1CCc2cc(Br)ccc21)c1ccc([O-])cn1 ZINC001363292610 1336860593 /nfs/dbraw/zinc/86/05/93/1336860593.db2.gz FZKMAFRHXXZXSV-CYBMUJFWSA-N -1 1 333.185 2.967 10 0 EFAEMM CNC(=O)Nc1cccc(C(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001363312574 1336869863 /nfs/dbraw/zinc/86/98/63/1336869863.db2.gz NASHJNPKLHHLQR-UHFFFAOYSA-N -1 1 333.775 2.727 10 0 EFAEMM COc1cncc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC001363323690 1336874876 /nfs/dbraw/zinc/87/48/76/1336874876.db2.gz WLSXKQSJZCOYMD-UHFFFAOYSA-N -1 1 326.274 2.745 10 0 EFAEMM CCOC(=O)C[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1Cl ZINC001363335936 1336881241 /nfs/dbraw/zinc/88/12/41/1336881241.db2.gz RVVOBARRDJRDFQ-OAHLLOKOSA-N -1 1 348.786 2.865 10 0 EFAEMM Cc1cnc(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC001363342388 1336884252 /nfs/dbraw/zinc/88/42/52/1336884252.db2.gz NEQQOXHPVIROAP-UHFFFAOYSA-N -1 1 337.420 2.519 10 0 EFAEMM Cc1cc(O[C@H](C)C(=O)NC2(c3nn[n-]n3)CCC2)ccc1C(C)C ZINC001363547069 1336926055 /nfs/dbraw/zinc/92/60/55/1336926055.db2.gz FOQDBNXFSOJBLV-CYBMUJFWSA-N -1 1 343.431 2.594 10 0 EFAEMM O=C(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(Br)cc1[O-] ZINC001363552860 1336928405 /nfs/dbraw/zinc/92/84/05/1336928405.db2.gz NILWGTROJMKPCH-PUYPPJJSSA-N -1 1 340.217 2.842 10 0 EFAEMM C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001363555713 1336929392 /nfs/dbraw/zinc/92/93/92/1336929392.db2.gz XQQJJUWMQHILKA-VIFPVBQESA-N -1 1 337.836 2.529 10 0 EFAEMM CC(C)Oc1cccc(C(=O)NCCc2c(F)cc([O-])cc2F)n1 ZINC001363613047 1336954194 /nfs/dbraw/zinc/95/41/94/1336954194.db2.gz TXPCAOVTULBZQJ-UHFFFAOYSA-N -1 1 336.338 2.825 10 0 EFAEMM O=C(NCc1ncc(Br)cn1)c1ccc(Cl)cc1[O-] ZINC001363667390 1336983649 /nfs/dbraw/zinc/98/36/49/1336983649.db2.gz WDXVOYQZNPQGGU-UHFFFAOYSA-N -1 1 342.580 2.528 10 0 EFAEMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])Cc2cncnc21 ZINC001363716498 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EFAEMM CCC(C)(C)CC(=O)NCC1(CCNC(=O)c2ncccc2[O-])CC1 ZINC001371388772 1340553185 /nfs/dbraw/zinc/55/31/85/1340553185.db2.gz BJJBHUVLLQGGJE-UHFFFAOYSA-N -1 1 347.459 2.630 10 0 EFAEMM CC(C)CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001371567035 1340649315 /nfs/dbraw/zinc/64/93/15/1340649315.db2.gz RGOIVKJMOSYYKP-HUUCEWRRSA-N -1 1 347.459 2.771 10 0 EFAEMM CC(C)C[C@@H](C)C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001372738911 1340782223 /nfs/dbraw/zinc/78/22/23/1340782223.db2.gz KLFOIMMWTZHDSC-WLYUNCDWSA-N -1 1 347.459 2.627 10 0 EFAEMM C[C@H](CC(C)(C)C)C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001374007349 1341296717 /nfs/dbraw/zinc/29/67/17/1341296717.db2.gz SUGFZNCZCQFBRZ-KGLIPLIRSA-N -1 1 347.459 2.580 10 0 EFAEMM C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001374007345 1341296722 /nfs/dbraw/zinc/29/67/22/1341296722.db2.gz SUGFZNCZCQFBRZ-KBPBESRZSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)CCCC(=O)NC[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001379850465 1347370393 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10 0 EFAEMM CC[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001385098471 1350580160 /nfs/dbraw/zinc/58/01/60/1350580160.db2.gz QMHDUJDZDYXPRR-UONOGXRCSA-N -1 1 347.459 2.580 10 0 EFAEMM CCC[C@@](C)(CC)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001385299062 1350705086 /nfs/dbraw/zinc/70/50/86/1350705086.db2.gz XNDVKILZDCJMBQ-IFXJQAMLSA-N -1 1 347.459 2.677 10 0 EFAEMM CC(C)(C)CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001385565542 1350911565 /nfs/dbraw/zinc/91/15/65/1350911565.db2.gz BCKRIDHROOJFKW-CYBMUJFWSA-N -1 1 347.459 2.580 10 0 EFAEMM CCC[C@H]1CCC[C@@H]1C(=O)NCCN(CC)C(=O)c1ncccc1[O-] ZINC001388323382 1352623641 /nfs/dbraw/zinc/62/36/41/1352623641.db2.gz BPHBHBLHABDTAM-GJZGRUSLSA-N -1 1 347.459 2.582 10 0 EFAEMM CC[C@H]1CCC[C@@]1(C)C(=O)NCCN(CC)C(=O)c1ncccc1[O-] ZINC001388325695 1352625806 /nfs/dbraw/zinc/62/58/06/1352625806.db2.gz LHGBPQVNQGLFHM-IFXJQAMLSA-N -1 1 347.459 2.582 10 0 EFAEMM CCC[C@@H](CC(C)C)C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001389675512 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ZINC001703569408 1417862882 /nfs/dbraw/zinc/86/28/82/1417862882.db2.gz NPPKTNOOQOVRQL-LSDHHAIUSA-N -1 1 347.459 2.582 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@](C)(CNC(=O)c1ncccc1[O-])C1CC1 ZINC001704720508 1418080560 /nfs/dbraw/zinc/08/05/60/1418080560.db2.gz WCMVNJKHSZJDHS-LJQANCHMSA-N -1 1 345.443 2.548 10 0 EFAEMM C=C/C(C)=C/CC(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001704794391 1418146762 /nfs/dbraw/zinc/14/67/62/1418146762.db2.gz AKHAASPUAATBPC-NHXNDTTKSA-N -1 1 345.443 2.570 10 0 EFAEMM O=C(Cc1cccc(C(F)F)c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000344402285 1429445633 /nfs/dbraw/zinc/44/56/33/1429445633.db2.gz VFOHDKFBEXMQDO-UHFFFAOYSA-N -1 1 343.337 2.909 10 0 EFAEMM CC(C(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-])=C1CCC1 ZINC001718123641 1422096929 /nfs/dbraw/zinc/09/69/29/1422096929.db2.gz MWAVMTWEHDYUFP-UHFFFAOYSA-N -1 1 345.443 2.502 10 0 EFAEMM CCCCCCC(=O)N[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001718360524 1422219553 /nfs/dbraw/zinc/21/95/53/1422219553.db2.gz HTIRIRCJZFZDMV-GJZGRUSLSA-N -1 1 347.459 2.915 10 0 EFAEMM CC(C)=C(C)CC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001718807128 1422476060 /nfs/dbraw/zinc/47/60/60/1422476060.db2.gz OCIZDPFEUXFSAO-HNNXBMFYSA-N -1 1 347.459 2.794 10 0 EFAEMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001718951861 1422574684 /nfs/dbraw/zinc/57/46/84/1422574684.db2.gz COYJQHJNXSIEMT-KUHUBIRLSA-N -1 1 345.443 2.500 10 0 EFAEMM CC(C)=C(F)C(=O)N(C)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001718963420 1422582423 /nfs/dbraw/zinc/58/24/23/1422582423.db2.gz GTYNOYYWKVOWPX-CYBMUJFWSA-N -1 1 349.406 2.504 10 0 EFAEMM C/C=C(\C)C(=O)NCCCCCCN(C)C(=O)c1ncccc1[O-] ZINC001719528385 1422744908 /nfs/dbraw/zinc/74/49/08/1422744908.db2.gz CZWWBQCMIKDUQG-LNKIKWGQSA-N -1 1 333.432 2.502 10 0 EFAEMM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000178718983 1423231053 /nfs/dbraw/zinc/23/10/53/1423231053.db2.gz QAZFENJNARIDGM-FXAWDEMLSA-N -1 1 345.406 2.633 10 0 EFAEMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000184569482 1423279416 /nfs/dbraw/zinc/27/94/16/1423279416.db2.gz PRUVCNMGOKYHGQ-ZBFHGGJFSA-N -1 1 343.431 2.714 10 0 EFAEMM O=C(Nc1nn[n-]n1)c1sc(-c2ccccc2)nc1C(F)(F)F ZINC000096581220 1423576181 /nfs/dbraw/zinc/57/61/81/1423576181.db2.gz RZNVXFVDNIFJBO-UHFFFAOYSA-N -1 1 340.290 2.594 10 0 EFAEMM COc1cccc([C@@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000120793633 1423633036 /nfs/dbraw/zinc/63/30/36/1423633036.db2.gz VFHNIFCICPOSDW-GFCCVEGCSA-N -1 1 337.383 2.541 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccn1C1CCCC1 ZINC000182408203 1423756005 /nfs/dbraw/zinc/75/60/05/1423756005.db2.gz GSJYLFOOSIPZRC-UHFFFAOYSA-N -1 1 336.399 2.959 10 0 EFAEMM C[C@H](N[C@H]1CCCOc2cc(Br)ccc21)c1nnn[n-]1 ZINC000044926366 1423776794 /nfs/dbraw/zinc/77/67/94/1423776794.db2.gz QXEGCEMKHILNMA-KWQFWETISA-N -1 1 338.209 2.527 10 0 EFAEMM CCS[C@@H]1CCC[C@H](NC(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC000900956662 1423806719 /nfs/dbraw/zinc/80/67/19/1423806719.db2.gz XKOOZXWHPUFACK-UONOGXRCSA-N -1 1 346.460 2.737 10 0 EFAEMM CCC[C@@H](NC(=O)C=C(CC)c1ccc(OC)cc1)c1nnn[n-]1 ZINC000124738688 1423822983 /nfs/dbraw/zinc/82/29/83/1423822983.db2.gz UNOOAFYJIDFLSA-QYMJWVLRSA-N -1 1 329.404 2.659 10 0 EFAEMM CC/C(C)=C/C(=O)N1CCCC[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001721635922 1423886649 /nfs/dbraw/zinc/88/66/49/1423886649.db2.gz BHYYQPPCUUTQAA-BUYIWHAFSA-N -1 1 345.443 2.645 10 0 EFAEMM CC/C(C)=C\C(=O)N1CCCC[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001721635923 1423886982 /nfs/dbraw/zinc/88/69/82/1423886982.db2.gz BHYYQPPCUUTQAA-PLFFATQSSA-N -1 1 345.443 2.645 10 0 EFAEMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1=CCCCC1 ZINC001721665397 1423914498 /nfs/dbraw/zinc/91/44/98/1423914498.db2.gz PRRYJCUUTIUKDC-HNNXBMFYSA-N -1 1 345.443 2.548 10 0 EFAEMM O=C(Cc1cccc(Cl)c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136986814 1424025281 /nfs/dbraw/zinc/02/52/81/1424025281.db2.gz RFRZFIJETKDQQX-UHFFFAOYSA-N -1 1 327.775 2.625 10 0 EFAEMM O=C(CO[C@H]1CCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000282058919 1424044945 /nfs/dbraw/zinc/04/49/45/1424044945.db2.gz UOTPRMBBEOUATB-KRWDZBQOSA-N -1 1 349.394 2.899 10 0 EFAEMM Cc1ccccc1SCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070730853 1424089539 /nfs/dbraw/zinc/08/95/39/1424089539.db2.gz FIXSEVRBZJUZHL-UHFFFAOYSA-N -1 1 325.397 2.906 10 0 EFAEMM O=C(Nc1nnn[n-]1)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000135469812 1424355742 /nfs/dbraw/zinc/35/57/42/1424355742.db2.gz DKFZNUYSSSALPR-ZJUUUORDSA-N -1 1 328.401 2.722 10 0 EFAEMM CCc1ccsc1C(=O)N[C@@H](c1nn[n-]n1)c1cc(F)ccc1F ZINC000065491477 1424403509 /nfs/dbraw/zinc/40/35/09/1424403509.db2.gz OFGOWJFRFWAOKN-GFCCVEGCSA-N -1 1 349.366 2.621 10 0 EFAEMM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000355495426 1424428018 /nfs/dbraw/zinc/42/80/18/1424428018.db2.gz DUDWIWPVXPSQNY-UHFFFAOYSA-N -1 1 340.412 2.836 10 0 EFAEMM COc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1Cl ZINC000129651319 1424674912 /nfs/dbraw/zinc/67/49/12/1424674912.db2.gz ZRDGPOIJWBJTMF-UHFFFAOYSA-N -1 1 343.774 2.705 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)cc1F ZINC000135545541 1424709319 /nfs/dbraw/zinc/70/93/19/1424709319.db2.gz OXBQDWHPNQDEPP-UHFFFAOYSA-N -1 1 331.738 2.835 10 0 EFAEMM CSc1ccsc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135564672 1424709910 /nfs/dbraw/zinc/70/99/10/1424709910.db2.gz RVNFVQWCGZDTCX-UHFFFAOYSA-N -1 1 331.426 2.826 10 0 EFAEMM CCC[C@H](NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1)c1nnn[n-]1 ZINC000284280266 1424774148 /nfs/dbraw/zinc/77/41/48/1424774148.db2.gz FIAULOHTOGMCTO-WFASDCNBSA-N -1 1 343.431 2.800 10 0 EFAEMM CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2nnn[n-]2)cc1 ZINC000952880281 1424793412 /nfs/dbraw/zinc/79/34/12/1424793412.db2.gz CFWPWUHHQITKPW-BXUZGUMPSA-N -1 1 330.392 2.746 10 0 EFAEMM O=C(CCc1ccccc1Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875452 1424811083 /nfs/dbraw/zinc/81/10/83/1424811083.db2.gz MLCPWJCKQFHWRL-UHFFFAOYSA-N -1 1 341.802 2.769 10 0 EFAEMM CCC[C@H](NC(=O)C=Cc1ccsc1C(F)(F)F)c1nnn[n-]1 ZINC000866421378 1424811300 /nfs/dbraw/zinc/81/13/00/1424811300.db2.gz ZZRIGSHGJFWDRB-WBSSQXGSSA-N -1 1 345.350 2.951 10 0 EFAEMM CC(C)[C@@H]1N(C(=O)c2cccc(Nc3nn[n-]n3)c2)CC12CC=CC2 ZINC000911598701 1424886467 /nfs/dbraw/zinc/88/64/67/1424886467.db2.gz NOPGBXYWVXIPCJ-HNNXBMFYSA-N -1 1 338.415 2.760 10 0 EFAEMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cccc(Nc4nn[n-]n4)c3)C2)C1 ZINC000907297026 1424933492 /nfs/dbraw/zinc/93/34/92/1424933492.db2.gz VFOPHIDCSACHAD-SJKOYZFVSA-N -1 1 326.404 2.596 10 0 EFAEMM C[C@@H](CC(=O)NC1(c2nnn[n-]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000348272819 1424939176 /nfs/dbraw/zinc/93/91/76/1424939176.db2.gz CUBGIZRNBGYJRH-VIFPVBQESA-N -1 1 339.321 2.518 10 0 EFAEMM C[C@@H]1CC[C@]2(CCN(C(=O)c3cccc(Nc4nn[n-]n4)c3)C2)C1 ZINC000907297024 1425037170 /nfs/dbraw/zinc/03/71/70/1425037170.db2.gz VFOPHIDCSACHAD-PXAZEXFGSA-N -1 1 326.404 2.596 10 0 EFAEMM O=C(Nc1cccc(Cc2nn[n-]n2)c1)C12CC(c3ccccc3)(C1)C2 ZINC000910042141 1425327676 /nfs/dbraw/zinc/32/76/76/1425327676.db2.gz HVXXGLMLIYFUBZ-UHFFFAOYSA-N -1 1 345.406 2.851 10 0 EFAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1coc2cc(F)ccc12 ZINC000684566024 1425539746 /nfs/dbraw/zinc/53/97/46/1425539746.db2.gz CTHJDVYQMAPOKV-OAHLLOKOSA-N -1 1 337.314 2.604 10 0 EFAEMM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000362905337 1425957485 /nfs/dbraw/zinc/95/74/85/1425957485.db2.gz JDTSIJKHRABWAO-UHFFFAOYSA-N -1 1 349.329 2.648 10 0 EFAEMM CCCC[C@@H](CNC(=O)C[C@H]1C=CCC1)NC(=O)c1ncccc1[O-] ZINC001726070556 1426058651 /nfs/dbraw/zinc/05/86/51/1426058651.db2.gz SIIKUIUKDAPQBW-GJZGRUSLSA-N -1 1 345.443 2.548 10 0 EFAEMM CCCC[C@@H](CNC(=O)[C@@]1(C)C=CCC1)NC(=O)c1ncccc1[O-] ZINC001726072330 1426059955 /nfs/dbraw/zinc/05/99/55/1426059955.db2.gz XKIIPNIXHNPHGZ-LIRRHRJNSA-N -1 1 345.443 2.548 10 0 EFAEMM O=C(c1ccc(OCc2ccccc2)cc1)N1CCC[C@H]1c1nnn[n-]1 ZINC000720643370 1426151001 /nfs/dbraw/zinc/15/10/01/1426151001.db2.gz WYYHNRJMPCZJGY-KRWDZBQOSA-N -1 1 349.394 2.756 10 0 EFAEMM O=C(CCc1nn[n-]n1)Nc1nc2ccccc2n1C1CCCCC1 ZINC001136475764 1426669798 /nfs/dbraw/zinc/66/97/98/1426669798.db2.gz RFAGRBROEJZMHQ-UHFFFAOYSA-N -1 1 339.403 2.626 10 0 EFAEMM CCOc1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1OCC ZINC000354202245 1426924791 /nfs/dbraw/zinc/92/47/91/1426924791.db2.gz BKSBGBQOXVSWPR-UHFFFAOYSA-N -1 1 331.420 2.556 10 0 EFAEMM C[C@H](NC(=O)CCc1nnn[n-]1)c1cccc(SC(F)(F)F)c1 ZINC000924729109 1427079973 /nfs/dbraw/zinc/07/99/73/1427079973.db2.gz HHDSUGLYRZNWDT-QMMMGPOBSA-N -1 1 345.350 2.622 10 0 EFAEMM CCCc1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)ccc1Cl ZINC000913745189 1427205802 /nfs/dbraw/zinc/20/58/02/1427205802.db2.gz SKBJHGYGNXJSOD-UHFFFAOYSA-N -1 1 333.823 2.825 10 0 EFAEMM CCC(=CC(=O)N1CCC[C@H](c2nnn[n-]2)C1)c1ccc(C)cc1 ZINC000129406451 1427206296 /nfs/dbraw/zinc/20/62/96/1427206296.db2.gz UGZUMHYGXKONGR-QBOMHBFWSA-N -1 1 325.416 2.708 10 0 EFAEMM CC(C)[C@@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)c1cccc(Cl)c1 ZINC000155642157 1427614862 /nfs/dbraw/zinc/61/48/62/1427614862.db2.gz WYULTFNVGHWTOX-UKRRQHHQSA-N -1 1 347.850 2.999 10 0 EFAEMM CCOc1cc(Cc2nnn[n-]2)cc(Cl)c1OCC(F)(F)F ZINC000408495096 1427707691 /nfs/dbraw/zinc/70/76/91/1427707691.db2.gz DKSMANKISHVWJE-UHFFFAOYSA-N -1 1 336.701 2.784 10 0 EFAEMM c1c(C2CC2)nn([C@@H]2CCCCO2)c1-c1cncc(-c2nnn[n-]2)c1 ZINC000904776199 1427850448 /nfs/dbraw/zinc/85/04/48/1427850448.db2.gz HUVXWNJAVVZJGS-INIZCTEOSA-N -1 1 337.387 2.702 10 0 EFAEMM Cc1ccccc1CC1CN(C(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC000901000806 1427986136 /nfs/dbraw/zinc/98/61/36/1427986136.db2.gz WPUGHLFVFLUYGR-UHFFFAOYSA-N -1 1 348.410 2.566 10 0 EFAEMM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000354944045 1429934837 /nfs/dbraw/zinc/93/48/37/1429934837.db2.gz UUCDORFVLRXGST-UHFFFAOYSA-N -1 1 349.329 2.648 10 0 EFAEMM C[C@@H](CC(=O)NC1(c2nnn[n-]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000357058634 1430104795 /nfs/dbraw/zinc/10/47/95/1430104795.db2.gz RJYKMWZFRWFYLU-VIFPVBQESA-N -1 1 339.321 2.518 10 0 EFAEMM O=C(CCCc1ccc(Cl)c(Cl)c1)NC1(c2nnn[n-]2)CC1 ZINC000357068091 1430133241 /nfs/dbraw/zinc/13/32/41/1430133241.db2.gz KRWVYBVZPNQCOZ-UHFFFAOYSA-N -1 1 340.214 2.635 10 0 EFAEMM O=C(Nc1cccc2cccnc21)c1cccc(Nc2nn[n-]n2)c1 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CC(C)Oc1ccccc1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079418375 292787960 /nfs/dbraw/zinc/78/79/60/292787960.db2.gz GMDKEZWYCYZKRT-UHFFFAOYSA-N -1 1 337.379 2.640 10 0 EFAEMM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ncccc1[O-] ZINC000124938943 293004306 /nfs/dbraw/zinc/00/43/06/293004306.db2.gz HQXAWMATUJWDQY-UHFFFAOYSA-N -1 1 332.787 2.876 10 0 EFAEMM O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1c([O-])cccc1F ZINC000129341246 293131974 /nfs/dbraw/zinc/13/19/74/293131974.db2.gz ITEVENYHOVVTOD-JTQLQIEISA-N -1 1 335.766 2.588 10 0 EFAEMM COC(=O)c1ccc(CNC(=O)c2c([O-])cccc2F)nc1C1CC1 ZINC000131633616 293203151 /nfs/dbraw/zinc/20/31/51/293203151.db2.gz ZXLLEZNRMYPOHD-UHFFFAOYSA-N -1 1 344.342 2.520 10 0 EFAEMM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000131841197 293210046 /nfs/dbraw/zinc/21/00/46/293210046.db2.gz IQWFRABMDHUCJU-UHFFFAOYSA-N -1 1 341.335 2.861 10 0 EFAEMM CCOC(=O)CC[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000134365851 293287547 /nfs/dbraw/zinc/28/75/47/293287547.db2.gz XXSMBEOGHDGUMY-VIFPVBQESA-N -1 1 344.205 2.616 10 0 EFAEMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000151910543 