smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(O)c2)cc1F ZINC001596288565 983708380 /nfs/dbraw/zinc/70/83/80/983708380.db2.gz PCXDTKZNLPVBFY-SFHVURJKSA-N 0 0 346.402 3.293 20 10 EGCDRN CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001589205502 985670081 /nfs/dbraw/zinc/67/00/81/985670081.db2.gz MBKCGNGAANPJRV-NEPJUHHUSA-N 0 0 342.395 3.461 20 10 EGCDRN COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)c2c1 ZINC001599635665 994284795 /nfs/dbraw/zinc/28/47/95/994284795.db2.gz CJQAGOUFXDMDIY-FUHWJXTLSA-N 0 0 341.407 3.097 20 10 EGCDRN COc1cc(C)cc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1O ZINC001599392714 997067520 /nfs/dbraw/zinc/06/75/20/997067520.db2.gz ZLGLBXAIZLKOTI-UHFFFAOYSA-N 0 0 329.396 3.186 20 10 EGCDRN COc1cc(C[N@@H+]2CCC[C@](C)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001599407704 997356165 /nfs/dbraw/zinc/35/61/65/997356165.db2.gz QHCILVGGSVSFMI-IBGZPJMESA-N 0 0 335.444 3.385 20 10 EGCDRN COc1cc(Cl)cc(C[N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1O ZINC001599420308 997582485 /nfs/dbraw/zinc/58/24/85/997582485.db2.gz FEBOIPJPBRLUII-UHFFFAOYSA-N 0 0 347.798 3.311 20 10 EGCDRN COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)[O-])c1O ZINC001599421035 997594305 /nfs/dbraw/zinc/59/43/05/997594305.db2.gz YGKJSOQSWWVWQC-LRDDRELGSA-N 0 0 327.808 3.177 20 10 EGCDRN COc1ccc(C[NH2+][C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1C ZINC001599571305 998369105 /nfs/dbraw/zinc/36/91/05/998369105.db2.gz ONQCFZXCGNZFBW-SFHVURJKSA-N 0 0 344.367 3.001 20 10 EGCDRN CN(C)c1ccc(CNC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000032712266 202230962 /nfs/dbraw/zinc/23/09/62/202230962.db2.gz JSTSKLZOGWZUEH-UHFFFAOYSA-N 0 0 338.451 3.117 20 10 EGCDRN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCCn2nccc21 ZINC000299466959 202500560 /nfs/dbraw/zinc/50/05/60/202500560.db2.gz BRUAVIQHEQJHTE-MDZDMXLPSA-N 0 0 347.422 3.136 20 10 EGCDRN O=C(c1ccc(Cl)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000069653704 203031826 /nfs/dbraw/zinc/03/18/26/203031826.db2.gz KDVSUOMHAFZJKK-OAHLLOKOSA-N 0 0 346.814 3.262 20 10 EGCDRN CCCCc1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000069707600 203040943 /nfs/dbraw/zinc/04/09/43/203040943.db2.gz BKFARLMWKDMEQZ-MRXNPFEDSA-N 0 0 345.443 3.299 20 10 EGCDRN Cc1ccoc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000055530262 132195305 /nfs/dbraw/zinc/19/53/05/132195305.db2.gz CDXRKNBXXRLVQL-OKILXGFUSA-N 0 0 346.402 3.271 20 10 EGCDRN Cc1cc(C)[nH]c(=NNC(=S)Nc2ccc(F)c(Cl)c2)n1 ZINC000007556703 274694493 /nfs/dbraw/zinc/69/44/93/274694493.db2.gz NPUVILXPTRRMPB-UHFFFAOYSA-N 0 0 325.800 3.199 20 10 EGCDRN Cc1ncc(/C=C/C(=O)N2CCC[C@H](O)c3cc(F)ccc32)s1 ZINC000493704065 311418076 /nfs/dbraw/zinc/41/80/76/311418076.db2.gz GOPCGLLSVHYNTD-YERXGYGTSA-N 0 0 332.400 3.464 20 10 EGCDRN C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192863815 455708167 /nfs/dbraw/zinc/70/81/67/455708167.db2.gz VFTCRPOZTBPDQI-NSHDSACASA-N 0 0 347.286 3.460 20 10 EGCDRN CCc1ncsc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000157673206 455219065 /nfs/dbraw/zinc/21/90/65/455219065.db2.gz WVLQHRPHXBGMOQ-VMPITWQZSA-N 0 0 343.452 3.194 20 10 EGCDRN Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000237994666 455242450 /nfs/dbraw/zinc/24/24/50/455242450.db2.gz GYAVEKFOWYUAND-CQSZACIVSA-N 0 0 338.411 3.151 20 10 EGCDRN CC(C)[C@H]1CCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264585873 455243020 /nfs/dbraw/zinc/24/30/20/455243020.db2.gz XDYZRGKVIZWUPC-QPGLYAHGSA-N 0 0 328.456 3.183 20 10 EGCDRN Cc1ccc(O[C@@H](C)CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000173222877 455250037 /nfs/dbraw/zinc/25/00/37/455250037.db2.gz NLHXXQRFPYIMOE-HNNXBMFYSA-N 0 0 328.412 3.310 20 10 EGCDRN Cc1nc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000264636434 455253799 /nfs/dbraw/zinc/25/37/99/455253799.db2.gz VACMYGYOHRVWJZ-LBPRGKRZSA-N 0 0 335.448 3.278 20 10 EGCDRN CC(C)(C)Oc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000180883877 455260203 /nfs/dbraw/zinc/26/02/03/455260203.db2.gz OCWGPSHKVUPADX-UHFFFAOYSA-N 0 0 331.372 3.163 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000181015842 455276902 /nfs/dbraw/zinc/27/69/02/455276902.db2.gz MDGVSPIOBJIUJG-ORRSMYTKSA-N 0 0 339.391 3.148 20 10 EGCDRN CCSc1nnc(SCC(=O)c2ccc(O)c(O)c2)s1 ZINC000005450385 452873554 /nfs/dbraw/zinc/87/35/54/452873554.db2.gz VETZEUDYCNKYDO-UHFFFAOYSA-N 0 0 328.440 3.036 20 10 EGCDRN CN(C)c1ccc(CN(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000007187639 453041255 /nfs/dbraw/zinc/04/12/55/453041255.db2.gz WJSRMLLYDGYZRV-UHFFFAOYSA-N 0 0 330.344 3.205 20 10 EGCDRN CN(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1 ZINC000007883819 453129682 /nfs/dbraw/zinc/12/96/82/453129682.db2.gz DPJPMEBSNWEAKF-UHFFFAOYSA-N 0 0 341.436 3.302 20 10 EGCDRN CN(C)c1ccc(CN(C)Cn2[nH]c(C(C)(C)C)nc2=S)cc1 ZINC000012543213 453369077 /nfs/dbraw/zinc/36/90/77/453369077.db2.gz SSTWKYVUWLFVQL-UHFFFAOYSA-N 0 0 333.505 3.394 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(Cl)c1 ZINC000012565279 453376157 /nfs/dbraw/zinc/37/61/57/453376157.db2.gz JKVDYEDVTXMTKV-UHFFFAOYSA-N 0 0 344.842 3.449 20 10 EGCDRN CC[C@H]([NH2+]CCCn1ccnc1)c1cc(Br)ccc1O ZINC000020506226 453666326 /nfs/dbraw/zinc/66/63/26/453666326.db2.gz KCXQXVFAYJNCCF-AWEZNQCLSA-N 0 0 338.249 3.482 20 10 EGCDRN CC(C)C(=O)Nc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000028894811 453825317 /nfs/dbraw/zinc/82/53/17/453825317.db2.gz