293308443 /nfs/dbraw/zinc/30/84/43/293308443.db2.gz QTYXPCPPZWXVEK-VXGBXAGGSA-N -1 1 331.441 2.669 10 0 EFAEMM O=C(NCC1(Cc2ccccc2)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000153326524 293370480 /nfs/dbraw/zinc/37/04/80/293370480.db2.gz GFCCFAVTPDCAAL-UHFFFAOYSA-N -1 1 333.391 2.676 10 0 EFAEMM O=C(c1c(F)ccc([O-])c1F)N1CCO[C@@H](c2ccsc2)C1 ZINC000289925626 293948312 /nfs/dbraw/zinc/94/83/12/293948312.db2.gz WANNUGLTMLKMNM-GFCCVEGCSA-N -1 1 325.336 2.946 10 0 EFAEMM CCCc1occc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290379865 294071446 /nfs/dbraw/zinc/07/14/46/294071446.db2.gz NYERQKBXTVRTNV-LLVKDONJSA-N -1 1 346.349 2.763 10 0 EFAEMM Cc1ccccc1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000290483787 294098963 /nfs/dbraw/zinc/09/89/63/294098963.db2.gz MFLWQBLNZFQHRX-OBJOEFQTSA-N -1 1 342.361 2.913 10 0 EFAEMM C[C@H]1CCN(C(=O)Cc2ccsc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290637141 294143091 /nfs/dbraw/zinc/14/30/91/294143091.db2.gz SUUWLUIULFFRLE-KWBADKCTSA-N -1 1 348.390 2.595 10 0 EFAEMM CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000293612168 295011215 /nfs/dbraw/zinc/01/12/15/295011215.db2.gz PSDKCIUMFWQDNL-CQSZACIVSA-N -1 1 329.448 2.558 10 0 EFAEMM COc1cc2nccc(N3CC(C(=O)[O-])C3)c2cc1Br ZINC000424381769 295044960 /nfs/dbraw/zinc/04/49/60/295044960.db2.gz ZOJBPKYQHCQAJD-UHFFFAOYSA-N -1 1 337.173 2.527 10 0 EFAEMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@@H]1C ZINC000293942185 295084093 /nfs/dbraw/zinc/08/40/93/295084093.db2.gz FEXMPZHWMYMPQC-ZIAGYGMSSA-N -1 1 344.436 2.968 10 0 EFAEMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]1C ZINC000294002985 295096511 /nfs/dbraw/zinc/09/65/11/295096511.db2.gz IGJHWUWDRNKPMH-ZIAGYGMSSA-N -1 1 344.436 2.968 10 0 EFAEMM CCc1noc(C)c1CNC(=O)c1ccc(Br)cc1[O-] ZINC000294170871 295122269 /nfs/dbraw/zinc/12/22/69/295122269.db2.gz ZCLGXISYZNOCQG-UHFFFAOYSA-N -1 1 339.189 2.944 10 0 EFAEMM Cc1cnc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)OC(C)(C)C)c([O-])c1 ZINC000425048684 302332538 /nfs/dbraw/zinc/33/25/38/302332538.db2.gz WXEJNGWYYGYOPP-SWLSCSKDSA-N -1 1 334.416 2.678 10 0 EFAEMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N3CCCC3)cn2)c1 ZINC000299068138 311047566 /nfs/dbraw/zinc/04/75/66/311047566.db2.gz FCVGTQDGRBOIKL-UHFFFAOYSA-N -1 1 340.383 2.598 10 0 EFAEMM CC(C)Cc1nsc([N-]c2cnn(CC(=O)NC3CCCC3)c2)n1 ZINC000302291404 311187923 /nfs/dbraw/zinc/18/79/23/311187923.db2.gz NLIHXCMFESDMGV-UHFFFAOYSA-N -1 1 348.476 2.736 10 0 EFAEMM CO[C@@H]1CN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC[C@@H]1C ZINC000302553272 311193103 /nfs/dbraw/zinc/19/31/03/311193103.db2.gz KMJQUCJHHCZMKB-XHDPSFHLSA-N -1 1 328.416 2.722 10 0 EFAEMM Cc1sc2[nH]c(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])nc(=O)c2c1C ZINC000324207481 311241351 /nfs/dbraw/zinc/24/13/51/311241351.db2.gz RWIZKKNRIBMQLA-OQPBUACISA-N -1 1 335.429 2.699 10 0 EFAEMM CC1(C)CCC[C@@H](CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000330708779 311330200 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311950705 /nfs/dbraw/zinc/95/07/05/311950705.db2.gz QPUDYQZUQGOTHK-UHFFFAOYSA-N -1 1 325.343 2.706 10 0 EFAEMM COC(=O)[C@H]1CSCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000412943249 312039977 /nfs/dbraw/zinc/03/99/77/312039977.db2.gz CFMKGQPQMSXVQI-CYBMUJFWSA-N -1 1 345.420 2.524 10 0 EFAEMM CCCn1cc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2OC)cn1 ZINC000417584846 312244189 /nfs/dbraw/zinc/24/41/89/312244189.db2.gz OGXODLMPNXEGRF-OAHLLOKOSA-N -1 1 347.415 2.616 10 0 EFAEMM CCCCOc1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1OC ZINC000417598795 312246377 /nfs/dbraw/zinc/24/63/77/312246377.db2.gz OBXWZMNZTDBWJN-QGZVFWFLSA-N -1 1 347.415 2.523 10 0 EFAEMM Cc1cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)c(OC(F)F)cc1C ZINC000417602578 312246452 /nfs/dbraw/zinc/24/64/52/312246452.db2.gz WAAILQWVDSOVEE-CQSZACIVSA-N -1 1 339.342 2.554 10 0 EFAEMM CCCCCOc1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000417601143 312246652 /nfs/dbraw/zinc/24/66/52/312246652.db2.gz RUUOAJIXKIETJJ-KRWDZBQOSA-N -1 1 331.416 2.905 10 0 EFAEMM O=C(NC1CCCC1)c1ccc(=NCCc2c(F)cccc2F)[n-]n1 ZINC000432142029 312551910 /nfs/dbraw/zinc/55/19/10/312551910.db2.gz CGKFEDXSPPCJJN-UHFFFAOYSA-N -1 1 346.381 2.504 10 0 EFAEMM CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)OC)cc1 ZINC000436189498 312602963 /nfs/dbraw/zinc/60/29/63/312602963.db2.gz UHAFBJYLPVKFDQ-UHFFFAOYSA-N -1 1 337.372 2.976 10 0 EFAEMM COC(=O)C[C@](C)(NC(=O)c1c([O-])cccc1F)c1cccc(F)c1 ZINC000436985946 312606771 /nfs/dbraw/zinc/60/67/71/312606771.db2.gz DVIMJMPAOKGOTK-SFHVURJKSA-N -1 1 349.333 2.879 10 0 EFAEMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000438765667 312623753 /nfs/dbraw/zinc/62/37/53/312623753.db2.gz OYHPNSRXJLRUCA-JOCHJYFZSA-N -1 1 346.433 2.773 10 0 EFAEMM Cc1nc(-c2ccc(N(C)[C@H]3CC[C@H](O)CC3)nc2)[n-]c(=O)c1C ZINC000438904185 312624671 /nfs/dbraw/zinc/62/46/71/312624671.db2.gz YMDWWQAXCBNXFX-SHTZXODSSA-N -1 1 328.416 2.601 10 0 EFAEMM CCOC(=O)c1cc(C(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)on1 ZINC000448605865 312679100 /nfs/dbraw/zinc/67/91/00/312679100.db2.gz RYJUBFWUOYVOAG-QMMMGPOBSA-N -1 1 335.385 2.685 10 0 EFAEMM COc1cc(C(=O)NCCc2scnc2C)cc(Cl)c1[O-] ZINC000456102718 313027724 /nfs/dbraw/zinc/02/77/24/313027724.db2.gz HZKREYKMSDRCRZ-UHFFFAOYSA-N -1 1 326.805 2.792 10 0 EFAEMM CC(C)(C)c1nc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)n[nH]1 ZINC000458020784 313055957 /nfs/dbraw/zinc/05/59/57/313055957.db2.gz GEJWIGONVUOOMA-UHFFFAOYSA-N -1 1 326.759 2.530 10 0 EFAEMM CC1(C)Oc2ccsc2[C@@H](NC(=O)c2ccc([O-])cc2F)[C@@H]1O ZINC000458036584 313060204 /nfs/dbraw/zinc/06/02/04/313060204.db2.gz ACNWDXJLSINDFB-OCCSQVGLSA-N -1 1 337.372 2.596 10 0 EFAEMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000458234794 313090385 /nfs/dbraw/zinc/09/03/85/313090385.db2.gz CVFJFAZVBWMKLF-LLVKDONJSA-N -1 1 333.432 2.982 10 0 EFAEMM C[C@@H](SCc1nc(=O)n(C)[n-]1)c1cccc(Br)c1 ZINC000487887827 313435320 /nfs/dbraw/zinc/43/53/20/313435320.db2.gz PFHAHQFZIQGDGL-MRVPVSSYSA-N -1 1 328.235 2.865 10 0 EFAEMM COc1ccc2nc(CSc3nc(C4CC4)cc(=O)[n-]3)[nH]c2n1 ZINC000515586730 315628281 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CCCC(=O)NCCCN(CC1CCCC1)C(=O)c1ncccc1[O-] ZINC001340808415 1332208062 /nfs/dbraw/zinc/20/80/62/1332208062.db2.gz LILQQLRSSSEDLJ-UHFFFAOYSA-N -1 1 347.459 2.726 10 0 EFAEMM C/C=C(/C)C(=O)NCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001344334587 1332442985 /nfs/dbraw/zinc/44/29/85/1332442985.db2.gz CGWMUCAOXUUNQQ-FHWRGQPKSA-N -1 1 345.443 2.500 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 ZINC001346399708 1332635584 /nfs/dbraw/zinc/63/55/84/1332635584.db2.gz ULGLITPBILXZIX-NSHDSACASA-N -1 1 340.383 2.937 10 0 EFAEMM COc1cnc(C2(NC(=O)CC3=CCCCC3)CCCC2)[n-]c1=O ZINC001347968164 1332789224 /nfs/dbraw/zinc/78/92/24/1332789224.db2.gz PYXDFZKDVJQOIC-UHFFFAOYSA-N -1 1 331.416 2.967 10 0 EFAEMM Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001348166989 1332807256 /nfs/dbraw/zinc/80/72/56/1332807256.db2.gz STXWNQQHSLHXDU-ZDUSSCGKSA-N -1 1 339.399 2.658 10 0 EFAEMM COc1cnc(C(C)(C)NC(=O)CC[C@@H]2CC2(Cl)Cl)[n-]c1=O ZINC001348418301 1332834564 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10 0 EFAEMM CCCN(CCNC(=O)[C@@]1(C)CCC[C@H]1C)C(=O)c1ncccc1[O-] ZINC001387443870 1352136844 /nfs/dbraw/zinc/13/68/44/1352136844.db2.gz KVASHMQMEVSSBS-KUHUBIRLSA-N -1 1 347.459 2.582 10 0 EFAEMM C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(C)C)NC(=O)c1ncccc1[O-] ZINC001370539788 1340124030 /nfs/dbraw/zinc/12/40/30/1340124030.db2.gz QASIOZHENRVESH-KGLIPLIRSA-N -1 1 347.459 2.580 10 0 EFAEMM C[C@H](CN(C)C(=O)[C@H]1CCCCC1(C)C)NC(=O)c1ncccc1[O-] ZINC001370539794 1340124056 /nfs/dbraw/zinc/12/40/56/1340124056.db2.gz QASIOZHENRVESH-ZIAGYGMSSA-N -1 1 347.459 2.580 10 0 EFAEMM CCC(C)(CC)C(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001371223013 1340430125 /nfs/dbraw/zinc/43/01/25/1340430125.db2.gz NHZUFNPAWZROCT-KBPBESRZSA-N -1 1 347.459 2.723 10 0 EFAEMM C[C@H](C[C@H](C)NC(=O)CC1(C)CCCC1)NC(=O)c1ncccc1[O-] ZINC001371284361 1340470603 /nfs/dbraw/zinc/47/06/03/1340470603.db2.gz VWCDTAQYNGREKX-UONOGXRCSA-N -1 1 347.459 2.771 10 0 EFAEMM CC[C@H](NC(=O)NCCc1c(F)cc([O-])cc1F)[C@H]1CCCCO1 ZINC001371446612 1340598591 /nfs/dbraw/zinc/59/85/91/1340598591.db2.gz WCTDUHKIJVWVLX-JKSUJKDBSA-N -1 1 342.386 2.860 10 0 EFAEMM CC(C)C[C@H](C)C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001372738910 1340782649 /nfs/dbraw/zinc/78/26/49/1340782649.db2.gz KLFOIMMWTZHDSC-NFOMZHRRSA-N -1 1 347.459 2.627 10 0 EFAEMM CC(C)c1ccc(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001372835677 1340828586 /nfs/dbraw/zinc/82/85/86/1340828586.db2.gz PABGPZKZBYAVDN-NSHDSACASA-N -1 1 347.440 2.520 10 0 EFAEMM CC[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@@H](O)C(F)(F)F ZINC001417698065 1373162359 /nfs/dbraw/zinc/16/23/59/1373162359.db2.gz GZVGMKOFGAEYHR-PSASIEDQSA-N -1 1 345.239 2.843 10 0 EFAEMM CCCC(CCC)C(=O)NC1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001380331535 1347598581 /nfs/dbraw/zinc/59/85/81/1347598581.db2.gz RCHUSKKAPHWVGG-UHFFFAOYSA-N -1 1 347.459 2.628 10 0 EFAEMM CCCC[C@H](CNC(=O)[C@@H]1CCC1(C)C)NC(=O)c1ncccc1[O-] ZINC001381083760 1348065115 /nfs/dbraw/zinc/06/51/15/1348065115.db2.gz YZBMCPPSSTYLJI-KGLIPLIRSA-N -1 1 347.459 2.628 10 0 EFAEMM CCCC[C@H](CC)C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001381456668 1348287737 /nfs/dbraw/zinc/28/77/37/1348287737.db2.gz NTCADOCYRRWIFZ-KKUMJFAQSA-N -1 1 347.459 2.628 10 0 EFAEMM CC(C)[C@@H](CCNC(=O)[C@H](C)C(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001383563920 1349615825 /nfs/dbraw/zinc/61/58/25/1349615825.db2.gz HMKOOJVRRDSXEQ-UONOGXRCSA-N -1 1 349.475 2.730 10 0 EFAEMM CC(C)CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001384545095 1350192800 /nfs/dbraw/zinc/19/28/00/1350192800.db2.gz XCHUVUDABPSJMC-ZIAGYGMSSA-N -1 1 335.448 2.627 10 0 EFAEMM CC(C)CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001384545085 1350192863 /nfs/dbraw/zinc/19/28/63/1350192863.db2.gz XCHUVUDABPSJMC-KGLIPLIRSA-N -1 1 335.448 2.627 10 0 EFAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCC(C)C ZINC001384639596 1350274933 /nfs/dbraw/zinc/27/49/33/1350274933.db2.gz FOAGAFHQXQSNPV-LSDHHAIUSA-N -1 1 347.459 2.723 10 0 EFAEMM CC[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)c1ncccc1[O-] ZINC001384775328 1350364569 /nfs/dbraw/zinc/36/45/69/1350364569.db2.gz JMPKGDFWKMCWKI-KBPBESRZSA-N -1 1 347.459 2.580 10 0 EFAEMM CC[C@H](C)C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)c1ncccc1[O-] ZINC001384775331 1350364673 /nfs/dbraw/zinc/36/46/73/1350364673.db2.gz JMPKGDFWKMCWKI-UONOGXRCSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001384894817 1350421833 /nfs/dbraw/zinc/42/18/33/1350421833.db2.gz JMECRACTZSXPGR-CABCVRRESA-N -1 1 347.459 2.532 10 0 EFAEMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001384894837 1350422046 /nfs/dbraw/zinc/42/20/46/1350422046.db2.gz JMECRACTZSXPGR-HUUCEWRRSA-N -1 1 347.459 2.532 10 0 EFAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C[C@@H](C)C(C)C ZINC001385029613 1350518942 /nfs/dbraw/zinc/51/89/42/1350518942.db2.gz BDJMPFRAFJAQHE-QLFBSQMISA-N -1 1 347.459 2.579 10 0 EFAEMM CCC[C@](C)(CC)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001385299064 1350705009 /nfs/dbraw/zinc/70/50/09/1350705009.db2.gz XNDVKILZDCJMBQ-LIRRHRJNSA-N -1 1 347.459 2.677 10 0 EFAEMM CC[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001386286533 1351382650 /nfs/dbraw/zinc/38/26/50/1351382650.db2.gz KCBIHLJRIZDSAQ-MELADBBJSA-N -1 1 347.459 2.627 10 0 EFAEMM CC[C@H](CC(=O)N[C@@H](CC)CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001388060035 1352445025 /nfs/dbraw/zinc/44/50/25/1352445025.db2.gz YNDABTHGVLAYLS-KGLIPLIRSA-N -1 1 349.475 2.874 10 0 EFAEMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(C)CCCC1 ZINC001388885988 1353112605 /nfs/dbraw/zinc/11/26/05/1353112605.db2.gz BLTSJJXIQCNKEU-AWEZNQCLSA-N -1 1 347.459 2.628 10 0 EFAEMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ncc2cc(Cl)ccn21 ZINC001436667536 1387275723 /nfs/dbraw/zinc/27/57/23/1387275723.db2.gz JHGGEFQQKKIJHP-UHFFFAOYSA-N -1 1 343.774 2.614 10 0 EFAEMM CC(C)(C)CC(C)(C)C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001393609052 1356999004 /nfs/dbraw/zinc/99/90/04/1356999004.db2.gz CALJHLNSQVMEHF-UHFFFAOYSA-N -1 1 347.459 2.628 10 0 EFAEMM CCCC[C@H](C(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-])C(C)C ZINC001395116350 1358367657 /nfs/dbraw/zinc/36/76/57/1358367657.db2.gz SZSHXWMGTZKZKR-CABCVRRESA-N -1 1 349.475 2.826 10 0 EFAEMM CC(C)[C@@H](CCNC(=O)CCC1(C)CC1)NC(=O)c1ncccc1[O-] ZINC001395474539 1358632680 /nfs/dbraw/zinc/63/26/80/1358632680.db2.gz RXSJZUPZRFHAMK-CQSZACIVSA-N -1 1 347.459 2.628 10 0 EFAEMM CC[C@@H](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001396560230 1359329201 /nfs/dbraw/zinc/32/92/01/1359329201.db2.gz UIZSYKNNSCTEHN-QLFBSQMISA-N -1 1 347.459 2.628 10 0 EFAEMM CCC[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1CC ZINC001396576797 1359344896 /nfs/dbraw/zinc/34/48/96/1359344896.db2.gz BPXGFOYFCWMLLA-QLFBSQMISA-N -1 1 347.459 2.723 10 0 EFAEMM CCC[C@@](C)(CC)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001397074026 1359652214 /nfs/dbraw/zinc/65/22/14/1359652214.db2.gz XBEXLRMHBUPRKV-AUUYWEPGSA-N -1 1 347.459 2.628 10 0 EFAEMM CC[C@@H](C)CC(=O)N1CCC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC001397088550 1359666424 /nfs/dbraw/zinc/66/64/24/1359666424.db2.gz YSTMSXWJORESTG-CABCVRRESA-N -1 1 347.459 2.534 10 0 EFAEMM CC[C@H](C)CC(=O)N1CCC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC001397088563 1359666468 /nfs/dbraw/zinc/66/64/68/1359666468.db2.gz YSTMSXWJORESTG-GJZGRUSLSA-N -1 1 347.459 2.534 10 0 EFAEMM CCC[C@@H](C)CC(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001397354263 1359860509 /nfs/dbraw/zinc/86/05/09/1359860509.db2.gz HJUFWRQQELKEOK-WLYUNCDWSA-N -1 1 347.459 2.771 10 0 EFAEMM CCCN(CCNC(=O)[C@H]1CCCC[C@H]1C)C(=O)c1ncccc1[O-] ZINC001398263969 1360427854 /nfs/dbraw/zinc/42/78/54/1360427854.db2.gz RFEIVJURGWYSCS-CABCVRRESA-N -1 1 347.459 2.582 10 0 EFAEMM CCC[C@@H](CC)C(=O)N(CC)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398845170 1360830541 /nfs/dbraw/zinc/83/05/41/1360830541.db2.gz FZBZUTGMKMAKMZ-CABCVRRESA-N -1 1 347.459 2.677 10 0 EFAEMM CCC[C@@H](CC)C(=O)N(CC)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398845172 1360830762 /nfs/dbraw/zinc/83/07/62/1360830762.db2.gz FZBZUTGMKMAKMZ-HUUCEWRRSA-N -1 1 347.459 2.677 10 0 EFAEMM CC[C@@H](C)[C@H](C)C(=O)NC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC001399147578 1361030561 /nfs/dbraw/zinc/03/05/61/1361030561.db2.gz GWQHIUGNNZBRLD-KGLIPLIRSA-N -1 1 347.459 2.628 10 0 EFAEMM CC[C@H](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001404065393 1365223742 /nfs/dbraw/zinc/22/37/42/1365223742.db2.gz BTZMBWGCUHJSIA-LSDHHAIUSA-N -1 1 347.459 2.677 10 0 EFAEMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)C(C)=C1CCCC1 ZINC001492939745 1366060862 /nfs/dbraw/zinc/06/08/62/1366060862.db2.gz WJCSXECFNUJVCT-UHFFFAOYSA-N -1 1 345.443 2.646 10 0 EFAEMM CCC[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001406305634 1367458995 /nfs/dbraw/zinc/45/89/95/1367458995.db2.gz CORRYYAZPREQAG-PJIJBLCYSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCC[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001406689578 1367926663 /nfs/dbraw/zinc/92/66/63/1367926663.db2.gz JNGPJFLGFZXLGJ-QLFBSQMISA-N -1 1 347.459 2.723 10 0 EFAEMM C[C@H](CCC(C)(C)C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001407879389 1369342466 /nfs/dbraw/zinc/34/24/66/1369342466.db2.gz URMGXVFODBMASM-MCIONIFRSA-N -1 1 347.459 2.627 10 0 EFAEMM CCC[C@@H](CNC(=O)NCCc1c(F)cc([O-])cc1F)OCC ZINC001414699680 1370604839 /nfs/dbraw/zinc/60/48/39/1370604839.db2.gz DEQXLJGVQFQTGH-LBPRGKRZSA-N -1 1 330.375 2.717 10 0 EFAEMM O=C(NCc1ccc([O-])c(Cl)c1)NC[C@@H]1Cc2ccccc2O1 ZINC001414700168 1370604875 /nfs/dbraw/zinc/60/48/75/1370604875.db2.gz VGDKDKCDJRBNMS-ZDUSSCGKSA-N -1 1 332.787 2.849 10 0 EFAEMM C[C@H](CC(C)(C)C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001415959092 1371778312 /nfs/dbraw/zinc/77/83/12/1371778312.db2.gz JROLTGAXXWOAQQ-KGLIPLIRSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)(C)C(C)(C)C(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001416401526 1372086280 /nfs/dbraw/zinc/08/62/80/1372086280.db2.gz AQXLPDKBECADHQ-CYBMUJFWSA-N -1 1 347.459 2.580 10 0 EFAEMM CCc1ncc(Cl)c(C(=O)[N-]c2nc(CC(C)C)ns2)n1 ZINC001417564237 1373039515 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CC/C(C)=C\C(=O)N1CCC(C)(CNC(=O)c2ncccc2[O-])CC1 ZINC001506654693 1406107484 /nfs/dbraw/zinc/10/74/84/1406107484.db2.gz WKEJIVZQPFMRJP-OWBHPGMISA-N -1 1 345.443 2.502 10 0 EFAEMM C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001508547248 1407523653 /nfs/dbraw/zinc/52/36/53/1407523653.db2.gz YGSVMGCVQCIKMA-QWHCGFSZSA-N -1 1 349.475 2.873 10 0 EFAEMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)NC(=O)C(C)(C)CC(C)(C)C ZINC001508547243 1407524045 /nfs/dbraw/zinc/52/40/45/1407524045.db2.gz YGSVMGCVQCIKMA-CHWSQXEVSA-N -1 1 349.475 2.873 10 0 EFAEMM CC[C@@H](C)[C@H](C)C(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-] ZINC001508688220 1407613053 /nfs/dbraw/zinc/61/30/53/1407613053.db2.gz QEDQHVFKZVZAFA-KGLIPLIRSA-N -1 1 349.475 2.684 10 0 EFAEMM CCC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001509571985 1408042030 /nfs/dbraw/zinc/04/20/30/1408042030.db2.gz FTOITDBIASJPHA-CQSZACIVSA-N -1 1 347.459 2.580 10 0 EFAEMM C[C@@H](CCCNC(=O)C1CCC=CCC1)NC(=O)c1ncccc1[O-] ZINC001510001231 1408204243 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O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001556591917 1415077572 /nfs/dbraw/zinc/07/75/72/1415077572.db2.gz PVDYQXVOPURXRX-CYBMUJFWSA-N -1 1 336.269 2.941 10 0 EFAEMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001556592596 1415077821 /nfs/dbraw/zinc/07/78/21/1415077821.db2.gz UGXPQBCJIMSFEC-LBPRGKRZSA-N -1 1 346.333 2.658 10 0 EFAEMM CCOC(=O)c1cnc(C)c(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001556591750 1415077917 /nfs/dbraw/zinc/07/79/17/1415077917.db2.gz JANRVGBKJJPRMX-UHFFFAOYSA-N -1 1 336.294 2.803 10 0 EFAEMM O=C(Nc1ccc([O-])c(F)c1F)c1cccc(OCC(F)F)n1 ZINC001556591509 1415078011 /nfs/dbraw/zinc/07/80/11/1415078011.db2.gz ALPBZCLHJYLEKP-UHFFFAOYSA-N -1 1 330.237 2.962 10 0 EFAEMM CCn1cc(-c2nn(C)cc2C(=O)Nc2ccc([O-])c(F)c2F)cn1 ZINC001556592649 1415078087 /nfs/dbraw/zinc/07/80/87/1415078087.db2.gz WUVURFCTDSXFNU-UHFFFAOYSA-N -1 1 347.325 2.540 10 0 EFAEMM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001556790300 1415088958 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COCC[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1cccnc1 ZINC001558176506 1415164706 /nfs/dbraw/zinc/16/47/06/1415164706.db2.gz FNBHOKDIMQYGST-INIZCTEOSA-N -1 1 337.379 2.843 10 0 EFAEMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1COc2ccc(O)cc2O1 ZINC001558644691 1415193205 /nfs/dbraw/zinc/19/32/05/1415193205.db2.gz UNCLWAZIZXJQJU-CQSZACIVSA-N -1 1 339.706 2.669 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2nn(C)c3ccccc23)c1 ZINC001558780596 1415201756 /nfs/dbraw/zinc/20/17/56/1415201756.db2.gz FVNGYMUFLFLSIQ-UHFFFAOYSA-N -1 1 336.351 2.656 10 0 EFAEMM O=C(Nc1ccc(F)cc1[O-])c1cc2c(cc1Cl)NC(=O)CO2 ZINC001558955725 1415213830 /nfs/dbraw/zinc/21/38/30/1415213830.db2.gz GYCHSTHNWYJKFW-UHFFFAOYSA-N -1 1 336.706 2.768 10 0 EFAEMM O=C(Nc1ccc(F)cc1[O-])c1cnc2cc(F)c(F)cc2c1O ZINC001558956002 1415214009 /nfs/dbraw/zinc/21/40/09/1415214009.db2.gz SJCLFSPZBHJOFS-UHFFFAOYSA-N -1 1 334.253 2.903 10 0 EFAEMM CCN(CCCNC(=O)c1ccc(F)c([O-])c1)C(=O)OC(C)(C)C ZINC001565609258 1415407063 /nfs/dbraw/zinc/40/70/63/1415407063.db2.gz KCTNSSMYUZZXMQ-UHFFFAOYSA-N -1 1 340.395 2.908 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCOc3cc(F)ccc32)c1 ZINC001565748457 1415413919 /nfs/dbraw/zinc/41/39/19/1415413919.db2.gz GGNBHIQSQCLZEB-UHFFFAOYSA-N -1 1 342.326 2.695 10 0 EFAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NC[C@@H](O)c3ccco3)c2)o1 ZINC001566328883 1415540757 /nfs/dbraw/zinc/54/07/57/1415540757.db2.gz HJXOXGVMIKLSSC-OAHLLOKOSA-N -1 1 341.319 2.521 10 0 EFAEMM CC(C)[C@H]1CN(C(=O)c2cccc(Nc3nn[n-]n3)c2)[C@H]1C(C)C ZINC000909055995 1428965808 /nfs/dbraw/zinc/96/58/08/1428965808.db2.gz ICDJVIOTLXRVCH-CABCVRRESA-N -1 1 328.420 2.696 10 0 EFAEMM O=C([N-]N1CCc2ccccc2C1=O)c1ccnc(Cl)c1Cl ZINC001566764246 1415767512 /nfs/dbraw/zinc/76/75/12/1415767512.db2.gz UMPMGIAYAUIFNH-UHFFFAOYSA-N -1 1 336.178 2.732 10 0 EFAEMM Cc1cc(NC(=O)C(=O)c2ccc([O-])cc2)cnc1Br ZINC001566804911 1415780775 /nfs/dbraw/zinc/78/07/75/1415780775.db2.gz VPTRZJHJDSAQAE-UHFFFAOYSA-N -1 1 335.157 2.680 10 0 EFAEMM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cnncc1O ZINC001567092354 1415930816 /nfs/dbraw/zinc/93/08/16/1415930816.db2.gz ITRHUSVQPXAEDC-UHFFFAOYSA-N -1 1 344.552 2.556 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc3c(cc2C)OCO3)c1 ZINC001567461220 1416148184 /nfs/dbraw/zinc/14/81/84/1416148184.db2.gz SCHIOWGPQIYCRW-UHFFFAOYSA-N -1 1 340.335 2.806 10 0 EFAEMM COc1ccccc1CO[N-]C(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC001568249312 1416454867 /nfs/dbraw/zinc/45/48/67/1416454867.db2.gz UKANKAYKTWFWQU-UHFFFAOYSA-N -1 1 338.363 2.740 10 0 EFAEMM C[C@@H]1c2ccccc2OCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001645929994 1416585809 /nfs/dbraw/zinc/58/58/09/1416585809.db2.gz AACOXUZVMWIDTL-LLVKDONJSA-N -1 1 340.408 2.614 10 0 EFAEMM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c(F)c1F ZINC001646028549 1416603125 /nfs/dbraw/zinc/60/31/25/1416603125.db2.gz LINCQDDQGFXVGF-KXUCPTDWSA-N -1 1 337.338 2.985 10 0 EFAEMM O=C(NC1(C2CC2)CCOCC1)c1c([O-])cnc2c(F)cccc21 ZINC001646245366 1416638026 /nfs/dbraw/zinc/63/80/26/1416638026.db2.gz PVOHLHMRDIXWBT-UHFFFAOYSA-N -1 1 330.359 2.769 10 0 EFAEMM O=C(c1ncccc1[O-])N1CC(Cc2ccc(Br)cc2)C1 ZINC001646344698 1416650697 /nfs/dbraw/zinc/65/06/97/1416650697.db2.gz ZWWRXTHQHYAWIV-UHFFFAOYSA-N -1 1 347.212 2.864 10 0 EFAEMM Cc1ccoc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[nH]n1 ZINC001646347664 1416651028 /nfs/dbraw/zinc/65/10/28/1416651028.db2.gz LYOFKYNFHJYGRX-UHFFFAOYSA-N -1 1 325.324 2.920 10 0 EFAEMM CN(CCCCCCNC(=O)[C@@H]1CC1(C)C)C(=O)c1ncccc1[O-] ZINC001684844914 1416732870 /nfs/dbraw/zinc/73/28/70/1416732870.db2.gz NTACIELWLVKJEN-AWEZNQCLSA-N -1 1 347.459 2.582 10 0 EFAEMM COc1cccc(C(C)=CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000751380410 1429136499 /nfs/dbraw/zinc/13/64/99/1429136499.db2.gz MWVAFOZPQCAUAY-IYPOZPNPSA-N -1 1 349.394 2.517 10 0 EFAEMM CCCCCC(=O)N1CCC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC001687973815 1416910425 /nfs/dbraw/zinc/91/04/25/1416910425.db2.gz ZWFSKVZHFURWNC-HNNXBMFYSA-N -1 1 347.459 2.678 10 0 EFAEMM CC[C@@H](C)CCCCC(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001704573561 1417989935 /nfs/dbraw/zinc/98/99/35/1417989935.db2.gz CKIQWFQWOIYODT-CQSZACIVSA-N -1 1 347.459 2.582 10 0 EFAEMM C/C=C(\C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CCCCC1 ZINC001704805027 1418157252 /nfs/dbraw/zinc/15/72/52/1418157252.db2.gz VRLOTJGXODNCDP-JMFZVXOESA-N -1 1 345.443 2.548 10 0 EFAEMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)=O)cc1C ZINC000243056138 1419179681 /nfs/dbraw/zinc/17/96/81/1419179681.db2.gz IHSMEYNAQVMQRB-UHFFFAOYSA-N -1 1 334.397 2.763 10 0 EFAEMM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000358414725 1429543447 /nfs/dbraw/zinc/54/34/47/1429543447.db2.gz QBAJOXGTKHYDBZ-UKRRQHHQSA-N -1 1 345.447 2.743 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001718729868 1422447183 /nfs/dbraw/zinc/44/71/83/1422447183.db2.gz PPROBUZSDHXBNM-HUUCEWRRSA-N -1 1 345.443 2.643 10 0 EFAEMM C[C@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)/C=C/C(C)(C)C ZINC001719009578 1422621931 /nfs/dbraw/zinc/62/19/31/1422621931.db2.gz BBLOCXJKUAVQDO-PLSXKVAHSA-N -1 1 347.459 2.794 10 0 EFAEMM CCC1(C(=O)N[C@@H](C)CCCCNC(=O)c2ncccc2[O-])CCC1 ZINC001719025834 1422638678 /nfs/dbraw/zinc/63/86/78/1422638678.db2.gz XGWMAOPQDXJFIQ-AWEZNQCLSA-N -1 1 347.459 2.772 10 0 EFAEMM CCCC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001719519439 1422738992 /nfs/dbraw/zinc/73/89/92/1422738992.db2.gz NRTPDWRSIFZPIS-HUUCEWRRSA-N -1 1 347.459 2.724 10 0 EFAEMM CN(CCCNC(=O)CC1(C)CCCCC1)C(=O)c1ncccc1[O-] ZINC001720525107 1422995874 /nfs/dbraw/zinc/99/58/74/1422995874.db2.gz XCLUXJXCQSHEBJ-UHFFFAOYSA-N -1 1 347.459 2.726 10 0 EFAEMM CC[C@@H](C)[C@@H](C)C(=O)NCCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001720666669 1423127230 /nfs/dbraw/zinc/12/72/30/1423127230.db2.gz YTVHXBHNGACECB-ZIAGYGMSSA-N -1 1 347.459 2.580 10 0 EFAEMM CCOC(=O)c1ccc([N-]S(=O)(=O)CCC(F)(F)F)cc1 ZINC000171329469 1423207566 /nfs/dbraw/zinc/20/75/66/1423207566.db2.gz STYBPEMAKIPKAT-UHFFFAOYSA-N -1 1 325.308 2.557 10 0 EFAEMM CC/C=C(/C)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001720858216 1423257261 /nfs/dbraw/zinc/25/72/61/1423257261.db2.gz GZANIDUSDPGZLK-KWLXYHDNSA-N -1 1 345.443 2.500 10 0 EFAEMM Cc1ccccc1C1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CC1 ZINC000120654409 1423296867 /nfs/dbraw/zinc/29/68/67/1423296867.db2.gz OTTWRVOLNZMANN-UHFFFAOYSA-N -1 1 333.395 2.769 10 0 EFAEMM CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1c(C)noc1C ZINC000130491243 1423355472 /nfs/dbraw/zinc/35/54/72/1423355472.db2.gz TWSNESZFGQCCPJ-ZDUSSCGKSA-N -1 1 326.360 2.604 10 0 EFAEMM CCC(CC)C(=O)N1CCC[C@@H]1CCCNC(=O)c1ncccc1[O-] ZINC001721044522 1423422988 /nfs/dbraw/zinc/42/29/88/1423422988.db2.gz PYPLKLCWBNGFGA-HNNXBMFYSA-N -1 1 347.459 2.724 10 0 EFAEMM COc1c(C)cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC000180375897 1423485171 /nfs/dbraw/zinc/48/51/71/1423485171.db2.gz FLLPVQXLVCVVFM-UHFFFAOYSA-N -1 1 337.383 2.668 10 0 EFAEMM CCC[C@H](NC(=O)c1sc(C2CCCC2)nc1C)c1nnn[n-]1 ZINC000136677377 1423590970 /nfs/dbraw/zinc/59/09/70/1423590970.db2.gz WOYPDKUEXYOSHC-NSHDSACASA-N -1 1 334.449 2.893 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)c(F)c1 ZINC000158082866 1423762205 /nfs/dbraw/zinc/76/22/05/1423762205.db2.gz HVAGMFWLVZXRKL-UHFFFAOYSA-N -1 1 331.738 2.835 10 0 EFAEMM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000310262338 1423797664 /nfs/dbraw/zinc/79/76/64/1423797664.db2.gz HXXYRUHPKAJNGJ-WDEREUQCSA-N -1 1 332.408 2.580 10 0 EFAEMM Cc1cc(Cl)cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1N ZINC001142020119 1423857938 /nfs/dbraw/zinc/85/79/38/1423857938.db2.gz YELSDNXUJLCATK-UHFFFAOYSA-N -1 1 346.753 2.802 10 0 EFAEMM Cn1c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc2ccccc21 ZINC000135577804 1423908452 /nfs/dbraw/zinc/90/84/52/1423908452.db2.gz FVYGYZAAGFZWCA-UHFFFAOYSA-N -1 1 332.367 2.535 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc2ncccc21 ZINC000120788329 1424114820 /nfs/dbraw/zinc/11/48/20/1424114820.db2.gz XXDRJAYDIWOFOW-UHFFFAOYSA-N -1 1 330.351 2.591 10 0 EFAEMM CCCCCC[C@@H](C)C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001722040329 1424139575 /nfs/dbraw/zinc/13/95/75/1424139575.db2.gz KVBRESDFZZLVDB-HUUCEWRRSA-N -1 1 347.459 2.724 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1OCC1CC1 ZINC000136993325 1424182543 /nfs/dbraw/zinc/18/25/43/1424182543.db2.gz TZZRHOPEEGDPIJ-UHFFFAOYSA-N -1 1 349.394 2.832 10 0 EFAEMM CCC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nnn[n-]1 ZINC000176765695 1424217488 /nfs/dbraw/zinc/21/74/88/1424217488.db2.gz YBSCUCYJODOIME-GFCCVEGCSA-N -1 1 329.335 2.870 10 0 EFAEMM O=C(CCSc1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110001882 1424244655 /nfs/dbraw/zinc/24/46/55/1424244655.db2.gz XOULSDRKQQFKMN-UHFFFAOYSA-N -1 1 339.424 2.665 10 0 EFAEMM CC/C(C)=C/C(=O)NCC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001722243820 1424297030 /nfs/dbraw/zinc/29/70/30/1424297030.db2.gz YCPUVJYAVCMRDU-WYMLVPIESA-N -1 1 345.443 2.502 10 0 EFAEMM CC(C)(C)OC(=O)Nc1cc(Cl)ccc1OCc1nnn[n-]1 ZINC000166854871 1424342037 /nfs/dbraw/zinc/34/20/37/1424342037.db2.gz UYSJXESRRMDOIR-UHFFFAOYSA-N -1 1 325.756 2.779 10 0 EFAEMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Nc1cccc(-c2nnn[n-]2)c1 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O=C(CCCc1ccc2c(c1)CCCC2)NC1(c2nn[n-]n2)CCC1 ZINC001363815712 1337066413 /nfs/dbraw/zinc/06/64/13/1337066413.db2.gz BKVXZWLCWGSTJL-UHFFFAOYSA-N -1 1 339.443 2.597 10 0 EFAEMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)CC1CC(C)(C)C1 ZINC001387415440 1352114802 /nfs/dbraw/zinc/11/48/02/1352114802.db2.gz CICWFFYSALYQPA-UHFFFAOYSA-N -1 1 347.459 2.582 10 0 EFAEMM CCCN(CCNC(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)c1ncccc1[O-] ZINC001387446285 1352138956 /nfs/dbraw/zinc/13/89/56/1352138956.db2.gz JSFCSHGRDVXXLU-HUUCEWRRSA-N -1 1 347.459 2.582 10 0 EFAEMM CCCN(CCNC(=O)[C@]1(C)CCC[C@@H]1C)C(=O)c1ncccc1[O-] ZINC001387443868 1352136913 /nfs/dbraw/zinc/13/69/13/1352136913.db2.gz KVASHMQMEVSSBS-IFXJQAMLSA-N -1 1 347.459 2.582 10 0 EFAEMM CCCC[C@H](CC)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001387643338 1352277704 /nfs/dbraw/zinc/27/77/04/1352277704.db2.gz YTLPRPYTVJJTOZ-GJZGRUSLSA-N -1 1 347.459 2.724 10 0 EFAEMM CCC(CC)C(=O)N(CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001371058722 1340334932 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347.459 2.582 10 0 EFAEMM CC(C)C[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-] ZINC001380545204 1347751026 /nfs/dbraw/zinc/75/10/26/1347751026.db2.gz ZPGNLLRCBDFIIE-CQSZACIVSA-N -1 1 349.475 2.684 10 0 EFAEMM CC(C)C[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-] ZINC001380545202 1347751053 /nfs/dbraw/zinc/75/10/53/1347751053.db2.gz ZPGNLLRCBDFIIE-AWEZNQCLSA-N -1 1 349.475 2.684 10 0 EFAEMM CCCC[C@@H](CNC(=O)[C@@H]1CCC1(C)C)NC(=O)c1ncccc1[O-] ZINC001381083758 1348065222 /nfs/dbraw/zinc/06/52/22/1348065222.db2.gz YZBMCPPSSTYLJI-KBPBESRZSA-N -1 1 347.459 2.628 10 0 EFAEMM CCCC[C@@H](CC)C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001381456670 1348287883 /nfs/dbraw/zinc/28/78/83/1348287883.db2.gz NTCADOCYRRWIFZ-RBSFLKMASA-N -1 1 347.459 2.628 10 0 EFAEMM CC(C)[C@H](C)CC(=O)N[C@H](CCNC(=O)c1ncccc1[O-])C(C)C ZINC001381621542 1348410735 /nfs/dbraw/zinc/41/07/35/1348410735.db2.gz CFGLNDXRVKKJLJ-HUUCEWRRSA-N -1 1 349.475 2.730 10 0 EFAEMM CCC[C@@H](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001382608374 1349049419 /nfs/dbraw/zinc/04/94/19/1349049419.db2.gz JXNKYURZHXRQAX-HUUCEWRRSA-N -1 1 347.459 2.677 10 0 EFAEMM CC(C)N(CCN(C)C(=O)CC(C)(C)C)C(=O)c1ncccc1[O-] ZINC001383159180 1349348622 /nfs/dbraw/zinc/34/86/22/1349348622.db2.gz UMMQPFMRLKTSFE-UHFFFAOYSA-N -1 1 335.448 2.532 10 0 EFAEMM CCC(C)(C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCCC1 ZINC001383194199 1349379922 /nfs/dbraw/zinc/37/99/22/1349379922.db2.gz BKMNRYBAYCZCPE-UHFFFAOYSA-N -1 1 347.459 2.772 10 0 EFAEMM CCC(CC)(CC)C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001383459968 1349547420 /nfs/dbraw/zinc/54/74/20/1349547420.db2.gz OOKZRCOFZFBDPE-HDJSIYSDSA-N -1 1 347.459 2.628 10 0 EFAEMM CCC[C@](C)(CC)C(=O)NC[C@@H](C)N(CC)C(=O)c1ncccc1[O-] ZINC001383832085 1349800734 /nfs/dbraw/zinc/80/07/34/1349800734.db2.gz WNWKBRDGLVCLNR-KUHUBIRLSA-N -1 1 349.475 2.970 10 0 EFAEMM CC(C)N(CCN(C)C(=O)c1ncccc1[O-])C(=O)CCC1(C)CC1 ZINC001384320409 1350015436 /nfs/dbraw/zinc/01/54/36/1350015436.db2.gz IVKSBPXVBWCBIB-UHFFFAOYSA-N -1 1 347.459 2.677 10 0 EFAEMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001384633687 1350267858 /nfs/dbraw/zinc/26/78/58/1350267858.db2.gz WUFFGCVEZANPAS-ZIAGYGMSSA-N -1 1 347.459 2.580 10 0 EFAEMM CCC(C)(CC)C(=O)NCCC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001384663189 1350295526 /nfs/dbraw/zinc/29/55/26/1350295526.db2.gz NLTSHQGXORKQGY-UHFFFAOYSA-N -1 1 347.459 2.630 10 0 EFAEMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC001385039180 1350529554 /nfs/dbraw/zinc/52/95/54/1350529554.db2.gz ZJQDYPMIVUNNPT-HZSPNIEDSA-N -1 1 347.459 2.579 10 0 EFAEMM CC[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001385098476 1350579927 /nfs/dbraw/zinc/57/99/27/1350579927.db2.gz QMHDUJDZDYXPRR-ZIAGYGMSSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)(C)CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001385565543 1350911592 /nfs/dbraw/zinc/91/15/92/1350911592.db2.gz BCKRIDHROOJFKW-ZDUSSCGKSA-N -1 1 347.459 2.580 10 0 EFAEMM 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330.338 2.851 10 0 EFAEMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)n1 ZINC001417447956 1372827271 /nfs/dbraw/zinc/82/72/71/1372827271.db2.gz ZAWGPOQYUREGKB-KGLIPLIRSA-N -1 1 327.384 2.965 10 0 EFAEMM CCOC(=O)c1nc(NC(=O)CC2CCC(OC)CC2)[n-]c1Cl ZINC001417583579 1373062079 /nfs/dbraw/zinc/06/20/79/1373062079.db2.gz MIOXUKWKGQBMMB-UHFFFAOYSA-N -1 1 343.811 2.774 10 0 EFAEMM CCOC(=O)c1nc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[n-]c1Cl ZINC001417583491 1373062416 /nfs/dbraw/zinc/06/24/16/1373062416.db2.gz JAQWGWVOJZCEIT-GRYCIOLGSA-N -1 1 345.786 2.764 10 0 EFAEMM CCOC(=O)c1nc(NC(=O)c2ccc(C(C)=O)cc2)[n-]c1Cl ZINC001417583704 1373062467 /nfs/dbraw/zinc/06/24/67/1373062467.db2.gz QJAYIEQENPBSHK-UHFFFAOYSA-N -1 1 335.747 2.695 10 0 EFAEMM CCOc1c(OC)cc(CNC(=O)c2ccc(F)c([O-])c2)cc1OC ZINC001417621493 1373100928 /nfs/dbraw/zinc/10/09/28/1373100928.db2.gz MJYKJBNZXJSXPV-UHFFFAOYSA-N -1 1 349.358 2.877 10 0 EFAEMM Cc1c(NC(=O)c2cc(C(=O)OC(C)(C)C)n[n-]2)n[nH]c1C1CC1 ZINC001417632608 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Cc1ccc(CN(C)C[C@@H](C)NC(=O)c2ncccc2[O-])c(Cl)c1 ZINC001420569977 1377220017 /nfs/dbraw/zinc/22/00/17/1377220017.db2.gz BQMGHEBRRVJEAQ-CYBMUJFWSA-N -1 1 347.846 2.999 10 0 EFAEMM CC[C@@H](C)CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCCCC1 ZINC001424401652 1382990418 /nfs/dbraw/zinc/99/04/18/1382990418.db2.gz FESYXUJEGDXKAR-CQSZACIVSA-N -1 1 347.459 2.772 10 0 EFAEMM CC[C@@H](C)CCC(=O)N(C)CCN(C(=O)c1ncccc1[O-])C(C)C ZINC001425940965 1383880987 /nfs/dbraw/zinc/88/09/87/1383880987.db2.gz YUCVVMGUDXKWHJ-OAHLLOKOSA-N -1 1 349.475 2.923 10 0 EFAEMM CC[C@@H](CC(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-])C(C)(C)C ZINC001426755155 1384538370 /nfs/dbraw/zinc/53/83/70/1384538370.db2.gz OQRRQNKAKTYEGI-KGLIPLIRSA-N -1 1 349.475 2.826 10 0 EFAEMM CC[C@@H]1[C@@H](NC(=O)CCCC(C)C)CCN1C(=O)c1ncccc1[O-] ZINC001426979618 1384692713 /nfs/dbraw/zinc/69/27/13/1384692713.db2.gz ULJZZYLTMXYOBD-LSDHHAIUSA-N -1 1 347.459 2.723 10 0 EFAEMM CCCCC(=O)N1CC(C)(C)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001427094165 1384757693 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CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)CCC1CCCC1 ZINC001471796282 1397208921 /nfs/dbraw/zinc/20/89/21/1397208921.db2.gz AQNDYZZLECBSIH-CYBMUJFWSA-N -1 1 334.420 2.615 10 0 EFAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)CCC1CCCC1 ZINC001471796282 1397208924 /nfs/dbraw/zinc/20/89/24/1397208924.db2.gz AQNDYZZLECBSIH-CYBMUJFWSA-N -1 1 334.420 2.615 10 0 EFAEMM COC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C1CCCC1 ZINC001471908942 1397222270 /nfs/dbraw/zinc/22/22/70/1397222270.db2.gz KMBNLNSKTGJYIT-CYBMUJFWSA-N -1 1 325.792 2.897 10 0 EFAEMM Cc1cc(CO)cc(C)c1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001471946723 1397225410 /nfs/dbraw/zinc/22/54/10/1397225410.db2.gz AENKGZQCUGPIFE-UHFFFAOYSA-N -1 1 336.391 2.980 10 0 EFAEMM CCOC(=O)c1cccc2nc(NC(=O)c3ccc(F)cc3[O-])[nH]c21 ZINC001472630882 1397263752 /nfs/dbraw/zinc/26/37/52/1397263752.db2.gz LKGYULPHVZSNSF-UHFFFAOYSA-N -1 1 343.314 2.837 10 0 EFAEMM Cc1cc(NC(=O)C2=C([O-])C(C)N=N2)ccc1N1CCSCC1 ZINC001546197661 1397314148 /nfs/dbraw/zinc/31/41/48/1397314148.db2.gz OOQBBFVASSTXMH-UHFFFAOYSA-N -1 1 332.429 2.538 10 0 EFAEMM C[C@@H](O)[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001479211627 1397620121 /nfs/dbraw/zinc/62/01/21/1397620121.db2.gz MLWNITQRUBIJKO-BDJLRTHQSA-N -1 1 334.803 2.967 10 0 EFAEMM CCCCC[C@H](CC)C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001494206416 1399212292 /nfs/dbraw/zinc/21/22/92/1399212292.db2.gz PMBSVTLRPDCDQX-SOUVJXGZSA-N -1 1 347.459 2.771 10 0 EFAEMM CCCOc1ccc(Br)cc1CN[C@@H](C)c1nnn[n-]1 ZINC000044925730 1424137311 /nfs/dbraw/zinc/13/73/11/1424137311.db2.gz NNUNRYHAPPGMBG-VIFPVBQESA-N -1 1 340.225 2.602 10 0 EFAEMM CC[C@](C)(NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(=O)OC ZINC001546253022 1400805310 /nfs/dbraw/zinc/80/53/10/1400805310.db2.gz LGWYZJODAWIDPO-SFHVURJKSA-N -1 1 345.351 2.536 10 0 EFAEMM CC(C)C[C@@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001499846352 1402815107 /nfs/dbraw/zinc/81/51/07/1402815107.db2.gz KLFOIMMWTZHDSC-RBSFLKMASA-N -1 1 347.459 2.627 10 0 EFAEMM CCCCCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001501310194 1403540139 /nfs/dbraw/zinc/54/01/39/1403540139.db2.gz VTBKGTYAUHUFFN-GJZGRUSLSA-N -1 1 347.459 2.772 10 0 EFAEMM CC(C)(C)CC(C)(C)C(=O)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001501813755 1403794092 /nfs/dbraw/zinc/79/40/92/1403794092.db2.gz QLNBEEMTZFTOKS-VOTSOKGWSA-N -1 1 347.459 2.652 10 0 EFAEMM CCC(CC)(CC)C(=O)NC1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001508419326 1407459839 /nfs/dbraw/zinc/45/98/39/1407459839.db2.gz IBZTWOWJNNLTBE-UHFFFAOYSA-N -1 1 347.459 2.628 10 0 EFAEMM CC(C)CCCCC(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001509009727 1407763806 /nfs/dbraw/zinc/76/38/06/1407763806.db2.gz SWFAOGCKFNZQJA-CQSZACIVSA-N -1 1 335.448 2.580 10 0 EFAEMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)/C=C\C(C)(C)C ZINC001509306339 1407893743 /nfs/dbraw/zinc/89/37/43/1407893743.db2.gz XVZIARXIUPRKBD-IWMPZKFUSA-N -1 1 347.459 2.794 10 0 EFAEMM CCC(C)(C)CC(=O)NCCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001510006399 1408205792 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COc1ccc2[nH]c([C@H](C)NC(=O)c3cc(F)ccc3[O-])nc2c1 ZINC001556294565 1415062227 /nfs/dbraw/zinc/06/22/27/1415062227.db2.gz GGMFNDLYQPEXIY-VIFPVBQESA-N -1 1 329.331 2.907 10 0 EFAEMM COC(=O)Nc1cccc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)c1C ZINC001556418641 1415068595 /nfs/dbraw/zinc/06/85/95/1415068595.db2.gz BMHMDUAODRTXJF-UHFFFAOYSA-N -1 1 348.384 2.518 10 0 EFAEMM O=C(Nc1ccc([O-])c(F)c1F)c1csc(-c2ncccn2)n1 ZINC001556591594 1415078045 /nfs/dbraw/zinc/07/80/45/1415078045.db2.gz CXJIMKAZMABYBB-UHFFFAOYSA-N -1 1 334.307 2.836 10 0 EFAEMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc2nnc(C(F)F)n2c1 ZINC001556591815 1415078106 /nfs/dbraw/zinc/07/81/06/1415078106.db2.gz LAPDNJBNYYNSQM-UHFFFAOYSA-N -1 1 340.236 2.903 10 0 EFAEMM O=C(NCc1cc2n(n1)CCCC2)c1c([O-])cnc2c(F)cccc21 ZINC001557276549 1415117333 /nfs/dbraw/zinc/11/73/33/1415117333.db2.gz BECDJYRLQJQIEZ-UHFFFAOYSA-N -1 1 340.358 2.542 10 0 EFAEMM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2cccc(F)c2[O-])C1=O ZINC001557955606 1415152452 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CC[C@@H](CNc1ccccc1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001558985009 1415216712 /nfs/dbraw/zinc/21/67/12/1415216712.db2.gz PHGWQHIIEIIAJO-ZDUSSCGKSA-N -1 1 341.440 2.639 10 0 EFAEMM COc1cc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)n(C)n1 ZINC001559037170 1415220106 /nfs/dbraw/zinc/22/01/06/1415220106.db2.gz LZIIMLCWAPHHRV-UHFFFAOYSA-N -1 1 332.747 2.588 10 0 EFAEMM COC(=O)c1c[n-]c(SCc2ccc(-c3ccccn3)nc2)n1 ZINC001559400450 1415243165 /nfs/dbraw/zinc/24/31/65/1415243165.db2.gz DKKINUMNJYXGGN-UHFFFAOYSA-N -1 1 326.381 2.946 10 0 EFAEMM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cnncc1[O-] ZINC001565573389 1415404563 /nfs/dbraw/zinc/40/45/63/1415404563.db2.gz VTPHSUWWADCJHT-UHFFFAOYSA-N -1 1 334.379 2.728 10 0 EFAEMM CC1CCC(=CC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)CC1 ZINC001565779487 1415415437 /nfs/dbraw/zinc/41/54/37/1415415437.db2.gz CKCICGYCTKMGTI-UHFFFAOYSA-N -1 1 327.388 2.854 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N(Cc2ccccc2)C[C@@H](C)O)c1 ZINC001565927850 1415451268 /nfs/dbraw/zinc/45/12/68/1415451268.db2.gz JSUOORJZXMXXLY-CQSZACIVSA-N -1 1 327.380 2.536 10 0 EFAEMM CCCCC[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)OC ZINC001566249844 1415536877 /nfs/dbraw/zinc/53/68/77/1415536877.db2.gz CBDTWRWPWZMWKG-ZDUSSCGKSA-N -1 1 348.374 2.931 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N(CCCO)Cc2ccccc2)c1 ZINC001566323521 1415540504 /nfs/dbraw/zinc/54/05/04/1415540504.db2.gz ZHAUZSBSQDXABN-UHFFFAOYSA-N -1 1 327.380 2.538 10 0 EFAEMM C/C=C\C[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)OCC ZINC001567433768 1416137221 /nfs/dbraw/zinc/13/72/21/1416137221.db2.gz PWQXHRYWARDWMM-HSBHDXMMSA-N -1 1 346.358 2.707 10 0 EFAEMM CCO[C@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC001568364143 1416493905 /nfs/dbraw/zinc/49/39/05/1416493905.db2.gz KCMARHIBCKBAAQ-CQSZACIVSA-N -1 1 342.424 2.526 10 0 EFAEMM NC(=O)NCc1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1 ZINC001645997833 1416597957 /nfs/dbraw/zinc/59/79/57/1416597957.db2.gz PVGHHPUNXJXFLD-UHFFFAOYSA-N -1 1 337.738 2.605 10 0 EFAEMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc2c([nH]c1=O)CCOC2 ZINC001646002874 1416598943 /nfs/dbraw/zinc/59/89/43/1416598943.db2.gz OSRIQCSBVLWCSJ-UHFFFAOYSA-N -1 1 338.722 2.610 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@]2(c3ccccc3)CCCO2)c1 ZINC001646194229 1416629647 /nfs/dbraw/zinc/62/96/47/1416629647.db2.gz NLTMRSNRKQEUSW-HXUWFJFHSA-N -1 1 339.391 2.949 10 0 EFAEMM CC1(C)CCC(CC(=O)NCCCNC(=O)c2ncccc2[O-])CC1 ZINC001686972627 1416824361 /nfs/dbraw/zinc/82/43/61/1416824361.db2.gz SSWBTGLQFIPJGR-UHFFFAOYSA-N -1 1 347.459 2.630 10 0 EFAEMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)C[C@@H]1CC=CCC1 ZINC001687703892 1416862369 /nfs/dbraw/zinc/86/23/69/1416862369.db2.gz FVTKVUUTUYTCTM-OAHLLOKOSA-N -1 1 345.443 2.502 10 0 EFAEMM CC(C)N(CCCNC(=O)c1ncccc1[O-])C(=O)C1CC(C)(C)C1 ZINC001688518700 1416978368 /nfs/dbraw/zinc/97/83/68/1416978368.db2.gz XVBLWMUCFPFMPG-UHFFFAOYSA-N -1 1 347.459 2.580 10 0 EFAEMM CC1=CC[C@@](C)(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])CC1 ZINC001701180563 1417695671 /nfs/dbraw/zinc/69/56/71/1417695671.db2.gz FTHAMCQSDLLGNJ-AUUYWEPGSA-N -1 1 345.443 2.500 10 0 EFAEMM CC1=CC[C@](C)(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])CC1 ZINC001701180565 1417695930 /nfs/dbraw/zinc/69/59/30/1417695930.db2.gz FTHAMCQSDLLGNJ-KUHUBIRLSA-N -1 1 345.443 2.500 10 0 EFAEMM C[C@H](CCCNC(=O)C(C)(C)C(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001701459940 1417726905 /nfs/dbraw/zinc/72/69/05/1417726905.db2.gz WSZBPZPCCLPXMD-CYBMUJFWSA-N -1 1 349.475 2.874 10 0 EFAEMM CC(C)N(CCCNC(=O)[C@@H]1CCC1(C)C)C(=O)c1ncccc1[O-] ZINC001704441961 1417936189 /nfs/dbraw/zinc/93/61/89/1417936189.db2.gz XPDATZRPUFYIAH-AWEZNQCLSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCCCC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001718166593 1422117761 /nfs/dbraw/zinc/11/77/61/1422117761.db2.gz IEUCUFLNXPQDKD-CQSZACIVSA-N -1 1 349.475 2.970 10 0 EFAEMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(C)CC=CC1 ZINC001718248290 1422158579 /nfs/dbraw/zinc/15/85/79/1422158579.db2.gz OAZLGCMJZMOGAW-AWEZNQCLSA-N -1 1 345.443 2.548 10 0 EFAEMM CC/C=C(\C)C(=O)NC[C@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001718250634 1422159489 /nfs/dbraw/zinc/15/94/89/1422159489.db2.gz DLTFTPHHNAIQCB-UJMHRVFCSA-N -1 1 345.443 2.645 10 0 EFAEMM C[C@@H](CCCNC(=O)C[C@H]1C=CCCC1)NC(=O)c1ncccc1[O-] ZINC001718392491 1422244844 /nfs/dbraw/zinc/24/48/44/1422244844.db2.gz DWMWZBDJDIOQFE-GJZGRUSLSA-N -1 1 345.443 2.548 10 0 EFAEMM CCCCCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001718736180 1422452260 /nfs/dbraw/zinc/45/22/60/1422452260.db2.gz ALNXQJSLXAKEPD-GJZGRUSLSA-N -1 1 347.459 2.772 10 0 EFAEMM CC(C)=C(C)CC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001718807129 1422476102 /nfs/dbraw/zinc/47/61/02/1422476102.db2.gz OCIZDPFEUXFSAO-OAHLLOKOSA-N -1 1 347.459 2.794 10 0 EFAEMM C[C@H](CCCCNC(=O)[C@H](C)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001719015115 1422627771 /nfs/dbraw/zinc/62/77/71/1422627771.db2.gz RAUGRIQQCPGERA-ZIAGYGMSSA-N -1 1 347.459 2.628 10 0 EFAEMM CC[C@H]1CC[C@H](C(=O)N(C)CCCNC(=O)c2ncccc2[O-])CC1 ZINC001720471079 1422959519 /nfs/dbraw/zinc/95/95/19/1422959519.db2.gz NVGPFASMQYPBCJ-SHTZXODSSA-N -1 1 347.459 2.582 10 0 EFAEMM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000104367710 1423277954 /nfs/dbraw/zinc/27/79/54/1423277954.db2.gz AMGPVDBFDNPDEU-UHFFFAOYSA-N -1 1 325.347 2.922 10 0 EFAEMM CC(C)Cc1cccc([C@@H](C)C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000286004822 1423322907 /nfs/dbraw/zinc/32/29/07/1423322907.db2.gz HRGJQCKFHALFOI-ZIAGYGMSSA-N -1 1 329.448 2.764 10 0 EFAEMM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000159343529 1423390949 /nfs/dbraw/zinc/39/09/49/1423390949.db2.gz KKSYBSYJIGBXHZ-UHFFFAOYSA-N -1 1 325.347 2.922 10 0 EFAEMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120708444 1423475251 /nfs/dbraw/zinc/47/52/51/1423475251.db2.gz GBFHIPMEGAIGJJ-LBPRGKRZSA-N -1 1 339.374 2.747 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2c(s1)CCC2 ZINC000136994042 1423489353 /nfs/dbraw/zinc/48/93/53/1423489353.db2.gz OXFWRBSYPAQSCS-UHFFFAOYSA-N -1 1 325.397 2.593 10 0 EFAEMM CC(C)Cc1cccc([C@H](C)C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000286004810 1423568020 /nfs/dbraw/zinc/56/80/20/1423568020.db2.gz HRGJQCKFHALFOI-KGLIPLIRSA-N -1 1 329.448 2.764 10 0 EFAEMM CCC[C@@H](NC(=O)c1csc(-c2ccc(C)cc2)n1)c1nn[n-]n1 ZINC000136637960 1423626483 /nfs/dbraw/zinc/62/64/83/1423626483.db2.gz SOTMSRFIAKCWCM-GFCCVEGCSA-N -1 1 342.428 2.903 10 0 EFAEMM C[C@@H]1[C@@H](C(=O)Nc2cccc(Cc3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000910043488 1423648123 /nfs/dbraw/zinc/64/81/23/1423648123.db2.gz DBQDPKKICPKABA-UYHISHBKSA-N -1 1 333.395 2.779 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1nccc2ccccc21 ZINC000135563239 1423677402 /nfs/dbraw/zinc/67/74/02/1423677402.db2.gz QTQFVUFLEMILOK-UHFFFAOYSA-N -1 1 330.351 2.591 10 0 EFAEMM O=C(Nc1nnn[n-]1)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000135469771 1423731291 /nfs/dbraw/zinc/73/12/91/1423731291.db2.gz DKFZNUYSSSALPR-UWVGGRQHSA-N -1 1 328.401 2.722 10 0 EFAEMM CC[C@H](CNC(=O)[C@@H]1CCC=CCCC1)NC(=O)c1ncccc1[O-] ZINC001721481205 1423754656 /nfs/dbraw/zinc/75/46/56/1423754656.db2.gz GZMWVYIZIHHCLP-HUUCEWRRSA-N -1 1 345.443 2.548 10 0 EFAEMM CC[C@H](CNC(=O)[C@H]1CCC=CCCC1)NC(=O)c1ncccc1[O-] ZINC001721481206 1423755190 /nfs/dbraw/zinc/75/51/90/1423755190.db2.gz GZMWVYIZIHHCLP-LSDHHAIUSA-N -1 1 345.443 2.548 10 0 EFAEMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000135572833 1423872179 /nfs/dbraw/zinc/87/21/79/1423872179.db2.gz KEDWEBBAJQNXMH-CYBMUJFWSA-N -1 1 337.383 2.505 10 0 EFAEMM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(F)c(Cl)c1F ZINC000182038149 1423889705 /nfs/dbraw/zinc/88/97/05/1423889705.db2.gz ZKKJCLSPCRWUEI-UHFFFAOYSA-N -1 1 349.728 2.974 10 0 EFAEMM CCC[C@H](NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1)c1nnn[n-]1 ZINC000284280216 1423933076 /nfs/dbraw/zinc/93/30/76/1423933076.db2.gz FIAULOHTOGMCTO-DOMZBBRYSA-N -1 1 343.431 2.800 10 0 EFAEMM O=C(CCCOc1ccccc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120700234 1423985184 /nfs/dbraw/zinc/98/51/84/1423985184.db2.gz RMLFKMQMGKDPNC-UHFFFAOYSA-N -1 1 337.383 2.588 10 0 EFAEMM C[C@H](C(=O)NC/C=C/CNC(=O)c1ncccc1[O-])[C@H](C)C(C)(C)C ZINC001721838397 1424013884 /nfs/dbraw/zinc/01/38/84/1424013884.db2.gz PUAYTTFTRRYAGD-AGKLADILSA-N -1 1 347.459 2.508 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000158083929 1424095657 /nfs/dbraw/zinc/09/56/57/1424095657.db2.gz