QWXSAYHHQZUAQE-UHFFFAOYSA-N 0 0 339.439 3.277 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1[C@@H]1CCCO1 ZINC000075159485 453867933 /nfs/dbraw/zinc/86/79/33/453867933.db2.gz JSSXXMBATSHODN-INIZCTEOSA-N 0 0 342.395 3.041 20 10 EGCDRN Cc1[nH]c(=S)sc1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000053638691 453890999 /nfs/dbraw/zinc/89/09/99/453890999.db2.gz HQNQFASJHGHYJM-UHFFFAOYSA-N 0 0 335.498 3.007 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccccn2)cc1F ZINC000066978985 453892047 /nfs/dbraw/zinc/89/20/47/453892047.db2.gz LMQGEQQCRBMURQ-UHFFFAOYSA-N 0 0 344.434 3.409 20 10 EGCDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000067140900 453905871 /nfs/dbraw/zinc/90/58/71/453905871.db2.gz ARSFQBVPHDVPGM-UHFFFAOYSA-N 0 0 327.384 3.241 20 10 EGCDRN COc1ccc(N2CCCN(Cc3cccc(Cl)n3)CC2)cc1 ZINC000075643584 453914450 /nfs/dbraw/zinc/91/44/50/453914450.db2.gz KOGZRYXHKDUWLM-UHFFFAOYSA-N 0 0 331.847 3.456 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc2c(c1)CCO2 ZINC000055207426 453969256 /nfs/dbraw/zinc/96/92/56/453969256.db2.gz BOTCETNORQFYGP-UHFFFAOYSA-N 0 0 338.451 3.279 20 10 EGCDRN C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000084923463 454015796 /nfs/dbraw/zinc/01/57/96/454015796.db2.gz VTRZSUMZMRVFGD-GFCCVEGCSA-N 0 0 333.432 3.084 20 10 EGCDRN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1N(C)C ZINC000190933710 455408318 /nfs/dbraw/zinc/40/83/18/455408318.db2.gz KCUGVFVIIIZQSW-CYBMUJFWSA-N 0 0 343.427 3.225 20 10 EGCDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000056763255 454078390 /nfs/dbraw/zinc/07/83/90/454078390.db2.gz FMWOWIOIVZYQMY-HNNXBMFYSA-N 0 0 341.455 3.231 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N[C@H](CCCO)c2ccccc2)cc1 ZINC000077516890 454116629 /nfs/dbraw/zinc/11/66/29/454116629.db2.gz NPTNQCWFGFRLPZ-LJQANCHMSA-N 0 0 341.455 3.066 20 10 EGCDRN Cc1nc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cs1 ZINC000045342864 454153466 /nfs/dbraw/zinc/15/34/66/454153466.db2.gz POQHDHBHVAGWSQ-UHFFFAOYSA-N 0 0 330.457 3.051 20 10 EGCDRN COc1ccc(N2CCN(C(=O)[C@H](C)c3cccs3)CC2)cc1 ZINC000078032018 454178212 /nfs/dbraw/zinc/17/82/12/454178212.db2.gz VBHGRAOHDPCNQV-CQSZACIVSA-N 0 0 330.453 3.209 20 10 EGCDRN OC1CCN(c2ccc(CNc3ccc(Cl)cn3)cc2F)CC1 ZINC000266204592 455424568 /nfs/dbraw/zinc/42/45/68/455424568.db2.gz KIVLPGJYHOVTPD-UHFFFAOYSA-N 0 0 335.810 3.447 20 10 EGCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2NC1=O ZINC000089838881 454213637 /nfs/dbraw/zinc/21/36/37/454213637.db2.gz AREXYUWBCBTFJL-CRALRDPISA-N 0 0 341.798 3.370 20 10 EGCDRN COc1ccc(N(CCCS(=O)(=O)C(C)C)C(C)C)cc1F ZINC000119753860 454218100 /nfs/dbraw/zinc/21/81/00/454218100.db2.gz LNRBXSKLXUVZPM-UHFFFAOYSA-N 0 0 331.453 3.262 20 10 EGCDRN