RMQJHSZFZVGHBP-SFHVURJKSA-N -1 1 333.395 2.923 10 0 EFAEMM CC(C)(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000110788315 1424101440 /nfs/dbraw/zinc/10/14/40/1424101440.db2.gz IALOZVRCYLHIMD-UHFFFAOYSA-N -1 1 335.411 2.851 10 0 EFAEMM CC/C(C)=C\C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1CC ZINC001721986579 1424102818 /nfs/dbraw/zinc/10/28/18/1424102818.db2.gz JZCJPZLZHZUMDD-MKQVVRHOSA-N -1 1 345.443 2.500 10 0 EFAEMM CC/C(C)=C\C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1CC ZINC001721986582 1424102922 /nfs/dbraw/zinc/10/29/22/1424102922.db2.gz JZCJPZLZHZUMDD-WJAHIIFUSA-N -1 1 345.443 2.500 10 0 EFAEMM O=C(Nc1nn[n-]n1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000039374982 1424176224 /nfs/dbraw/zinc/17/62/24/1424176224.db2.gz KTJMSJCREYLQAX-UHFFFAOYSA-N -1 1 329.747 2.684 10 0 EFAEMM CCC[C@@H](NC(=O)CCc1c[nH]c2ccc(C)cc12)c1nnn[n-]1 ZINC000136739773 1424187784 /nfs/dbraw/zinc/18/77/84/1424187784.db2.gz WGMATIISYXZHJJ-OAHLLOKOSA-N -1 1 326.404 2.580 10 0 EFAEMM CC/C(C)=C\C(=O)NCC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001722243819 1424297263 /nfs/dbraw/zinc/29/72/63/1424297263.db2.gz YCPUVJYAVCMRDU-OWBHPGMISA-N -1 1 345.443 2.502 10 0 EFAEMM CSc1ccc(C)c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000068961864 1424384604 /nfs/dbraw/zinc/38/46/04/1424384604.db2.gz GUCDLZLDUPQARU-UHFFFAOYSA-N -1 1 339.424 2.827 10 0 EFAEMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000130290554 1424389859 /nfs/dbraw/zinc/38/98/59/1424389859.db2.gz ZOBBTPRZQASJOQ-KGLIPLIRSA-N -1 1 339.424 2.903 10 0 EFAEMM Cc1nc(C(C)C)ccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000293514708 1424533152 /nfs/dbraw/zinc/53/31/52/1424533152.db2.gz VSQCKCBZJOJZDT-UHFFFAOYSA-N -1 1 336.399 2.624 10 0 EFAEMM CCC[C@H](NC(=O)C=C(CC)c1ccc(OC)cc1)c1nnn[n-]1 ZINC000124738419 1424572933 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O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000135551043 1424793872 /nfs/dbraw/zinc/79/38/72/1424793872.db2.gz OOTCELRZSULVEV-HZPDHXFCSA-N -1 1 337.358 2.672 10 0 EFAEMM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC000907359342 1424859391 /nfs/dbraw/zinc/85/93/91/1424859391.db2.gz UJBLDNYDUNTQQJ-BLLLJJGKSA-N -1 1 349.398 2.562 10 0 EFAEMM CCCOc1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1OCC ZINC000344207681 1424909873 /nfs/dbraw/zinc/90/98/73/1424909873.db2.gz GVTOTIVSBKOFBT-UHFFFAOYSA-N -1 1 345.447 2.946 10 0 EFAEMM O=C(N1CCC[C@H](c2nnn[n-]2)C1)C1(c2cccs2)CCCCC1 ZINC000129276681 1425700006 /nfs/dbraw/zinc/70/00/06/1425700006.db2.gz KOVLVMWJDAOOAN-ZDUSSCGKSA-N -1 1 345.472 2.869 10 0 EFAEMM CCC(=CC(=O)NC1(c2nnn[n-]2)CCCC1)c1ccc(C)cc1 ZINC000736302393 1425921002 /nfs/dbraw/zinc/92/10/02/1425921002.db2.gz DUSDBRJAWPKTNV-OWBHPGMISA-N -1 1 325.416 2.887 10 0 EFAEMM CC(C)[C@@H]1CCCN1c1ccc(NC(=O)CCc2nnn[n-]2)cc1F ZINC000867244210 1426410230 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O=C(c1cccc(Nc2nn[n-]n2)c1)N1CCCc2sccc2C1 ZINC000900616393 1428118804 /nfs/dbraw/zinc/11/88/04/1428118804.db2.gz FQMXIURZMNGMSQ-UHFFFAOYSA-N -1 1 340.412 2.593 10 0 EFAEMM CCC(=CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1)c1ccc(C)cc1 ZINC000129406677 1441641726 /nfs/dbraw/zinc/64/17/26/1441641726.db2.gz UGZUMHYGXKONGR-SYCZXOQXSA-N -1 1 325.416 2.708 10 0 EFAEMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC001145022972 1441818135 /nfs/dbraw/zinc/81/81/35/1441818135.db2.gz BWGBMNYPXTYXLB-JKSUJKDBSA-N -1 1 334.383 2.538 10 0 EFAEMM COc1cccc(C(C)=CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000751380399 1442016247 /nfs/dbraw/zinc/01/62/47/1442016247.db2.gz MWVAFOZPQCAUAY-FWFZHJKVSA-N -1 1 349.394 2.517 10 0 EFAEMM CC[C@H](C)c1ccccc1OCC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000345552286 1442425359 /nfs/dbraw/zinc/42/53/59/1442425359.db2.gz SGTXNGJCPBUXBK-ZDUSSCGKSA-N -1 1 343.431 2.678 10 0 EFAEMM O=C(c1ccc2c(c1)-c1ccccc1C2)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000765108669 1443106712 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CC(C)[C@@H](C)CC(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001454981461 1394494183 /nfs/dbraw/zinc/49/41/83/1394494183.db2.gz FXNANSXOASHULA-LSDHHAIUSA-N -1 1 347.459 2.532 10 0 EFAEMM COc1ccc([C@@H]2COCCN2C(=O)c2ccc(F)c([O-])c2)cc1 ZINC001455112838 1394558604 /nfs/dbraw/zinc/55/86/04/1394558604.db2.gz SGVBIDFKZDHJJB-INIZCTEOSA-N -1 1 331.343 2.754 10 0 EFAEMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1csnc1OC ZINC001455355687 1394593896 /nfs/dbraw/zinc/59/38/96/1394593896.db2.gz OCJYNMNWFQHNKX-UHFFFAOYSA-N -1 1 344.396 2.988 10 0 EFAEMM C[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1nc(C(F)(F)F)n[nH]1 ZINC001456391256 1394681253 /nfs/dbraw/zinc/68/12/53/1394681253.db2.gz GPABSINWLZCKEG-MRVPVSSYSA-N -1 1 348.275 2.879 10 0 EFAEMM O=C(NN1C[C@H]2CCC[C@@H]2C1)c1cc(Br)ccc1[O-] ZINC001457410937 1395102074 /nfs/dbraw/zinc/10/20/74/1395102074.db2.gz BTSZRUSPGQKWNK-NXEZZACHSA-N -1 1 325.206 2.531 10 0 EFAEMM C[C@@H](CCC(C)(C)C)C(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001459246914 1395770668 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Cc1cc(C=O)c([O-])c(C(=O)NCCCOCCc2ccccc2)c1 ZINC001464332563 1396566069 /nfs/dbraw/zinc/56/60/69/1396566069.db2.gz UOFBGFADYUDRRV-UHFFFAOYSA-N -1 1 341.407 2.892 10 0 EFAEMM O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc([O-])cn1 ZINC001464825840 1396614659 /nfs/dbraw/zinc/61/46/59/1396614659.db2.gz IRXVNUYVXBIHBN-UHFFFAOYSA-N -1 1 340.408 2.668 10 0 EFAEMM CCN(CCCNC(=O)c1cccc([O-])c1F)C(=O)OC(C)(C)C ZINC001464884034 1396627481 /nfs/dbraw/zinc/62/74/81/1396627481.db2.gz WMUNMWGCOWOFGM-UHFFFAOYSA-N -1 1 340.395 2.908 10 0 EFAEMM COCCCN(Cc1ccncc1)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001464967554 1396635772 /nfs/dbraw/zinc/63/57/72/1396635772.db2.gz FRJNTPYQBQDJBU-UHFFFAOYSA-N -1 1 342.395 2.587 10 0 EFAEMM C[C@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])c1cnn(C)c1 ZINC001465349224 1396672656 /nfs/dbraw/zinc/67/26/56/1396672656.db2.gz MQLZURGIYRNGDN-NSHDSACASA-N -1 1 339.351 2.689 10 0 EFAEMM Cc1ccc(N2CCC[C@@H](NC(=O)c3ncc(C)cc3[O-])C2)cc1 ZINC001465438449 1396681660 /nfs/dbraw/zinc/68/16/60/1396681660.db2.gz 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O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(F)c([O-])c1 ZINC001466846539 1396790952 /nfs/dbraw/zinc/79/09/52/1396790952.db2.gz OOYYZTUCAZSCSY-KSSFIOAISA-N -1 1 333.334 2.566 10 0 EFAEMM C=Cc1ccccc1NC(=O)NC(C)(C)c1ncc(OC)c(=O)[n-]1 ZINC001467153026 1396818006 /nfs/dbraw/zinc/81/80/06/1396818006.db2.gz CVJOQYZGHCLWJO-UHFFFAOYSA-N -1 1 328.372 2.891 10 0 EFAEMM COCN1C(=O)CCc2cc(NC(=O)c3ccc(F)c([O-])c3)ccc21 ZINC001467226895 1396827538 /nfs/dbraw/zinc/82/75/38/1396827538.db2.gz BRDJMEWESHDAHQ-UHFFFAOYSA-N -1 1 344.342 2.667 10 0 EFAEMM Cc1ccn2cnc(C(=O)Nc3nc(Br)ccc3[O-])c2c1 ZINC001467237686 1396828438 /nfs/dbraw/zinc/82/84/38/1396828438.db2.gz PRUUDOJLIPKXDT-UHFFFAOYSA-N -1 1 347.172 2.758 10 0 EFAEMM Cc1cnc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)c([O-])c1 ZINC001467377285 1396847862 /nfs/dbraw/zinc/84/78/62/1396847862.db2.gz SXCTWHDBOOJHGB-SFHVURJKSA-N -1 1 346.814 2.881 10 0 EFAEMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc([O-])cn2)C(C)(C)C1 ZINC001467487953 1396860983 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Cc1cc(C=O)c([O-])c(C(=O)NCc2cnccc2C(F)(F)F)c1 ZINC001470357384 1397087361 /nfs/dbraw/zinc/08/73/61/1397087361.db2.gz PQVILYCHFQWBBT-UHFFFAOYSA-N -1 1 338.285 2.857 10 0 EFAEMM CSc1ncc(C(=O)NCC2CCc3ccccc3CC2)c(=O)[n-]1 ZINC001470465608 1397090620 /nfs/dbraw/zinc/09/06/20/1397090620.db2.gz RIPQZRCDPIKNTM-UHFFFAOYSA-N -1 1 343.452 2.829 10 0 EFAEMM CC(C)(C)c1ccc(C=CC(=O)NCc2nc([O-])cc(=O)[nH]2)cc1 ZINC001470586281 1397100662 /nfs/dbraw/zinc/10/06/62/1397100662.db2.gz JFUSFJWEKSSLRS-RMKNXTFCSA-N -1 1 327.384 2.515 10 0 EFAEMM COc1cc(C(=O)Nc2cccc(F)c2[O-])cnc1Br ZINC001471167007 1397146333 /nfs/dbraw/zinc/14/63/33/1397146333.db2.gz VXZQUMBTWYRJBM-UHFFFAOYSA-N -1 1 341.136 2.950 10 0 EFAEMM COc1ccccc1N1C[C@H](C(=O)Nc2cccc(F)c2[O-])CC1=O ZINC001471166405 1397146739 /nfs/dbraw/zinc/14/67/39/1397146739.db2.gz IUGNBAIVIGZHPO-LLVKDONJSA-N -1 1 344.342 2.532 10 0 EFAEMM CC(C)(C)OC(=O)Nc1ccncc1C(=O)Nc1cccc(F)c1[O-] ZINC001471166385 1397146778 /nfs/dbraw/zinc/14/67/78/1397146778.db2.gz IEUFSOXGHDVXJQ-UHFFFAOYSA-N -1 1 347.346 2.948 10 0 EFAEMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1cc(=O)c2ccccc2[nH]1 ZINC001471367619 1397165549 /nfs/dbraw/zinc/16/55/49/1397165549.db2.gz OYUIKJMHBPGWJB-UHFFFAOYSA-N -1 1 342.782 2.746 10 0 EFAEMM CC(C)C[C@@H]1COCCN1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001471433891 1397171189 /nfs/dbraw/zinc/17/11/89/1397171189.db2.gz PRJGBZSBFNIUCT-GFCCVEGCSA-N -1 1 342.386 2.669 10 0 EFAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(SC(F)F)cc1 ZINC001471646483 1397193182 /nfs/dbraw/zinc/19/31/82/1397193182.db2.gz XFSUAAHRODNSDI-UHFFFAOYSA-N -1 1 341.387 2.813 10 0 EFAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1ccc(CCC(F)(F)F)cc1 ZINC001471659580 1397194632 /nfs/dbraw/zinc/19/46/32/1397194632.db2.gz KNDKUOWKMFTVIH-UHFFFAOYSA-N -1 1 339.321 2.504 10 0 EFAEMM CC(C)(C)c1ccc(SCC(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC001471659595 1397195297 /nfs/dbraw/zinc/19/52/97/1397195297.db2.gz KYLDFDGRSMLKFT-UHFFFAOYSA-N -1 1 345.472 2.785 10 0 EFAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCn4cccc4C3)c2)o1 ZINC001471758275 1397204132 /nfs/dbraw/zinc/20/41/32/1397204132.db2.gz YNUNTNVNBIBPJT-UHFFFAOYSA-N -1 1 336.347 2.922 10 0 EFAEMM C/C(=C/C1CCC(C)CC1)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001471852781 1397216339 /nfs/dbraw/zinc/21/63/39/1397216339.db2.gz CVUIFCOYQUUEBU-VDDAWLKTSA-N -1 1 331.464 2.753 10 0 EFAEMM CCOc1cc(C(=O)N2CC[C@@H](c3ncccn3)C2)cc(Cl)c1[O-] ZINC001472053154 1397240209 /nfs/dbraw/zinc/24/02/09/1397240209.db2.gz FJQMHDFXPKSECG-LLVKDONJSA-N -1 1 347.802 2.864 10 0 EFAEMM C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)c1ccc([O-])cn1 ZINC001472060684 1397241180 /nfs/dbraw/zinc/24/11/80/1397241180.db2.gz NEQYFPNAZLNNDM-GFCCVEGCSA-N -1 1 347.365 2.806 10 0 EFAEMM C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)c1ccc([O-])cn1 ZINC001472060685 1397241192 /nfs/dbraw/zinc/24/11/92/1397241192.db2.gz NEQYFPNAZLNNDM-LBPRGKRZSA-N -1 1 347.365 2.806 10 0 EFAEMM NC(=O)CC1(NC(=O)c2ccc3ccc(O)cc3c2[O-])CCCCC1 ZINC001472293389 1397254974 /nfs/dbraw/zinc/25/49/74/1397254974.db2.gz VPXJAGXGQSFSFI-UHFFFAOYSA-N -1 1 342.395 2.559 10 0 EFAEMM COc1nscc1CN(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC001473827711 1397336140 /nfs/dbraw/zinc/33/61/40/1397336140.db2.gz BIAYEHXQQQNZDS-UHFFFAOYSA-N -1 1 332.381 2.596 10 0 EFAEMM COc1cnc([C@@H]2CCCN2Cc2nc(C(C)(C)C)co2)[n-]c1=O ZINC001473864258 1397341675 /nfs/dbraw/zinc/34/16/75/1397341675.db2.gz PYVRGQBOAVQHSW-NSHDSACASA-N -1 1 332.404 2.813 10 0 EFAEMM CCCCC[C@H](CC)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001493848261 1398920747 /nfs/dbraw/zinc/92/07/47/1398920747.db2.gz MGTKMZRHTGZROS-GJZGRUSLSA-N -1 1 347.459 2.724 10 0 EFAEMM CCN(CCNC(=O)[C@@]1(C)CC=C(C)CC1)C(=O)c1ncccc1[O-] ZINC001496775025 1400975269 /nfs/dbraw/zinc/97/52/69/1400975269.db2.gz MZWCKZNILJGDDY-IBGZPJMESA-N -1 1 345.443 2.502 10 0 EFAEMM CC(C)N(CCCNC(=O)c1cccs1)C(=O)c1ncccc1[O-] ZINC001497618783 1401497911 /nfs/dbraw/zinc/49/79/11/1401497911.db2.gz KORRIGDPBBJTJU-UHFFFAOYSA-N -1 1 347.440 2.519 10 0 EFAEMM CC/C=C(\C)C(=O)NCCCN(C(=O)c1ncccc1[O-])C(C)C ZINC001497624476 1401501830 /nfs/dbraw/zinc/50/18/30/1401501830.db2.gz HMYYGKYHYSASKS-RIYZIHGNSA-N -1 1 333.432 2.500 10 0 EFAEMM CC(C)C[C@@H](C)C(=O)N(CCCNC(=O)c1ncccc1[O-])C(C)C ZINC001497647826 1401520036 /nfs/dbraw/zinc/52/00/36/1401520036.db2.gz YCVFPXPQZZAAEA-OAHLLOKOSA-N -1 1 349.475 2.826 10 0 EFAEMM CC[C@H](CNC(=O)C[C@H](CC)C(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001499211109 1402522667 /nfs/dbraw/zinc/52/26/67/1402522667.db2.gz VEXFYYXNAVBYPV-UONOGXRCSA-N -1 1 349.475 2.874 10 0 EFAEMM CC[C@H](CC(=O)NC[C@H](CC)NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001499211108 1402522951 /nfs/dbraw/zinc/52/29/51/1402522951.db2.gz VEXFYYXNAVBYPV-KGLIPLIRSA-N -1 1 349.475 2.874 10 0 EFAEMM CC[C@H](CNC(=O)[C@H](C)CCC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001499223888 1402527450 /nfs/dbraw/zinc/52/74/50/1402527450.db2.gz PDQZHOZCDPUDBQ-ZIAGYGMSSA-N -1 1 349.475 2.874 10 0 EFAEMM CC[C@H](CNC(=O)C[C@H](C)CC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001499401066 1402597463 /nfs/dbraw/zinc/59/74/63/1402597463.db2.gz UHFLSFSQDMLWKZ-UONOGXRCSA-N -1 1 349.475 2.874 10 0 EFAEMM CCCCC[C@H](CC)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001505688150 1404940506 /nfs/dbraw/zinc/94/05/06/1404940506.db2.gz UWRLFBIBKGVYPI-GJZGRUSLSA-N -1 1 347.459 2.724 10 0 EFAEMM C[C@@H]1CCN(C(=O)c2cccc(Nc3nn[n-]n3)c2)[C@H]2CCCC[C@H]12 ZINC000900182507 1426917975 /nfs/dbraw/zinc/91/79/75/1426917975.db2.gz KVJQXFZLIUAPLL-WQVCFCJDSA-N -1 1 340.431 2.984 10 0 EFAEMM C[C@@H](CNC(=O)CCCCC(C)(C)C)N(C)C(=O)c1ncccc1[O-] ZINC001508874336 1407703006 /nfs/dbraw/zinc/70/30/06/1407703006.db2.gz BHSJRPDWYJKOOE-AWEZNQCLSA-N -1 1 349.475 2.970 10 0 EFAEMM CCC[C@@H](C)C(=O)N(C)CC[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001509221623 1407831208 /nfs/dbraw/zinc/83/12/08/1407831208.db2.gz NVGWRUBPTLTEEN-HUUCEWRRSA-N -1 1 349.475 2.826 10 0 EFAEMM CCC(CC)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001509592891 1408052673 /nfs/dbraw/zinc/05/26/73/1408052673.db2.gz LRSOPTNRQLNXQD-OAHLLOKOSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCC(CCC)C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001509917060 1408166623 /nfs/dbraw/zinc/16/66/23/1408166623.db2.gz RCHUSKKAPHWVGG-CTYIDZIISA-N -1 1 347.459 2.628 10 0 EFAEMM C[C@H](CCCNC(=O)c1ncccc1[O-])NC(=O)C[C@@H]1C=CCCC1 ZINC001510047886 1412505304 /nfs/dbraw/zinc/50/53/04/1412505304.db2.gz KNVIXBBCGHOPKY-HUUCEWRRSA-N -1 1 345.443 2.548 10 0 EFAEMM CC(C)N(CCN(C)C(=O)C1(C)CCCC1)C(=O)c1ncccc1[O-] ZINC001511699499 1413084288 /nfs/dbraw/zinc/08/42/88/1413084288.db2.gz DPBHCDXTLUXIHB-UHFFFAOYSA-N -1 1 347.459 2.677 10 0 EFAEMM CCCCCC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001511749826 1413113593 /nfs/dbraw/zinc/11/35/93/1413113593.db2.gz NORRCGLMUKMUIZ-AWEZNQCLSA-N -1 1 335.448 2.628 10 0 EFAEMM O=C(Nc1cccc(Cl)c1O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001546332928 1413362702 /nfs/dbraw/zinc/36/27/02/1413362702.db2.gz PEKWTVLQHRCLNR-UHFFFAOYSA-N -1 1 331.715 2.641 10 0 EFAEMM Cc1ccc2c(ccc(C)c2C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC000935037046 1428742654 /nfs/dbraw/zinc/74/26/54/1428742654.db2.gz MDGYFAPMZWPGSS-HNNXBMFYSA-N -1 1 335.411 2.990 10 0 EFAEMM Cc1ccc2[nH]ncc2c1C(=O)Nc1nc(Br)ccc1[O-] ZINC001556251716 1415060153 /nfs/dbraw/zinc/06/01/53/1415060153.db2.gz UFIKMDBZYTUOSR-UHFFFAOYSA-N -1 1 347.172 2.987 10 0 EFAEMM O=C(c1ccc([O-])cn1)N1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC001556285330 1415061832 /nfs/dbraw/zinc/06/18/32/1415061832.db2.gz DBVXETSHRACISI-AWEZNQCLSA-N -1 1 336.395 2.689 10 0 EFAEMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001556591918 1415077485 /nfs/dbraw/zinc/07/74/85/1415077485.db2.gz PVDYQXVOPURXRX-ZDUSSCGKSA-N -1 1 336.269 2.941 10 0 EFAEMM O=C(Nc1ccc([O-])c(F)c1F)c1cc(Br)c[nH]c1=O ZINC001556592672 1415078166 /nfs/dbraw/zinc/07/81/66/1415078166.db2.gz YAVHYKITKNOZKF-UHFFFAOYSA-N -1 1 345.099 2.786 10 0 EFAEMM COc1nccc2cc(NC(=O)c3cnc(SC)[n-]c3=O)ccc21 ZINC001556686283 1415081992 /nfs/dbraw/zinc/08/19/92/1415081992.db2.gz JJOSQKRGMDGLTP-UHFFFAOYSA-N -1 1 342.380 2.713 10 0 EFAEMM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1cccc([O-])c1F ZINC001556758931 1415086955 /nfs/dbraw/zinc/08/69/55/1415086955.db2.gz AFHYMMUMCFBTIS-NSHDSACASA-N -1 1 340.395 2.955 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC001556788572 1415088500 /nfs/dbraw/zinc/08/85/00/1415088500.db2.gz AZWGPNWEZPYOGD-OAHLLOKOSA-N -1 1 333.771 2.630 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C)c2cc3n(n2)CCCC3)c1 ZINC001557277013 1415117365 /nfs/dbraw/zinc/11/73/65/1415117365.db2.gz HNDNWPQKLHPOCQ-GFCCVEGCSA-N -1 1 327.384 2.537 10 0 EFAEMM O=C(CCn1sc2ccccc2c1=O)Nc1c([O-])cccc1F ZINC001557409802 1415124185 /nfs/dbraw/zinc/12/41/85/1415124185.db2.gz XECIMYHBWCFYFF-UHFFFAOYSA-N -1 1 332.356 2.937 10 0 EFAEMM NC(=O)c1ccc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)cn1 ZINC001557587148 1415132996 /nfs/dbraw/zinc/13/29/96/1415132996.db2.gz UPVLCWGSUAUAEY-UHFFFAOYSA-N -1 1 341.754 2.945 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H]2CCN2Cc2ccccc2)c1 ZINC001557609017 1415133754 /nfs/dbraw/zinc/13/37/54/1415133754.db2.gz GOFJUNRUFCFVRC-KRWDZBQOSA-N -1 1 338.407 2.517 10 0 EFAEMM O=C(NCCc1ccc(O)c(CO)c1)c1ccc2ccccc2c1[O-] ZINC001558160154 1415162976 /nfs/dbraw/zinc/16/29/76/1415162976.db2.gz CXSJIKOBSFCKMS-UHFFFAOYSA-N -1 1 337.375 2.716 10 0 EFAEMM Cc1ccc(-c2cc(C(=O)NCCc3c(F)cc([O-])cc3F)[nH]n2)o1 ZINC001558515801 1415184719 /nfs/dbraw/zinc/18/47/19/1415184719.db2.gz KFJFHSDCZCLDSC-UHFFFAOYSA-N -1 1 347.321 2.934 10 0 EFAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(NC=O)c1 ZINC001558557590 1415188690 /nfs/dbraw/zinc/18/86/90/1415188690.db2.gz IDIPPVFEQXAJRT-UHFFFAOYSA-N -1 1 328.372 2.609 10 0 EFAEMM CCCOc1ccnc(CC(=O)Nc2cc(F)c([O-])cc2Cl)n1 ZINC001558644631 1415193200 /nfs/dbraw/zinc/19/32/00/1415193200.db2.gz RSUNNZNGXQNZMM-UHFFFAOYSA-N -1 1 339.754 2.945 10 0 EFAEMM COCCOc1cncc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001558644662 1415193291 /nfs/dbraw/zinc/19/32/91/1415193291.db2.gz TURSWAIRXCMVAW-UHFFFAOYSA-N -1 1 340.738 2.857 10 0 EFAEMM Cc1ncccc1CCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001558721505 1415197155 /nfs/dbraw/zinc/19/71/55/1415197155.db2.gz DTDGBRAZBNOYIE-UHFFFAOYSA-N -1 1 325.343 2.755 10 0 EFAEMM CCOC(=O)c1cn(C)nc1NC(=O)c1ccc2ccccc2c1[O-] ZINC001558885311 1415209656 /nfs/dbraw/zinc/20/96/56/1415209656.db2.gz SSKLXPAUZPXEEG-UHFFFAOYSA-N -1 1 339.351 2.708 10 0 EFAEMM CN1CCCc2cc(NC(=O)c3ccc4n[n-]c(=S)n4c3)ccc21 ZINC001565700408 1415411461 /nfs/dbraw/zinc/41/14/61/1415411461.db2.gz AFSHIXBPJROFIX-UHFFFAOYSA-N -1 1 339.424 2.653 10 0 EFAEMM C[C@@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(F)cc1F ZINC001566055007 1415494641 /nfs/dbraw/zinc/49/46/41/1415494641.db2.gz HTCSVDCRORYPLR-VIFPVBQESA-N -1 1 348.378 2.830 10 0 EFAEMM O=C(Cc1ccc([O-])c(Cl)c1)NCCOc1ncccc1Cl ZINC001566251617 1415536894 /nfs/dbraw/zinc/53/68/94/1415536894.db2.gz ISRXICCASKFGBY-UHFFFAOYSA-N -1 1 341.194 2.832 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)N(C)Cc2cccc(N(C)C)c2)c1 ZINC001566301736 1415539564 /nfs/dbraw/zinc/53/95/64/1415539564.db2.gz YBBXEHYOSQFYOX-UHFFFAOYSA-N -1 1 326.396 2.851 10 0 EFAEMM O=C(N[C@@H](c1nc[nH]n1)c1ccccc1)c1ncc2ccccc2c1[O-] ZINC001567190906 1415983129 /nfs/dbraw/zinc/98/31/29/1415983129.db2.gz RXEKJQWWRJQPAJ-OAHLLOKOSA-N -1 1 345.362 2.578 10 0 EFAEMM O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1ncc2ccccc2c1[O-] ZINC001567190906 1415983133 /nfs/dbraw/zinc/98/31/33/1415983133.db2.gz RXEKJQWWRJQPAJ-OAHLLOKOSA-N -1 1 345.362 2.578 10 0 EFAEMM CCc1ccc2c(c1)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)CCO2 ZINC001567376028 1416101947 /nfs/dbraw/zinc/10/19/47/1416101947.db2.gz ZOSYWYXXSJJWFT-INIZCTEOSA-N -1 1 325.364 2.777 10 0 EFAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NC[C@H]3CCC=CO3)c2)o1 ZINC001567629077 1416217106 /nfs/dbraw/zinc/21/71/06/1416217106.db2.gz INXCOLCBVREYRI-CYBMUJFWSA-N -1 1 327.336 2.887 10 0 EFAEMM O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1cnncc1[O-] ZINC001568267327 1416461038 /nfs/dbraw/zinc/46/10/38/1416461038.db2.gz KPOSUEOPYMLPAY-UHFFFAOYSA-N -1 1 335.367 2.634 10 0 EFAEMM O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1ncc2ccccc2c1[O-] ZINC001568299500 1416469849 /nfs/dbraw/zinc/46/98/49/1416469849.db2.gz WMGCMZUEOQPKKB-UHFFFAOYSA-N -1 1 345.358 2.712 10 0 EFAEMM O=C(CNC(=O)c1cccs1)Nc1cc(F)c([O-])cc1Cl ZINC001645997898 1416598074 /nfs/dbraw/zinc/59/80/74/1416598074.db2.gz SILJUXNDTKSHGQ-UHFFFAOYSA-N -1 1 328.752 2.615 10 0 EFAEMM O=C(NCCOCC1CCCC1)NCCc1c(F)cc([O-])cc1F ZINC001683135294 1416678264 /nfs/dbraw/zinc/67/82/64/1416678264.db2.gz IOVADVKPEJFRHL-UHFFFAOYSA-N -1 1 342.386 2.719 10 0 EFAEMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)C[C@H]1CC=CCC1 ZINC001687703891 1416862318 /nfs/dbraw/zinc/86/23/18/1416862318.db2.gz FVTKVUUTUYTCTM-HNNXBMFYSA-N -1 1 345.443 2.502 10 0 EFAEMM CCCN(CCNC(=O)C1CCC=CCC1)C(=O)c1ncccc1[O-] ZINC001688465267 1416970962 /nfs/dbraw/zinc/97/09/62/1416970962.db2.gz QQRLWFBFIIRWHC-UHFFFAOYSA-N -1 1 345.443 2.502 10 0 EFAEMM CC[C@@]1(C)C[C@H]1C(=O)N(CCCNC(=O)c1ncccc1[O-])C(C)C ZINC001688518349 1416978132 /nfs/dbraw/zinc/97/81/32/1416978132.db2.gz LZNBKAFKDOBEQY-LIRRHRJNSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)(C)CCCCC(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001704576774 1417991763 /nfs/dbraw/zinc/99/17/63/1417991763.db2.gz OQVJYPGJKNDJLE-UHFFFAOYSA-N -1 1 347.459 2.582 10 0 EFAEMM CC(C)CCCCC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001704750286 1418113364 /nfs/dbraw/zinc/11/33/64/1418113364.db2.gz DRZCTXOVWNAFDP-OAHLLOKOSA-N -1 1 347.459 2.724 10 0 EFAEMM O=C(CCCSc1ccc(Cl)cc1)NC1(c2nnn[n-]2)CC1 ZINC000352210158 1429398845 /nfs/dbraw/zinc/39/88/45/1429398845.db2.gz HHIDYYFDFBIUQS-UHFFFAOYSA-N -1 1 337.836 2.531 10 0 EFAEMM CCC(=CC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1)CC ZINC001718360278 1422218810 /nfs/dbraw/zinc/21/88/10/1422218810.db2.gz GVBCKNQNVLXSGV-CABCVRRESA-N -1 1 345.443 2.691 10 0 EFAEMM CC(C)=C(C)CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001718729867 1422447146 /nfs/dbraw/zinc/44/71/46/1422447146.db2.gz PPROBUZSDHXBNM-GJZGRUSLSA-N -1 1 345.443 2.643 10 0 EFAEMM CC(C)CCCCC(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001719382981 1422693471 /nfs/dbraw/zinc/69/34/71/1422693471.db2.gz UNSCTEYIXQDQSK-HNNXBMFYSA-N -1 1 347.459 2.677 10 0 EFAEMM CC[C@H](C)CCCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001720695427 1423137397 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C[C@@H](Nc1cccc(-c2nnn[n-]2)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000310262336 1423507623 /nfs/dbraw/zinc/50/76/23/1423507623.db2.gz HXXYRUHPKAJNGJ-MNOVXSKESA-N -1 1 332.408 2.580 10 0 EFAEMM CCC[C@H](NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1nnn[n-]1 ZINC000176780882 1423577364 /nfs/dbraw/zinc/57/73/64/1423577364.db2.gz XQMUDWJROXRCGO-NSHDSACASA-N -1 1 333.440 2.546 10 0 EFAEMM COc1cccc([C@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000120793516 1423596055 /nfs/dbraw/zinc/59/60/55/1423596055.db2.gz VFHNIFCICPOSDW-LBPRGKRZSA-N -1 1 337.383 2.541 10 0 EFAEMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000025514403 1423682771 /nfs/dbraw/zinc/68/27/71/1423682771.db2.gz NWNLJYIYXVTLLD-MRXNPFEDSA-N -1 1 337.383 2.756 10 0 EFAEMM C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000120714199 1423696783 /nfs/dbraw/zinc/69/67/83/1423696783.db2.gz HFFQXRQOVWGOBI-NSHDSACASA-N -1 1 325.347 2.672 10 0 EFAEMM O=C(CCc1ccc(Cl)s1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875374 1423748674 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CN(Cc1cccc(=O)[nH]1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001363647830 1336972159 /nfs/dbraw/zinc/97/21/59/1336972159.db2.gz SFXRERYVDLJALO-UHFFFAOYSA-N -1 1 326.274 2.784 10 0 EFAEMM O=C(NCCc1c(F)cc([O-])cc1F)c1ccc(NCC2CC2)nc1 ZINC001363658293 1336978558 /nfs/dbraw/zinc/97/85/58/1336978558.db2.gz VCPVGFPKEUCWBB-UHFFFAOYSA-N -1 1 347.365 2.860 10 0 EFAEMM Cc1ccc(/C=C\CC(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)cc1 ZINC001363664137 1336981923 /nfs/dbraw/zinc/98/19/23/1336981923.db2.gz SKHPWQNFRVQXKK-PLNGDYQASA-N -1 1 341.411 2.609 10 0 EFAEMM COc1cccc([O-])c1C(=O)Nc1ccc([C@@H](C)CC(N)=O)cc1 ZINC001363733007 1337016465 /nfs/dbraw/zinc/01/64/65/1337016465.db2.gz SKPDJTSFGQYCMI-NSHDSACASA-N -1 1 328.368 2.632 10 0 EFAEMM CSc1ncc(C(=O)N2CCc3ccccc3C(C)(C)C2)c(=O)[n-]1 ZINC001363928427 1337117343 /nfs/dbraw/zinc/11/73/43/1337117343.db2.gz SPFDMCCTBXPWNV-UHFFFAOYSA-N -1 1 343.452 2.880 10 0 EFAEMM CCCN(CCNC(=O)[C@@]1(C)CCC[C@@H]1C)C(=O)c1ncccc1[O-] ZINC001387443872 1352136985 /nfs/dbraw/zinc/13/69/85/1352136985.db2.gz KVASHMQMEVSSBS-LIRRHRJNSA-N -1 1 347.459 2.582 10 0 EFAEMM CN(C(=O)c1ncccc1[O-])C1CN(CC/C=C\c2ccccc2)C1 ZINC001368066422 1339184242 /nfs/dbraw/zinc/18/42/42/1339184242.db2.gz KAQUVOXXCDSOCU-YHYXMXQVSA-N -1 1 337.423 2.647 10 0 EFAEMM CCCC[C@@H](CC)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001387643335 1352277973 /nfs/dbraw/zinc/27/79/73/1352277973.db2.gz YTLPRPYTVJJTOZ-CABCVRRESA-N -1 1 347.459 2.724 10 0 EFAEMM C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(C)C)NC(=O)c1ncccc1[O-] ZINC001370539790 1340124180 /nfs/dbraw/zinc/12/41/80/1340124180.db2.gz QASIOZHENRVESH-UONOGXRCSA-N -1 1 347.459 2.580 10 0 EFAEMM CC[C@@H](C)[C@H](C)C(=O)N(C)CCN(C(=O)c1ncccc1[O-])C(C)C ZINC001371066155 1340339828 /nfs/dbraw/zinc/33/98/28/1340339828.db2.gz SQMCTTAYFZHABD-CABCVRRESA-N -1 1 349.475 2.778 10 0 EFAEMM CC[C@H](NC(=O)NCCc1c(F)cc([O-])cc1F)[C@@H]1CCCCO1 ZINC001371446593 1340598605 /nfs/dbraw/zinc/59/86/05/1340598605.db2.gz WCTDUHKIJVWVLX-HOTGVXAUSA-N -1 1 342.386 2.860 10 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CC[C@H](C)[C@H](C)C(=O)N1CCC(N(C)C(=O)c2ncccc2[O-])CC1 ZINC001424820154 1383379815 /nfs/dbraw/zinc/37/98/15/1383379815.db2.gz GIABDYRFVNAYFN-KBPBESRZSA-N -1 1 347.459 2.532 10 0 EFAEMM CC(C)[C@@H](CCNC(=O)C1(C)CCCC1)NC(=O)c1ncccc1[O-] ZINC001424860571 1383431863 /nfs/dbraw/zinc/43/18/63/1383431863.db2.gz UWMAOBBTGHQDEF-CQSZACIVSA-N -1 1 347.459 2.628 10 0 EFAEMM CCC[C@@H](C(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001426163141 1384040309 /nfs/dbraw/zinc/04/03/09/1384040309.db2.gz FKMHJILLJGCGPV-YMAMQOFZSA-N -1 1 347.459 2.579 10 0 EFAEMM C[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1cccc(F)c1F ZINC001545919094 1388908539 /nfs/dbraw/zinc/90/85/39/1388908539.db2.gz MRZZBCSPTXSKIY-MRVPVSSYSA-N -1 1 334.351 2.787 10 0 EFAEMM CC(C)(C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001426914463 1384629814 /nfs/dbraw/zinc/62/98/14/1384629814.db2.gz XDSSHZJKOQQAHJ-UONOGXRCSA-N -1 1 347.459 2.628 10 0 EFAEMM O=C(NCc1ccc([O-])c(Cl)c1)NC[C@H](O)c1ccsc1 ZINC001428232274 1385348916 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349.793 2.897 10 0 EFAEMM COc1ccc(C[C@H]2CCCN(C(=O)c3ccc([O-])cn3)C2)cc1 ZINC001434017371 1387059268 /nfs/dbraw/zinc/05/92/68/1387059268.db2.gz XXOFCQHDULUQAA-OAHLLOKOSA-N -1 1 326.396 2.891 10 0 EFAEMM O=C(CNC(=O)c1ccccc1Cl)Nc1cc([O-])c(F)cc1F ZINC001434052109 1387074611 /nfs/dbraw/zinc/07/46/11/1387074611.db2.gz ZEUAXYNFIORVKV-UHFFFAOYSA-N -1 1 340.713 2.692 10 0 EFAEMM COC(=O)c1ccc(C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)[n-]1 ZINC001434414307 1387142965 /nfs/dbraw/zinc/14/29/65/1387142965.db2.gz XPGLBSBKAMIOBA-QFIPXVFZSA-N -1 1 340.788 2.752 10 0 EFAEMM CCN1CC[C@H]1CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001434437824 1387150764 /nfs/dbraw/zinc/15/07/64/1387150764.db2.gz LXZLZROEOKBSGJ-VIFPVBQESA-N -1 1 347.640 2.632 10 0 EFAEMM CC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC001440868609 1389967108 /nfs/dbraw/zinc/96/71/08/1389967108.db2.gz VFNJBADDOHFQRR-UHFFFAOYSA-N -1 1 340.379 2.742 10 0 EFAEMM O=C(NCC1(c2ccccn2)CC1)c1c([O-])cnc2c(F)cccc21 ZINC001446790072 1391602482 /nfs/dbraw/zinc/60/24/82/1391602482.db2.gz CHPVZDFPVBIKOZ-UHFFFAOYSA-N -1 1 337.354 2.936 10 0 EFAEMM Cc1cc(Br)c([O-])c(NC(=O)/C=C\c2cn(C)cn2)c1 ZINC001446845524 1391620209 /nfs/dbraw/zinc/62/02/09/1391620209.db2.gz CTRALVACIJMNIA-ARJAWSKDSA-N -1 1 336.189 2.849 10 0 EFAEMM CC(C)[C@H](O)C1(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001446845403 1391620324 /nfs/dbraw/zinc/62/03/24/1391620324.db2.gz KLISWIWAFPRKEN-ZDUSSCGKSA-N -1 1 331.334 2.938 10 0 EFAEMM C/C(=C\c1ccncc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC001447924244 1391815725 /nfs/dbraw/zinc/81/57/25/1391815725.db2.gz FARSRDCOUKDHEQ-CMDGGOBGSA-N -1 1 334.173 2.987 10 0 EFAEMM CC[C@@H]1CCC[C@@]1(C)C(=O)N(CC)CCNC(=O)c1ncccc1[O-] ZINC001449350634 1392262608 /nfs/dbraw/zinc/26/26/08/1392262608.db2.gz JDWJIYWNTZLJCI-AUUYWEPGSA-N -1 1 347.459 2.582 10 0 EFAEMM O=C(NCCOc1ccc(F)c(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC001449863689 1392413873 /nfs/dbraw/zinc/41/38/73/1392413873.db2.gz HFKGEGQTZYGHGQ-UHFFFAOYSA-N -1 1 337.734 2.563 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(C3(C)CC3)ns2)c1 ZINC001453732289 1392943933 /nfs/dbraw/zinc/94/39/33/1392943933.db2.gz DQOYUBGITQZQBG-UHFFFAOYSA-N -1 1 344.396 2.672 10 0 EFAEMM C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1cc(F)ccc1[O-] ZINC001454969024 1394487500 /nfs/dbraw/zinc/48/75/00/1394487500.db2.gz SJRXLDLDVLNEGX-KRWDZBQOSA-N -1 1 337.778 2.908 10 0 EFAEMM Cc1c[nH]c(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c(C)c1=O ZINC001456425776 1394689389 /nfs/dbraw/zinc/68/93/89/1394689389.db2.gz UZWMMKJYOAKRSY-UHFFFAOYSA-N -1 1 340.301 2.646 10 0 EFAEMM COc1cccc(C[C@@H](O)C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001456607280 1394728711 /nfs/dbraw/zinc/72/87/11/1394728711.db2.gz NOTVUZBMHFODLI-OAHLLOKOSA-N -1 1 339.750 2.735 10 0 EFAEMM Cc1nn(-c2cccnc2)nc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001456619905 1394731514 /nfs/dbraw/zinc/73/15/14/1394731514.db2.gz VVTIPLQIQRQLCY-UHFFFAOYSA-N -1 1 347.737 2.721 10 0 EFAEMM O=C(Cc1cc2ccccc2[nH]c1=O)[N-]OCCOc1ccccc1 ZINC001457106788 1394970798 /nfs/dbraw/zinc/97/07/98/1394970798.db2.gz MCMKJVKPPDDVGZ-UHFFFAOYSA-N -1 1 338.363 2.610 10 0 EFAEMM Cc1cc(C)c2c(c1)CCN(C(=O)c1c(C)[nH]c(=O)[n-]c1=S)C2 ZINC001457365185 1395083828 /nfs/dbraw/zinc/08/38/28/1395083828.db2.gz ALSUYAWSPUOOHK-UHFFFAOYSA-N -1 1 329.425 2.595 10 0 EFAEMM CCOC(=O)c1nc([C@@H](C)Nc2cc(C3CC3)nc(C3CC3)n2)n[n-]1 ZINC001458474830 1395476458 /nfs/dbraw/zinc/47/64/58/1395476458.db2.gz KMWMSMFNYLFTHX-SECBINFHSA-N -1 1 342.403 2.699 10 0 EFAEMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2cc(C3CC3)nc(C3CC3)n2)n1 ZINC001458474830 1395476461 /nfs/dbraw/zinc/47/64/61/1395476461.db2.gz KMWMSMFNYLFTHX-SECBINFHSA-N -1 1 342.403 2.699 10 0 EFAEMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Cl)ncc2Cl)n1 ZINC001460023646 1395999435 /nfs/dbraw/zinc/99/94/35/1395999435.db2.gz OCTMKIONFNITIJ-UHFFFAOYSA-N -1 1 329.143 2.541 10 0 EFAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2nsc3ccccc32)[n-]1 ZINC001462729874 1396450360 /nfs/dbraw/zinc/45/03/60/1396450360.db2.gz FFJNRWQVDTYGRP-UHFFFAOYSA-N -1 1 343.364 2.866 10 0 EFAEMM C[C@@H](NC(=O)c1ccc([O-])cn1)c1ccc(NC(=O)C2CC2)cc1 ZINC001464073256 1396543950 /nfs/dbraw/zinc/54/39/50/1396543950.db2.gz YRNWCEJGAGXHLG-LLVKDONJSA-N -1 1 325.368 2.627 10 0 EFAEMM Cc1nc(NC(=O)c2cnncc2[O-])sc1Cc1ccccc1F ZINC001464308418 1396564703 /nfs/dbraw/zinc/56/47/03/1396564703.db2.gz NUBIHAVBMABFRE-UHFFFAOYSA-N -1 1 344.371 2.929 10 0 EFAEMM O=C(CC1CCN(C(=O)c2cccc([O-])c2F)CC1)NC1CCCC1 ZINC001464450615 1396576799 /nfs/dbraw/zinc/57/67/99/1396576799.db2.gz DRNIAYXGDMZCFQ-UHFFFAOYSA-N -1 1 348.418 2.832 10 0 EFAEMM CCCCCC(=O)NC1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC001464580192 1396587425 /nfs/dbraw/zinc/58/74/25/1396587425.db2.gz NFPNKFBKXJWKIG-UHFFFAOYSA-N -1 1 336.407 2.832 10 0 EFAEMM COC(=O)CCN(Cc1ccccc1)C(=O)c1cccc([O-])c1F ZINC001464633388 1396591392 /nfs/dbraw/zinc/59/13/92/1396591392.db2.gz UZJPERBIWSFHJB-UHFFFAOYSA-N -1 1 331.343 2.737 10 0 EFAEMM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cccc([O-])c1F ZINC001465679504 1396702237 /nfs/dbraw/zinc/70/22/37/1396702237.db2.gz DXMAJVCDHDBQCC-UHFFFAOYSA-N -1 1 348.340 2.926 10 0 EFAEMM CCC[C@@H](NC(=O)c1csc(NC2CCCCC2)n1)c1nn[n-]n1 