COCc1ccccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058622871 454221530 /nfs/dbraw/zinc/22/15/30/454221530.db2.gz JWUBXLNNXQYDDF-UHFFFAOYSA-N 0 0 331.391 3.360 20 10 EGCDRN C[C@H]1CC[C@H](CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000131571440 454266555 /nfs/dbraw/zinc/26/65/55/454266555.db2.gz FKNPRQAJLKLDCK-GJZGRUSLSA-N 0 0 348.462 3.229 20 10 EGCDRN Cc1cnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000078654590 454293653 /nfs/dbraw/zinc/29/36/53/454293653.db2.gz WHNZKKOKLPYYQM-CQSZACIVSA-N 0 0 342.399 3.308 20 10 EGCDRN O=C(c1ccc(F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072622159 454319694 /nfs/dbraw/zinc/31/96/94/454319694.db2.gz OREAZHWERVYCFG-QGZVFWFLSA-N 0 0 329.371 3.353 20 10 EGCDRN O=C(NC[C@@H]1CCCO1)N(Cc1ccccc1O)C1CCCCC1 ZINC000078802543 454321794 /nfs/dbraw/zinc/32/17/94/454321794.db2.gz CWILUEXDPHHJPT-KRWDZBQOSA-N 0 0 332.444 3.416 20 10 EGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nccs1 ZINC000047036413 454322628 /nfs/dbraw/zinc/32/26/28/454322628.db2.gz NQVUBJHVXMZAAX-UHFFFAOYSA-N 0 0 334.470 3.018 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)CCC2CCOCC2)c1[O-] ZINC000120689837 454334610 /nfs/dbraw/zinc/33/46/10/454334610.db2.gz PIWPBRMNZQJSPM-UHFFFAOYSA-N 0 0 325.836 3.497 20 10 EGCDRN c1cc(N2CCCCC2)ccc1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091926330 454490016 /nfs/dbraw/zinc/49/00/16/454490016.db2.gz JKDSTJIVCJYFLQ-VQTJNVASSA-N 0 0 330.472 3.057 20 10 EGCDRN Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccccc3O)C2)cc1 ZINC000073939469 454504406 /nfs/dbraw/zinc/50/44/06/454504406.db2.gz XFEDLPDGRRUUDL-QGZVFWFLSA-N 0 0 339.439 3.169 20 10 EGCDRN CCN(CC)c1ccc(CNc2ccccc2OCCC(N)=O)cc1 ZINC000122359667 454526508 /nfs/dbraw/zinc/52/65/08/454526508.db2.gz YBBRZOHWCIJDLD-UHFFFAOYSA-N 0 0 341.455 3.399 20 10 EGCDRN Cc1cnc(C(C)(C)NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000080058607 454527561 /nfs/dbraw/zinc/52/75/61/454527561.db2.gz PLFQIMWARYRNCX-UHFFFAOYSA-N 0 0 332.473 3.252 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000266769106 455450223 /nfs/dbraw/zinc/45/02/23/455450223.db2.gz IIFQHXYAJZPLIT-MRXNPFEDSA-N 0 0 349.519 3.470 20 10 EGCDRN Cc1ccc(C(=O)N2CCN(Cc3ccc(N(C)C)cc3)CC2)s1 ZINC000092379566 454558685 /nfs/dbraw/zinc/55/86/85/454558685.db2.gz HPQVLCCKWHOEQH-UHFFFAOYSA-N 0 0 343.496 3.081 20 10 EGCDRN Cc1ccc(-c2cncc(C(=O)NCCc3ccc(O)c(O)c3)c2)cc1 ZINC000122917967 454582342 /nfs/dbraw/zinc/58/23/42/454582342.db2.gz LPZSHXGUSCFLEA-UHFFFAOYSA-N 0 0 348.402 3.441 20 10 EGCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000104774944 454603028 /nfs/dbraw/zinc/60/30/28/454603028.db2.gz AERPNAABCRIPNU-OAHLLOKOSA-N 0 0 332.473 3.468 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(NC(C)=O)ccc1O ZINC000123294934 454622393 /nfs/dbraw/zinc/62/23/93/454622393.db2.gz ZSDQHOCUXIFPCL-UHFFFAOYSA-N 0 0 342.395 3.109 20 10 EGCDRN Cc1cccc(C)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000074719722 454624556 /nfs/dbraw/zinc/62/45/56/454624556.db2.gz JXSHMHVBVLGIPI-UHFFFAOYSA-N 0 0 342.414 3.209 20 10 EGCDRN Cc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ncc1[N+](=O)[O-] ZINC000074738814 454627250 /nfs/dbraw/zinc/62/72/50/454627250.db2.gz DDYKEIFHQQNFOC-UHFFFAOYSA-N 0 0 335.367 3.468 20 10 EGCDRN COc1cccc(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000105651319 454648241 /nfs/dbraw/zinc/64/82/41/454648241.db2.gz IVSRLCJNOZMCLC-ZYHUDNBSSA-N 0 0 331.334 3.386 20 10 EGCDRN CCN(CC)c1ccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)cc1 ZINC000123626252 454658587 /nfs/dbraw/zinc/65/85/87/454658587.db2.gz DURTZHQPGWNGFQ-UHFFFAOYSA-N 0 0 331.504 3.223 20 10 EGCDRN CC(C)CC(=O)Nc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000066153930 454660791 /nfs/dbraw/zinc/66/07/91/454660791.db2.gz TVXIRNBGQAJVLM-UHFFFAOYSA-N 0 0 325.412 3.435 20 10 EGCDRN COc1cccc(CNC(=O)C2(Cc3ccccc3)CCC2)c1O ZINC000136615461 454749049 /nfs/dbraw/zinc/74/90/49/454749049.db2.gz BFYMPDUKGYYGPB-UHFFFAOYSA-N 0 0 325.408 3.430 20 10 EGCDRN CC(C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)=C1CCCC1 ZINC000176515657 454754492 /nfs/dbraw/zinc/75/44/92/454754492.db2.gz KURQQLFFNKXQHB-UHFFFAOYSA-N 0 0 328.456 3.372 20 10 EGCDRN CCc1nnsc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108296090 454791867 /nfs/dbraw/zinc/79/18/67/454791867.db2.gz DHEGJSWJXDSFLY-UHFFFAOYSA-N 0 0 344.484 3.267 20 10 EGCDRN COCC[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108570178 454804143 /nfs/dbraw/zinc/80/41/43/454804143.db2.gz ZBVINKZFDNDBNY-INIZCTEOSA-N 0 0 333.476 3.147 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc2ccccc2s1 ZINC000125357753 454816654 /nfs/dbraw/zinc/81/66/54/454816654.db2.gz KMPPHFXZHOWEFC-UHFFFAOYSA-N 0 0 339.420 3.402 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)NO[C@H]3CCCCO3)cc2)CC1 ZINC000163078150 454821813 /nfs/dbraw/zinc/82/18/13/454821813.db2.gz ALVUPCUQIKXBKW-SFHVURJKSA-N 0 0 347.459 3.180 20 10 EGCDRN COc1ccccc1[C@H](NCc1cccc(C)c1O)c1noc(C)n1 ZINC000182227514 455466013 /nfs/dbraw/zinc/46/60/13/455466013.db2.gz CUGFEJCNCNPYIH-KRWDZBQOSA-N 0 0 339.395 3.280 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@](C)(O)c1ccccc1 ZINC000182241290 455470220 /nfs/dbraw/zinc/47/02/20/455470220.db2.gz LUFFPEAQASVTPH-NRFANRHFSA-N 0 0 340.467 3.399 20 10 EGCDRN COc1ccc(N(Cc2ccco2)Cc2nnc(C)n2C)cc1F ZINC000150863681 454904603 /nfs/dbraw/zinc/90/46/03/454904603.db2.gz IYKORIAZVHJPJI-UHFFFAOYSA-N 0 0 330.363 3.071 