ZINC001465684944 1396703010 /nfs/dbraw/zinc/70/30/10/1396703010.db2.gz FEOYQNQKORLNFV-LLVKDONJSA-N -1 1 349.464 2.672 10 0 EFAEMM O=C(N[C@@H](CO)c1ccccc1)c1c([O-])cnc2c(F)cccc21 ZINC001465854981 1396716875 /nfs/dbraw/zinc/71/68/75/1396716875.db2.gz ZDPNGNZQJKAAMT-AWEZNQCLSA-N -1 1 326.327 2.543 10 0 EFAEMM O=C(c1cc(I)ccc1[O-])N1CC2(CCC2)C1 ZINC001465939674 1396724782 /nfs/dbraw/zinc/72/47/82/1396724782.db2.gz XWWPKAHJYHONET-UHFFFAOYSA-N -1 1 343.164 2.623 10 0 EFAEMM Cc1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cn(C)c1=O ZINC001465969584 1396726786 /nfs/dbraw/zinc/72/67/86/1396726786.db2.gz ULZMMQLBGZFLAV-UHFFFAOYSA-N -1 1 326.274 2.670 10 0 EFAEMM O=C(NCCc1ccc(O)cc1)c1c([O-])cnc2c(F)cccc21 ZINC001465981487 1396727741 /nfs/dbraw/zinc/72/77/41/1396727741.db2.gz DXVXHUGKPSIFTH-UHFFFAOYSA-N -1 1 326.327 2.758 10 0 EFAEMM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cnncc1[O-] ZINC001466299239 1396746282 /nfs/dbraw/zinc/74/62/82/1396746282.db2.gz AEXBKNHTWDOAMR-UHFFFAOYSA-N -1 1 333.760 2.606 10 0 EFAEMM Cc1ccccc1C1=CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001466366169 1396750791 /nfs/dbraw/zinc/75/07/91/1396750791.db2.gz XJTKOOPOFNAERD-UHFFFAOYSA-N -1 1 327.409 2.627 10 0 EFAEMM CSc1ncc(C(=O)N2CC[C@H](c3cccc(C)c3)C2)c(=O)[n-]1 ZINC001466820169 1396787429 /nfs/dbraw/zinc/78/74/29/1396787429.db2.gz XPOIWQRDSPVNMR-ZDUSSCGKSA-N -1 1 329.425 2.842 10 0 EFAEMM Nc1cc(F)c(F)cc1C(=O)Nc1nc(Br)ccc1[O-] ZINC001467241222 1396830087 /nfs/dbraw/zinc/83/00/87/1396830087.db2.gz AHGZUVXQBUNLSV-UHFFFAOYSA-N -1 1 344.115 2.662 10 0 EFAEMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(F)c([O-])c3)cn2)C[C@@H](C)O1 ZINC001467683573 1396885240 /nfs/dbraw/zinc/88/52/40/1396885240.db2.gz MANMWOPLUQIROR-VXGBXAGGSA-N -1 1 345.374 2.792 10 0 EFAEMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC001467772954 1396895263 /nfs/dbraw/zinc/89/52/63/1396895263.db2.gz DLSOITRSQOUQBY-LBPRGKRZSA-N -1 1 334.322 2.749 10 0 EFAEMM O=C(NCc1ccn(Cc2ccccc2)n1)c1cccc([O-])c1F ZINC001467892361 1396906187 /nfs/dbraw/zinc/90/61/87/1396906187.db2.gz MVZBFZMXUMJJFK-UHFFFAOYSA-N -1 1 325.343 2.706 10 0 EFAEMM COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc([O-])c(F)c3F)C2)c1 ZINC001468003801 1396917996 /nfs/dbraw/zinc/91/79/96/1396917996.db2.gz QKDSBZQYLQLLEN-CQSZACIVSA-N -1 1 348.305 2.811 10 0 EFAEMM COc1nccc2cc(NC(=O)c3cnc(C4CC4)[n-]c3=O)ccc21 ZINC001468227828 1396934863 /nfs/dbraw/zinc/93/48/63/1396934863.db2.gz NWOZDDIEGWJDET-UHFFFAOYSA-N -1 1 336.351 2.869 10 0 EFAEMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(N2CCOCC2)cc1 ZINC001469159236 1397006685 /nfs/dbraw/zinc/00/66/85/1397006685.db2.gz AGSBXCHVMMTROP-UHFFFAOYSA-N -1 1 334.322 2.759 10 0 EFAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CSC(C)(C)C ZINC001469558334 1397038321 /nfs/dbraw/zinc/03/83/21/1397038321.db2.gz QRDQEQOQXZCTBW-UWVGGRQHSA-N -1 1 340.411 2.576 10 0 EFAEMM CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)c1ncccc1[O-] ZINC001469805264 1397055392 /nfs/dbraw/zinc/05/53/92/1397055392.db2.gz PTHCIYFWASBEPS-AWEZNQCLSA-N -1 1 342.395 2.954 10 0 EFAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)F)ccc2F)o1 ZINC001469824035 1397058514 /nfs/dbraw/zinc/05/85/14/1397058514.db2.gz OHAPMGLZHMTROL-UHFFFAOYSA-N -1 1 348.302 2.517 10 0 EFAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001469937893 1397060168 /nfs/dbraw/zinc/06/01/68/1397060168.db2.gz SPDCKQZPYVVTIR-CYBMUJFWSA-N -1 1 328.372 2.744 10 0 EFAEMM Cc1ccc(C(C)(C)CNC(=O)c2cc(C)cc(C=O)c2[O-])nc1 ZINC001470131777 1397075531 /nfs/dbraw/zinc/07/55/31/1397075531.db2.gz YVQOCMNIIVZKIY-UHFFFAOYSA-N -1 1 326.396 2.924 10 0 EFAEMM O=C(Nc1cccc(F)c1[O-])c1cccn(Cc2ccccc2)c1=O ZINC001471166240 1397146539 /nfs/dbraw/zinc/14/65/39/1397146539.db2.gz FOQGWVRUKWSYMG-UHFFFAOYSA-N -1 1 338.338 2.994 10 0 EFAEMM C[C@@H](CCNC(=O)c1cccc([O-])c1F)NC(=O)OC(C)(C)C ZINC001471209243 1397150311 /nfs/dbraw/zinc/15/03/11/1397150311.db2.gz WUQHGIHKBKDPOF-JTQLQIEISA-N -1 1 326.368 2.564 10 0 EFAEMM Cc1ccc(NC(=O)c2cnncc2[O-])cc1C(=O)c1ccccc1 ZINC001471307201 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COC(=O)c1c[n-]c(SCc2ccc(C3(C(=O)OC)CC3)cc2)n1 ZINC001473019146 1397278080 /nfs/dbraw/zinc/27/80/80/1397278080.db2.gz JIHRGJXDENKVRQ-UHFFFAOYSA-N -1 1 346.408 2.693 10 0 EFAEMM O=C(CN1CCO[C@H](c2ccccc2)CC1)[N-]OCc1ccccc1 ZINC001473888917 1397344832 /nfs/dbraw/zinc/34/48/32/1397344832.db2.gz YKSHFYICKLZVDF-IBGZPJMESA-N -1 1 340.423 2.698 10 0 EFAEMM CCC(C)(C)CC(=O)NCCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001493069097 1398412937 /nfs/dbraw/zinc/41/29/37/1398412937.db2.gz BHTHKDKPHLXGMI-UHFFFAOYSA-N -1 1 347.459 2.724 10 0 EFAEMM CC[C@H](C)CC(=O)NCCCN(C(=O)c1ncccc1[O-])C(C)C ZINC001497646024 1401518355 /nfs/dbraw/zinc/51/83/55/1401518355.db2.gz AZXWZOQKCZKJDS-AWEZNQCLSA-N -1 1 335.448 2.580 10 0 EFAEMM CC[C@@H](CNC(=O)[C@H](C)CCC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001499223886 1402527156 /nfs/dbraw/zinc/52/71/56/1402527156.db2.gz PDQZHOZCDPUDBQ-KGLIPLIRSA-N -1 1 349.475 2.874 10 0 EFAEMM CC[C@H](CNC(=O)[C@@H](C)CCC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001499223887 1402527328 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ZINC001687724173 1416867888 /nfs/dbraw/zinc/86/78/88/1416867888.db2.gz NWQDAAAIWCMPOF-GJZGRUSLSA-N -1 1 347.459 2.582 10 0 EFAEMM CC[C@]1(C)C[C@H]1C(=O)N(CCCNC(=O)c1ncccc1[O-])C(C)C ZINC001688518347 1416977994 /nfs/dbraw/zinc/97/79/94/1416977994.db2.gz LZNBKAFKDOBEQY-IFXJQAMLSA-N -1 1 347.459 2.580 10 0 EFAEMM CC1=CC[C@@](C)(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])CC1 ZINC001701180564 1417696011 /nfs/dbraw/zinc/69/60/11/1417696011.db2.gz FTHAMCQSDLLGNJ-IFXJQAMLSA-N -1 1 345.443 2.500 10 0 EFAEMM CC(C)=C(F)C(=O)N[C@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC001702676239 1417747886 /nfs/dbraw/zinc/74/78/86/1417747886.db2.gz ZGEQNEFEALKLLB-ZDUSSCGKSA-N -1 1 349.406 2.552 10 0 EFAEMM CCC[C@H]1CCC[C@@H]1C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001703569406 1417862961 /nfs/dbraw/zinc/86/29/61/1417862961.db2.gz NPPKTNOOQOVRQL-GJZGRUSLSA-N -1 1 347.459 2.582 10 0 EFAEMM CCN(CCCNC(=O)C1CCCCCC1)C(=O)c1ncccc1[O-] ZINC001703692295 1417873963 /nfs/dbraw/zinc/87/39/63/1417873963.db2.gz IYWNWCCJHKVMQV-UHFFFAOYSA-N -1 1 347.459 2.726 10 0 EFAEMM CC/C=C(\C)C(=O)NCCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001704731735 1418096558 /nfs/dbraw/zinc/09/65/58/1418096558.db2.gz WAOXRQHKKBESAU-LHHJGKSTSA-N -1 1 345.443 2.502 10 0 EFAEMM O=C(NCC[C@H]1CCc2ccccc21)c1cccc(Nc2nn[n-]n2)c1 ZINC000908524544 1429410491 /nfs/dbraw/zinc/41/04/91/1429410491.db2.gz RPYMVDGBEPSZAW-CQSZACIVSA-N -1 1 348.410 2.793 10 0 EFAEMM CCCCCC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001718154580 1422111911 /nfs/dbraw/zinc/11/19/11/1422111911.db2.gz VNJNZQBPPQDIIO-CQSZACIVSA-N -1 1 349.475 2.970 10 0 EFAEMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(C)CC=CC1 ZINC001718248292 1422158595 /nfs/dbraw/zinc/15/85/95/1422158595.db2.gz OAZLGCMJZMOGAW-CQSZACIVSA-N -1 1 345.443 2.548 10 0 EFAEMM CC/C=C(/C)C(=O)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001718250633 1422159790 /nfs/dbraw/zinc/15/97/90/1422159790.db2.gz DLTFTPHHNAIQCB-OWTLUSIOSA-N -1 1 345.443 2.645 10 0 EFAEMM CCCCCCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001718360523 1422219452 /nfs/dbraw/zinc/21/94/52/1422219452.db2.gz HTIRIRCJZFZDMV-CABCVRRESA-N -1 1 347.459 2.915 10 0 EFAEMM C[C@H](CCCNC(=O)C[C@H]1C=CCCC1)NC(=O)c1ncccc1[O-] ZINC001718392490 1422244955 /nfs/dbraw/zinc/24/49/55/1422244955.db2.gz DWMWZBDJDIOQFE-CABCVRRESA-N -1 1 345.443 2.548 10 0 EFAEMM CC1=C(C)C[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001718550806 1422353914 /nfs/dbraw/zinc/35/39/14/1422353914.db2.gz VBZNYGHEFMITSD-GJZGRUSLSA-N -1 1 345.443 2.500 10 0 EFAEMM CCCCCC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001718806595 1422475432 /nfs/dbraw/zinc/47/54/32/1422475432.db2.gz FLAJAEVSDHXJBQ-AWEZNQCLSA-N -1 1 335.448 2.628 10 0 EFAEMM CC(C)CCCCC(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001718846660 1422498437 /nfs/dbraw/zinc/49/84/37/1422498437.db2.gz QMTGJCCAPHTJPJ-UHFFFAOYSA-N -1 1 347.459 2.723 10 0 EFAEMM CCC[C@@H](C)CC(=O)NCC1=CCN(C(=O)c2ncccc2[O-])CC1 ZINC001718861079 1422509199 /nfs/dbraw/zinc/50/91/99/1422509199.db2.gz VHWRMTHXDMSNJV-CQSZACIVSA-N -1 1 345.443 2.502 10 0 EFAEMM C[C@@H](CCCCNC(=O)[C@H]1CC=CCC1)NC(=O)c1ncccc1[O-] ZINC001719015676 1422628589 /nfs/dbraw/zinc/62/85/89/1422628589.db2.gz XQCPNVLRXKWGIF-GJZGRUSLSA-N -1 1 345.443 2.548 10 0 EFAEMM CC(C)C[C@H]1CCCN(C(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC000901039460 1429576196 /nfs/dbraw/zinc/57/61/96/1429576196.db2.gz NIJPTQCFPBALGH-CYBMUJFWSA-N -1 1 328.420 2.842 10 0 EFAEMM C/C=C(/C)C(=O)NCCCCCCN(C)C(=O)c1ncccc1[O-] ZINC001719528384 1422745288 /nfs/dbraw/zinc/74/52/88/1422745288.db2.gz CZWWBQCMIKDUQG-CPSFFCFKSA-N -1 1 333.432 2.502 10 0 EFAEMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1 ZINC000170047576 1422985954 /nfs/dbraw/zinc/98/59/54/1422985954.db2.gz PPWIFXJONZOKIS-UHFFFAOYSA-N -1 1 341.392 2.994 10 0 EFAEMM CCN(CCCNC(=O)C[C@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC001720623192 1423086973 /nfs/dbraw/zinc/08/69/73/1423086973.db2.gz VRSRBSPBSAWNII-HNNXBMFYSA-N -1 1 345.443 2.502 10 0 EFAEMM CC(C)(C)CCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001720691675 1423135244 /nfs/dbraw/zinc/13/52/44/1423135244.db2.gz JVDPEOZIYPVHGL-CQSZACIVSA-N -1 1 347.459 2.724 10 0 EFAEMM CCC(=O)N(Cc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000084654559 1423254917 /nfs/dbraw/zinc/25/49/17/1423254917.db2.gz ALQFXYZLBJMASO-UHFFFAOYSA-N -1 1 325.347 2.949 10 0 EFAEMM O=C(CO[C@@H]1CCCc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000282058923 1423308671 /nfs/dbraw/zinc/30/86/71/1423308671.db2.gz UOTPRMBBEOUATB-QGZVFWFLSA-N -1 1 349.394 2.899 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C1(c2ccccc2)CCC1 ZINC000136995778 1423341123 /nfs/dbraw/zinc/34/11/23/1423341123.db2.gz CRWYOAHIOXDJDG-UHFFFAOYSA-N -1 1 333.395 2.851 10 0 EFAEMM CCc1sc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC000135569809 1423442970 /nfs/dbraw/zinc/44/29/70/1423442970.db2.gz AMYKTZLHIIEAJJ-UHFFFAOYSA-N -1 1 327.413 2.975 10 0 EFAEMM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cccc(Nc3nn[n-]n3)c2)C1 ZINC000907961836 1423489618 /nfs/dbraw/zinc/48/96/18/1423489618.db2.gz HFXCYBQJDBPCGS-KOMQPUFPSA-N -1 1 348.410 2.928 10 0 EFAEMM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000136986868 1423498625 /nfs/dbraw/zinc/49/86/25/1423498625.db2.gz YGRIEEUYYCJNLA-UHFFFAOYSA-N -1 1 339.374 2.846 10 0 EFAEMM CCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nnn[n-]1 ZINC000176765681 1423577613 /nfs/dbraw/zinc/57/76/13/1423577613.db2.gz YBSCUCYJODOIME-LBPRGKRZSA-N -1 1 329.335 2.870 10 0 EFAEMM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(F)c(Cl)cc1F ZINC000154726745 1423648389 /nfs/dbraw/zinc/64/83/89/1423648389.db2.gz OWYQVVZDASDPGO-UHFFFAOYSA-N -1 1 349.728 2.974 10 0 EFAEMM O=C(COCc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000065491228 1423708645 /nfs/dbraw/zinc/70/86/45/1423708645.db2.gz QXZLTTPZLXMGCR-UHFFFAOYSA-N -1 1 343.774 2.675 10 0 EFAEMM CCCCCCC(=O)N1CC[C@@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC001721434961 1423722266 /nfs/dbraw/zinc/72/22/66/1423722266.db2.gz XZVWUGZURMWELC-OAHLLOKOSA-N -1 1 347.459 2.821 10 0 EFAEMM CC[C@@H](CNC(=O)[C@@H]1CCC=CCCC1)NC(=O)c1ncccc1[O-] ZINC001721481203 1423754224 /nfs/dbraw/zinc/75/42/24/1423754224.db2.gz GZMWVYIZIHHCLP-CABCVRRESA-N -1 1 345.443 2.548 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000120778709 1423861804 /nfs/dbraw/zinc/86/18/04/1423861804.db2.gz LOEIMVOHDDWTTO-UHFFFAOYSA-N -1 1 331.738 2.835 10 0 EFAEMM C[C@@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nn[n-]n1 ZINC000095942108 1423895806 /nfs/dbraw/zinc/89/58/06/1423895806.db2.gz FEBRILCYYYATKD-QMMMGPOBSA-N -1 1 348.819 2.510 10 0 EFAEMM Cc1nc(CCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cs1 ZINC000120752227 1423905328 /nfs/dbraw/zinc/90/53/28/1423905328.db2.gz CWVLSSGGQSZBIP-UHFFFAOYSA-N -1 1 342.428 2.517 10 0 EFAEMM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCCC2 ZINC000068974106 1423944375 /nfs/dbraw/zinc/94/43/75/1423944375.db2.gz WKTVADYMHSTFRT-UHFFFAOYSA-N -1 1 333.395 2.676 10 0 EFAEMM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(C)n1C1CC1 ZINC000120732620 1423983571 /nfs/dbraw/zinc/98/35/71/1423983571.db2.gz TYKQHWORDZQJIV-UHFFFAOYSA-N -1 1 336.399 2.796 10 0 EFAEMM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135571414 1424029947 /nfs/dbraw/zinc/02/99/47/1424029947.db2.gz GCQAHRSPHIQPLP-UHFFFAOYSA-N -1 1 346.394 2.761 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cccc(C(F)F)c1 ZINC000178716306 1424087678 /nfs/dbraw/zinc/08/76/78/1424087678.db2.gz HKBVZQFSTRVWMH-UHFFFAOYSA-N -1 1 329.310 2.980 10 0 EFAEMM CC/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](CC)C1 ZINC001721983588 1424098878 /nfs/dbraw/zinc/09/88/78/1424098878.db2.gz JYNYJKRCTOXOSJ-OOHOIJMXSA-N -1 1 345.443 2.500 10 0 EFAEMM Cn1ccc2c1cccc2C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135549729 1424112518 /nfs/dbraw/zinc/11/25/18/1424112518.db2.gz SIOZHZJRVQIPEZ-UHFFFAOYSA-N -1 1 332.367 2.535 10 0 EFAEMM CCCCCC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CCCC1 ZINC001722174427 1424233756 /nfs/dbraw/zinc/23/37/56/1424233756.db2.gz KJNKGIUTWAAJFC-HNNXBMFYSA-N -1 1 347.459 2.772 10 0 EFAEMM CCCCCC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CCCC1 ZINC001722174429 1424233990 /nfs/dbraw/zinc/23/39/90/1424233990.db2.gz KJNKGIUTWAAJFC-OAHLLOKOSA-N -1 1 347.459 2.772 10 0 EFAEMM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(Cc3nn[n-]n3)cc1)CO2 ZINC000186103777 1424407194 /nfs/dbraw/zinc/40/71/94/1424407194.db2.gz REZADMAGABRYMV-MRXNPFEDSA-N -1 1 349.394 2.522 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccnc2ccccc21 ZINC000120784649 1424410066 /nfs/dbraw/zinc/41/00/66/1424410066.db2.gz XSEMNEMNJKTPOS-UHFFFAOYSA-N -1 1 330.351 2.591 10 0 EFAEMM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120812921 1424436427 /nfs/dbraw/zinc/43/64/27/1424436427.db2.gz LRRFFSIMWKENIZ-MRXNPFEDSA-N -1 1 343.431 2.857 10 0 EFAEMM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1 ZINC000248423652 1424547811 /nfs/dbraw/zinc/54/78/11/1424547811.db2.gz FSLFBFHOWBPFOP-VBNZEHGJSA-N -1 1 327.432 2.689 10 0 EFAEMM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136982851 1424584707 /nfs/dbraw/zinc/58/47/07/1424584707.db2.gz OJQBHEBIPCBLNH-GFCCVEGCSA-N -1 1 339.374 2.747 10 0 EFAEMM CC(C)c1ccc(C=CCC(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1 ZINC000124428094 1424603766 /nfs/dbraw/zinc/60/37/66/1424603766.db2.gz GIEGVNJVZAMYEA-GJBLVYBDSA-N -1 1 327.432 2.989 10 0 EFAEMM C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120782242 1424663046 /nfs/dbraw/zinc/66/30/46/1424663046.db2.gz SXHOWEUVMPTDPM-GFCCVEGCSA-N -1 1 339.424 2.910 10 0 EFAEMM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000182408308 1424705693 /nfs/dbraw/zinc/70/56/93/1424705693.db2.gz DBNJGADPUBVOKT-AWEZNQCLSA-N -1 1 335.411 2.916 10 0 EFAEMM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2c(c1)CCCC2 ZINC000135561476 1424745514 /nfs/dbraw/zinc/74/55/14/1424745514.db2.gz XRHRCTQFDZOAJK-UHFFFAOYSA-N -1 1 333.395 2.922 10 0 EFAEMM CC(C)c1nc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cs1 ZINC000120595901 1424772900 /nfs/dbraw/zinc/77/29/00/1424772900.db2.gz LXPPQZAOQFMBQO-UHFFFAOYSA-N -1 1 328.401 2.623 10 0 EFAEMM CC(C)Oc1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136989393 1424774723 /nfs/dbraw/zinc/77/47/23/1424774723.db2.gz RTJLQWAVOUOWSY-UHFFFAOYSA-N -1 1 337.383 2.830 10 0 EFAEMM 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2.724 10 0 EFAEMM CC[C@H](CC(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001388430212 