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2csc([C@@H]3CCCO3)n2)cc1 ZINC000160731278 455493114 /nfs/dbraw/zinc/49/31/14/455493114.db2.gz KOMAPIQMQIHWAL-INIZCTEOSA-N 0 0 345.468 3.333 20 10 EGCDRN COCCOc1ccc(Cl)cc1C(=O)N(C)Cc1ccccc1O ZINC000178131615 454937104 /nfs/dbraw/zinc/93/71/04/454937104.db2.gz SDZADZVXZNKEDU-UHFFFAOYSA-N 0 0 349.814 3.343 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(n3ccnn3)CC2)cc1 ZINC000155666515 455028535 /nfs/dbraw/zinc/02/85/35/455028535.db2.gz VHNQNGKQTHJMJU-UHFFFAOYSA-N 0 0 349.438 3.163 20 10 EGCDRN Cc1cccc(NC(=O)N2CCN(Cc3ccccc3O)CC2)c1 ZINC000179566750 455058428 /nfs/dbraw/zinc/05/84/28/455058428.db2.gz ZPLMDSMWBIEBRM-UHFFFAOYSA-N 0 0 325.412 3.050 20 10 EGCDRN 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0 0 348.468 3.390 20 10 EGCDRN CC[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(F)cc1[O-] ZINC000285736233 455906397 /nfs/dbraw/zinc/90/63/97/455906397.db2.gz RBAWQXHMVUBWEE-ZDUSSCGKSA-N 0 0 342.212 3.231 20 10 EGCDRN Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)CC2 ZINC000296425164 455935828 /nfs/dbraw/zinc/93/58/28/455935828.db2.gz LQMYYBGGPGSTQX-GOEBONIOSA-N 0 0 348.240 3.465 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1[O-] ZINC000187717561 455943091 /nfs/dbraw/zinc/94/30/91/455943091.db2.gz UYAGGXBWOSXNMZ-WDEREUQCSA-N 0 0 342.386 3.330 20 10 EGCDRN Cc1cccnc1C(F)(F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195393325 455955339 /nfs/dbraw/zinc/95/53/39/455955339.db2.gz CMGJFUPJUGAYHE-UHFFFAOYSA-N 0 0 337.345 3.003 20 10 EGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000187808027 455955556 /nfs/dbraw/zinc/95/55/56/455955556.db2.gz CXDDVQSRHYIGKN-BMLIUANNSA-N 0 0 325.330 3.368 20 10 EGCDRN CC1CCN(c2ccc(CN3C(=O)[C@H]4CCCCN4C3=O)cc2)CC1 ZINC000272456595 455956105 /nfs/dbraw/zinc/95/61/05/455956105.db2.gz PTGOHGNULOYYIU-GOSISDBHSA-N 0 0 341.455 3.240 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(F)c(F)c1[O-] ZINC000187911768 455967953 /nfs/dbraw/zinc/96/79/53/455967953.db2.gz YDEFXFUEASGENP-LLVKDONJSA-N 0 0 348.349 3.478 20 10 EGCDRN COc1ccc(N(Cc2ccco2)C[C@@H](O)CSC)cc1F ZINC000188068416 455991275 /nfs/dbraw/zinc/99/12/75/455991275.db2.gz YIFNBOMKAAMHJQ-CYBMUJFWSA-N 0 0 325.405 3.158 20 10 EGCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000272560307 455993871 /nfs/dbraw/zinc/99/38/71/455993871.db2.gz LSTBQBJFUMCJOU-CVEARBPZSA-N 0 0 332.488 3.194 20 10 EGCDRN CC[C@H](C)[C@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000272560309 455994493 /nfs/dbraw/zinc/99/44/93/455994493.db2.gz LSTBQBJFUMCJOU-HOTGVXAUSA-N 0 0 332.488 3.194 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000270672887 456011555 /nfs/dbraw/zinc/01/15/55/456011555.db2.gz WORWRYAYFMZPTB-WBVHZDCISA-N 0 0 333.476 3.146 