1352696997 /nfs/dbraw/zinc/69/69/97/1352696997.db2.gz AMUOJRRVVSXMPF-UONOGXRCSA-N -1 1 349.475 2.732 10 0 EFAEMM CCC(CC)[C@@H](C)C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001388516754 1352760250 /nfs/dbraw/zinc/76/02/50/1352760250.db2.gz PXGZSNQJYNDATP-HIFRSBDPSA-N -1 1 347.459 2.580 10 0 EFAEMM CC(C)C[C@H](CNC(=O)[C@@H](C)CC(C)C)NC(=O)c1ncccc1[O-] ZINC001388517206 1352760546 /nfs/dbraw/zinc/76/05/46/1352760546.db2.gz IOFIKGGJAJBMJA-LSDHHAIUSA-N -1 1 349.475 2.730 10 0 EFAEMM CC(C)C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)C(C)(C)C ZINC001391398702 1355168340 /nfs/dbraw/zinc/16/83/40/1355168340.db2.gz CLFDGSXAIXNFTA-ZIAGYGMSSA-N -1 1 349.475 2.730 10 0 EFAEMM CC[C@H](CC(=O)N(C)CCN(C)C(=O)c1ncccc1[O-])C(C)(C)C ZINC001391808927 1355552274 /nfs/dbraw/zinc/55/22/74/1355552274.db2.gz RIMAGENJTRIOSP-CQSZACIVSA-N -1 1 349.475 2.780 10 0 EFAEMM CC(C)[C@H](C)C(=O)NC[C@H]1CCCCCN1C(=O)c1ncccc1[O-] 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OCZQADNAUSZCFB-UHFFFAOYSA-N -1 1 342.380 2.875 10 0 EFAEMM Cc1ccc(CCN(Cc2ccco2)C(=O)c2cnncc2[O-])cc1 ZINC001566160498 1415533377 /nfs/dbraw/zinc/53/33/77/1415533377.db2.gz XRSJMXKYNZHXIJ-UHFFFAOYSA-N -1 1 337.379 2.969 10 0 EFAEMM Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001566588865 1415673156 /nfs/dbraw/zinc/67/31/56/1415673156.db2.gz GGLFNKSPTDLYIY-UHFFFAOYSA-N -1 1 329.761 2.603 10 0 EFAEMM Cc1cc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[n-]2)cc2n[nH]cc21 ZINC001567100983 1415933254 /nfs/dbraw/zinc/93/32/54/1415933254.db2.gz MMWIKCACJCHCJH-UHFFFAOYSA-N -1 1 341.371 2.802 10 0 EFAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(O)cc2OCC)c1 ZINC001567550233 1416183162 /nfs/dbraw/zinc/18/31/62/1416183162.db2.gz VOGXAOJQJYNCDU-UHFFFAOYSA-N -1 1 342.351 2.873 10 0 EFAEMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC001645725643 1416549882 /nfs/dbraw/zinc/54/98/82/1416549882.db2.gz YMFGYVSHEBRMGV-UHFFFAOYSA-N -1 1 331.384 2.975 10 0 EFAEMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCC[C@H]1c1ncccn1 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EFAEMM O=C(NCCNc1ccccc1)NCCc1c(F)cc([O-])cc1F ZINC001687703574 1416862093 /nfs/dbraw/zinc/86/20/93/1416862093.db2.gz UWDCUSMYLZTXKS-UHFFFAOYSA-N -1 1 335.354 2.624 10 0 EFAEMM CC[C@H](C)CCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001687899253 1416891851 /nfs/dbraw/zinc/89/18/51/1416891851.db2.gz BXBRCPQQRGFBBD-LSDHHAIUSA-N -1 1 347.459 2.724 10 0 EFAEMM C[C@H](CCCNC(=O)C1(C)CCCCC1)NC(=O)c1ncccc1[O-] ZINC001701460320 1417726927 /nfs/dbraw/zinc/72/69/27/1417726927.db2.gz KGYQYDSRDGJHEN-CQSZACIVSA-N -1 1 347.459 2.772 10 0 EFAEMM C=C/C(C)=C\CC(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001704794390 1418146753 /nfs/dbraw/zinc/14/67/53/1418146753.db2.gz AKHAASPUAATBPC-CKNOQMABSA-N -1 1 345.443 2.570 10 0 EFAEMM COc1cc(Nc2nc[n-]c(=O)c2Br)ccc1Cl ZINC000232204786 1418275094 /nfs/dbraw/zinc/27/50/94/1418275094.db2.gz PFCHPZPJHQXGMU-UHFFFAOYSA-N -1 1 330.569 2.938 10 0 EFAEMM C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nnn[n-]1 ZINC000070915897 1429379470 /nfs/dbraw/zinc/37/94/70/1429379470.db2.gz FBDLITBVQHYZRW-NSHDSACASA-N -1 1 335.367 2.799 10 0 EFAEMM CCCC[C@@H](CNC(=O)[C@@H]1CC=CCC1)NC(=O)c1ncccc1[O-] ZINC001718242047 1422154850 /nfs/dbraw/zinc/15/48/50/1422154850.db2.gz CPGQVOSUIVIURT-CABCVRRESA-N -1 1 345.443 2.548 10 0 EFAEMM CC/C=C(/C)C(=O)NC[C@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001718250631 1422159580 /nfs/dbraw/zinc/15/95/80/1422159580.db2.gz DLTFTPHHNAIQCB-CKNOQMABSA-N -1 1 345.443 2.645 10 0 EFAEMM CC(C)=C(C)CC(=O)N(C)[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001718515818 1422331793 /nfs/dbraw/zinc/33/17/93/1422331793.db2.gz OGIWCKFLLQKQCD-OAHLLOKOSA-N -1 1 345.443 2.500 10 0 EFAEMM CC1=C(C)C[C@H](C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001718550808 1422354036 /nfs/dbraw/zinc/35/40/36/1422354036.db2.gz VBZNYGHEFMITSD-LSDHHAIUSA-N -1 1 345.443 2.500 10 0 EFAEMM C[C@@H](C(=O)NCCCC[C@H](C)NC(=O)c1ncccc1[O-])C1CCC1 ZINC001719015114 1422627748 /nfs/dbraw/zinc/62/77/48/1422627748.db2.gz RAUGRIQQCPGERA-UONOGXRCSA-N -1 1 347.459 2.628 10 0 EFAEMM C[C@@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)C1(C)CCCC1 ZINC001719022836 1422635837 /nfs/dbraw/zinc/63/58/37/1422635837.db2.gz ZYXKPWJSKJQODY-AWEZNQCLSA-N -1 1 347.459 2.772 10 0 EFAEMM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1 ZINC000248423651 1423228652 /nfs/dbraw/zinc/22/86/52/1423228652.db2.gz FSLFBFHOWBPFOP-RCBQFDQVSA-N -1 1 327.432 2.689 10 0 EFAEMM CCCc1nc(C)c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000171959261 1423282163 /nfs/dbraw/zinc/28/21/63/1423282163.db2.gz LOUMKYHZPGJUDB-UHFFFAOYSA-N -1 1 342.428 2.514 10 0 EFAEMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000024315169 1423546502 /nfs/dbraw/zinc/54/65/02/1423546502.db2.gz VQHVLVOJVBBSBN-SNVBAGLBSA-N -1 1 341.346 2.505 10 0 EFAEMM C/C(=C\C(=O)NCCCN(C(=O)c1ncccc1[O-])C(C)C)C1CC1 ZINC001721256998 1423582640 /nfs/dbraw/zinc/58/26/40/1423582640.db2.gz ZUVGCASWXULBOI-WYMLVPIESA-N -1 1 345.443 2.500 10 0 EFAEMM Cc1csc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000359560006 1423585425 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CCC[C@H](NC(=O)CCCC(=O)c1ccc(C)cc1)c1nnn[n-]1 ZINC000184439971 1423727051 /nfs/dbraw/zinc/72/70/51/1423727051.db2.gz WHFKKVGZHHLLEY-AWEZNQCLSA-N -1 1 329.404 2.519 10 0 EFAEMM O=C(Nc1nnn[n-]1)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182717747 1423743997 /nfs/dbraw/zinc/74/39/97/1423743997.db2.gz FWBMIQAKTVFARX-MWLCHTKSSA-N -1 1 342.186 2.613 10 0 EFAEMM Cc1nc2ccccc2cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120644513 1423754056 /nfs/dbraw/zinc/75/40/56/1423754056.db2.gz QGBXGZYGRPLFAJ-UHFFFAOYSA-N -1 1 344.378 2.899 10 0 EFAEMM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120782106 1423778910 /nfs/dbraw/zinc/77/89/10/1423778910.db2.gz SXHOWEUVMPTDPM-LBPRGKRZSA-N -1 1 339.424 2.910 10 0 EFAEMM CC(C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)C)=C1CCCC1 ZINC001721664656 1423913516 /nfs/dbraw/zinc/91/35/16/1423913516.db2.gz BYWNRPGVOKEXPX-OAHLLOKOSA-N -1 1 345.443 2.548 10 0 EFAEMM C[C@]1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCCc2ccccc21 ZINC000110787239 1423960092 /nfs/dbraw/zinc/96/00/92/1423960092.db2.gz JTEKGVHWHVUFRL-FQEVSTJZSA-N -1 1 347.422 2.777 10 0 EFAEMM O=C(NCCSCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000014183448 1424012860 /nfs/dbraw/zinc/01/28/60/1424012860.db2.gz UJNFJDQEIMBQPA-UHFFFAOYSA-N -1 1 345.453 2.591 10 0 EFAEMM O=C(Cc1cccc2cccnc21)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136995728 1424078780 /nfs/dbraw/zinc/07/87/80/1424078780.db2.gz OFGWAIKWHFPVOU-UHFFFAOYSA-N -1 1 344.378 2.520 10 0 EFAEMM CC/C(C)=C/C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1CC ZINC001721986580 1424102872 /nfs/dbraw/zinc/10/28/72/1424102872.db2.gz JZCJPZLZHZUMDD-MLOLEURXSA-N -1 1 345.443 2.500 10 0 EFAEMM CC/C(C)=C/C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1CC ZINC001721986581 1424102907 /nfs/dbraw/zinc/10/29/07/1424102907.db2.gz JZCJPZLZHZUMDD-TZLBIFBXSA-N -1 1 345.443 2.500 10 0 EFAEMM COc1cc(Cl)ccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135554162 1424114218 /nfs/dbraw/zinc/11/42/18/1424114218.db2.gz NGLCVDOFGONFCJ-UHFFFAOYSA-N -1 1 343.774 2.705 10 0 EFAEMM 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CC(C)N(CCN(C)C/C(Cl)=C/Cl)C(=O)c1ncccc1[O-] ZINC001426110576 1383992254 /nfs/dbraw/zinc/99/22/54/1383992254.db2.gz ZVZPUKFZRHSBDE-XFXZXTDPSA-N -1 1 346.258 2.889 10 0 EFAEMM CCC[C@H](C(=O)NC[C@@H](C)N(CC)C(=O)c1ncccc1[O-])C(C)C ZINC001426371770 1384274160 /nfs/dbraw/zinc/27/41/60/1384274160.db2.gz LLUFDBCAQAQMLM-CABCVRRESA-N -1 1 349.475 2.826 10 0 EFAEMM CC(C)(C)CCC(=O)NCC1(CCNC(=O)c2ncccc2[O-])CC1 ZINC001426422673 1384318582 /nfs/dbraw/zinc/31/85/82/1384318582.db2.gz WWIGSAFSSMXIRB-UHFFFAOYSA-N -1 1 347.459 2.630 10 0 EFAEMM CCC[C@H](C)C(=O)N1CCCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001427060818 1384741298 /nfs/dbraw/zinc/74/12/98/1384741298.db2.gz ZNZOBQJXLPSUAD-GJZGRUSLSA-N -1 1 347.459 2.677 10 0 EFAEMM CCCCC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001427094170 1384757722 /nfs/dbraw/zinc/75/77/22/1384757722.db2.gz RPVBTJVFXGMPMB-CQSZACIVSA-N -1 1 347.459 2.724 10 0 EFAEMM CCC(CC)C(=O)N(C)CCN(C(=O)c1ncccc1[O-])C(C)C ZINC001428313722 1385382023 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ZINC001088613775 1428145839 /nfs/dbraw/zinc/14/58/39/1428145839.db2.gz CKWYSXUXKLOVTK-UHFFFAOYSA-N -1 1 349.181 2.643 10 0 EFAEMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)CCC1CCCC1 ZINC001509953578 1408180739 /nfs/dbraw/zinc/18/07/39/1408180739.db2.gz QAMKZVDINCUGTR-AWEZNQCLSA-N -1 1 347.459 2.772 10 0 EFAEMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)CCCCC(C)(C)C ZINC001510525688 1412728758 /nfs/dbraw/zinc/72/87/58/1412728758.db2.gz HJTUTFOSLLUVRL-AWEZNQCLSA-N -1 1 349.475 2.970 10 0 EFAEMM CCCCCC(=O)N1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001511320772 1412967385 /nfs/dbraw/zinc/96/73/85/1412967385.db2.gz HOHWRIBLNRQSBG-BEFAXECRSA-N -1 1 345.443 2.621 10 0 EFAEMM CCC[C@H](C)CC(=O)N(CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001511690768 1413078317 /nfs/dbraw/zinc/07/83/17/1413078317.db2.gz RKNAKYBHFMWBQS-HNNXBMFYSA-N -1 1 349.475 2.923 10 0 EFAEMM CCC[C@@H](C)CC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001511760225 1413119930 /nfs/dbraw/zinc/11/99/30/1413119930.db2.gz UBNUHDWWHUSANX-HIFRSBDPSA-N 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O=C(NCCNc1ccc2ccccc2n1)c1ccc(F)c([O-])c1 ZINC001557166899 1415109453 /nfs/dbraw/zinc/10/94/53/1415109453.db2.gz NFWSCKFGIAEVNF-UHFFFAOYSA-N -1 1 325.343 2.921 10 0 EFAEMM O=C(N[C@@H](Cc1ccccc1)c1ncon1)c1cc(F)ccc1[O-] ZINC001557268838 1415116369 /nfs/dbraw/zinc/11/63/69/1415116369.db2.gz DAMLGLAMBXDRDH-AWEZNQCLSA-N -1 1 327.315 2.628 10 0 EFAEMM CC(=O)NCc1ccc(CNC(=O)c2ncc3ccccc3c2[O-])cc1 ZINC001557446670 1415126444 /nfs/dbraw/zinc/12/64/44/1415126444.db2.gz CCZNTBZRWZHCHQ-UHFFFAOYSA-N -1 1 349.390 2.507 10 0 EFAEMM O=C(CCn1cnccc1=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001557587633 1415133081 /nfs/dbraw/zinc/13/30/81/1415133081.db2.gz WVAMVMUXOLVGBM-UHFFFAOYSA-N -1 1 343.770 2.784 10 0 EFAEMM O=C(Nc1cccc(F)c1[O-])c1cc(N2CCOC2=O)ccc1F ZINC001557955432 1415152303 /nfs/dbraw/zinc/15/23/03/1415152303.db2.gz BJWXYJSAFIFQBW-UHFFFAOYSA-N -1 1 334.278 2.879 10 0 EFAEMM O=Cc1ccc(OC(F)(F)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001557957122 1415152412 /nfs/dbraw/zinc/15/24/12/1415152412.db2.gz SFWVBEBCYPIPMN-UHFFFAOYSA-N -1 1 325.242 2.954 10 0 EFAEMM Cc1nc(Cl)c(Cl)cc1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001558163266 1415163441 /nfs/dbraw/zinc/16/34/41/1415163441.db2.gz KXZUEMRIVSCYCR-UHFFFAOYSA-N -1 1 343.218 2.508 10 0 EFAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC001558257072 1415168784 /nfs/dbraw/zinc/16/87/84/1415168784.db2.gz TZDSAVWONJTBSW-AAEUAGOBSA-N -1 1 345.317 2.743 10 0 EFAEMM Cc1nc(NC(=O)c2ccc(F)c([O-])c2)n(-c2ccc(F)cc2C)n1 ZINC001558591814 1415191877 /nfs/dbraw/zinc/19/18/77/1415191877.db2.gz BKZRSYRWDCVOME-UHFFFAOYSA-N -1 1 344.321 2.542 10 0 EFAEMM O=C(Cc1c[nH]c2cnc(Cl)cc12)Nc1n[n-]c(C(F)(F)F)n1 ZINC001558907627 1415210451 /nfs/dbraw/zinc/21/04/51/1415210451.db2.gz BQARHGNDYSBWSM-UHFFFAOYSA-N -1 1 344.684 2.534 10 0 EFAEMM O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc([O-])c(F)c1F ZINC001558981197 1415215715 /nfs/dbraw/zinc/21/57/15/1415215715.db2.gz BYKXGJWCJQFZBB-UHFFFAOYSA-N -1 1 331.278 2.500 10 0 EFAEMM O=C(Nc1cc(-c2cccs2)on1)c1ccc2n[n-]c(=S)n2c1 ZINC001559009713 1415217991 /nfs/dbraw/zinc/21/79/91/1415217991.db2.gz STMJMDKDXVWXLE-UHFFFAOYSA-N -1 1 343.393 2.987 10 0 EFAEMM Cc1ccc(CCCCC(=O)NC2(c3nnn[n-]3)CCCC2)cc1 ZINC000345476053 1428890414 /nfs/dbraw/zinc/89/04/14/1428890414.db2.gz FUEBAOIITNAPSQ-UHFFFAOYSA-N -1 1 327.432 2.807 10 0 EFAEMM CCCCOC(=O)CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001565651495 1415408348 /nfs/dbraw/zinc/40/83/48/1415408348.db2.gz CKJDOKIINYONGD-UHFFFAOYSA-N -1 1 345.351 2.538 10 0 EFAEMM Cc1ccc(COc2cccc(NC(=O)CCc3nn[n-]n3)c2)cc1 ZINC001565768442 1415414759 /nfs/dbraw/zinc/41/47/59/1415414759.db2.gz VBVGQCJBNSWZSM-UHFFFAOYSA-N -1 1 337.383 2.658 10 0 EFAEMM COC(=O)CC(C)(C)NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001565886125 1415444062 /nfs/dbraw/zinc/44/40/62/1415444062.db2.gz BIJCZMMVGBHOJT-UHFFFAOYSA-N -1 1 345.351 2.536 10 0 EFAEMM CC[C@H](C)[C@@H](C)N(C(=O)c1cccc(Nc2nn[n-]n2)c1)C1CC1 ZINC000900589820 1428941260 /nfs/dbraw/zinc/94/12/60/1428941260.db2.gz ZPWTYHUAOGMLMO-NWDGAFQWSA-N -1 1 328.420 2.983 10 0 EFAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC001566304830 1415539490 /nfs/dbraw/zinc/53/94/90/1415539490.db2.gz XDMFWBSHMOCWLX-AWEZNQCLSA-N -1 1 340.408 2.701 10 0 EFAEMM COc1c2ccccc2[nH]c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000348629307 1428955073 /nfs/dbraw/zinc/95/50/73/1428955073.db2.gz AZMLRCVQMHMEJA-UHFFFAOYSA-N -1 1 334.339 2.609 10 0 EFAEMM Cc1ncccc1/C=C/C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC001566853724 1415799609 /nfs/dbraw/zinc/79/96/09/1415799609.db2.gz SGODAITUOQYQAT-VMPITWQZSA-N -1 1 349.387 2.553 10 0 EFAEMM Cc1ccc2c(CC(=O)N3CCC[C@@H](c4nnn[n-]4)C3)coc2c1C ZINC000129282623 1429050650 /nfs/dbraw/zinc/05/06/50/1429050650.db2.gz FQPGCBWWBJKLCO-CYBMUJFWSA-N -1 1 339.399 2.511 10 0 EFAEMM CSc1ncc(C(=O)Nc2ccc(O)cc2OC(C)C)c(=O)[n-]1 ZINC001567521000 1416171391 /nfs/dbraw/zinc/17/13/91/1416171391.db2.gz DDWGWOBCORZFJD-UHFFFAOYSA-N -1 1 335.385 2.649 10 0 EFAEMM O=C(CN1CSCC1=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001646031535 1416603748 /nfs/dbraw/zinc/60/37/48/1416603748.db2.gz DFYMOCPRHAYHGY-UHFFFAOYSA-N -1 1 336.800 2.670 10 0 EFAEMM CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc3cncn3c2C)c1 ZINC001646060734 1416606905 /nfs/dbraw/zinc/60/69/05/1416606905.db2.gz CXLGVKCXJZJFGG-UHFFFAOYSA-N -1 1 327.315 2.942 10 0 EFAEMM CN(CCNC(=O)CCCCC(C)(C)C)C(=O)c1ncccc1[O-] ZINC001688331489 1416953517 /nfs/dbraw/zinc/95/35/17/1416953517.db2.gz LICKUHWUKGZYEW-UHFFFAOYSA-N -1 1 335.448 2.582 10 0 EFAEMM CC[C@]1(C)C[C@@H]1C(=O)N(CCCNC(=O)c1ncccc1[O-])C(C)C ZINC001688518346 1416978000 /nfs/dbraw/zinc/97/80/00/1416978000.db2.gz LZNBKAFKDOBEQY-AUUYWEPGSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCCC[C@@H](C(=O)N1CC(NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001704510626 1417970704 /nfs/dbraw/zinc/97/07/04/1417970704.db2.gz XBDKLBZWJIDGKV-OAHLLOKOSA-N -1 1 347.459 2.580 10 0 EFAEMM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(CC)cc1 ZINC000909012772 1429233839 /nfs/dbraw/zinc/23/38/39/1429233839.db2.gz AYTGCTSZHWSJKR-UHFFFAOYSA-N -1 1 336.399 2.881 10 0 EFAEMM O=C(CC1CCC(C(F)(F)F)CC1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000128217824 1429329670 /nfs/dbraw/zinc/32/96/70/1429329670.db2.gz TUDKPLJSEHYTDH-CXQJBGSLSA-N -1 1 345.369 2.665 10 0 EFAEMM CCC(=CC(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-])CC ZINC001718121995 1422094705 /nfs/dbraw/zinc/09/47/05/1422094705.db2.gz KVOOJBSTJCRUEU-UHFFFAOYSA-N -1 1 347.459 2.748 10 0 EFAEMM CCC(=CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)CC ZINC001718360282 1422218649 /nfs/dbraw/zinc/21/86/49/1422218649.db2.gz GVBCKNQNVLXSGV-HUUCEWRRSA-N -1 1 345.443 2.691 10 0 EFAEMM CCCCCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001718736181 1422452399 /nfs/dbraw/zinc/45/23/99/1422452399.db2.gz ALNXQJSLXAKEPD-HUUCEWRRSA-N -1 1 347.459 2.772 10 0 EFAEMM CC(C)(C)CCC(=O)N1CC=C(CNC(=O)c2ncccc2[O-])CC1 ZINC001718865817 1422513272 /nfs/dbraw/zinc/51/32/72/1422513272.db2.gz PEWYLJRSQTUBGL-UHFFFAOYSA-N -1 1 345.443 2.502 10 0 EFAEMM CCCCCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001718903453 1422544078 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