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@@](F)(CO)C2)c(C)n1-c1ccccc1 ZINC000286633280 456051339 /nfs/dbraw/zinc/05/13/39/456051339.db2.gz CQKNQSIZMSWDBS-IBGZPJMESA-N 0 0 330.403 3.031 20 10 EGCDRN CC[C@@H]1C[C@H](CC(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000272765169 456064324 /nfs/dbraw/zinc/06/43/24/456064324.db2.gz PWFQLUPDDNRBHX-CRAIPNDOSA-N 0 0 330.472 3.281 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000272782964 456069460 /nfs/dbraw/zinc/06/94/60/456069460.db2.gz VINSUBHZPMDDNN-HXUWFJFHSA-N 0 0 327.424 3.429 20 10 EGCDRN CNC(=O)COc1ccc(N[C@@H](C)c2cc(C)ccc2O)c(C)c1 ZINC000280875520 456070555 /nfs/dbraw/zinc/07/05/55/456070555.db2.gz DDZWWFOELPNVSD-AWEZNQCLSA-N 0 0 328.412 3.307 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCOC[C@H]1C ZINC000287732693 456076228 /nfs/dbraw/zinc/07/62/28/456076228.db2.gz CYCCFLJKCPBGIP-HZPDHXFCSA-N 0 0 334.460 3.377 20 10 EGCDRN COCc1nc(C)cc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000301354145 456098219 /nfs/dbraw/zinc/09/82/19/456098219.db2.gz NVKJDBQNPJMDKZ-UHFFFAOYSA-N 0 0 344.484 3.097 20 10 EGCDRN CC(C)n1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000289015574 456111224 /nfs/dbraw/zinc/11/12/24/456111224.db2.gz FXMWAHGVIBQYEH-UHFFFAOYSA-N 0 0 327.476 3.481 20 10 EGCDRN Cn1ccc(-c2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)c1 ZINC000289392713 456123356 /nfs/dbraw/zinc/12/33/56/456123356.db2.gz MHLILTWSYICGJZ-QPJJXVBHSA-N 0 0 336.395 3.082 20 10 EGCDRN COc1ccc(O)c(CNc2nc(-c3cccnc3)nc(C)c2C)c1 ZINC000301600664 456157660 /nfs/dbraw/zinc/15/76/60/456157660.db2.gz VAKKTMAXSCPWDC-UHFFFAOYSA-N 0 0 336.395 3.482 20 10 EGCDRN CC(C)[C@H]1C[C@@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000273045528 456158027 /nfs/dbraw/zinc/15/80/27/456158027.db2.gz AQJWMMMKRJIXSJ-MAUKXSAKSA-N 0 0 346.471 3.319 20 10 EGCDRN CC(C)c1scnc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000289913761 456179154 /nfs/dbraw/zinc/17/91/54/456179154.db2.gz RCYYOUPYBBKMEZ-JTQLQIEISA-N 0 0 335.429 3.430 20 10 EGCDRN C[C@H](CCO)CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000297309209 456180638 /nfs/dbraw/zinc/18/06/38/456180638.db2.gz QTODZKJWPANCCW-INIZCTEOSA-N 0 0 347.503 3.131 20 10 EGCDRN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000271245654 456189462 /nfs/dbraw/zinc/18/94/62/456189462.db2.gz BZTSUEIXRWLXMZ-AEFFLSMTSA-N 0 0 345.487 3.386 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2nc[nH]c2n1 ZINC000273253744 456221742 /nfs/dbraw/zinc/22/17/42/456221742.db2.gz AXFXGDZHKDUIGN-UHFFFAOYSA-N 0 0 337.427 3.075 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273302174 456222493 /nfs/dbraw/zinc/22/24/93/456222493.db2.gz BOSBPQGSZXPTFN-ABAIWWIYSA-N 0 0 335.429 3.315 20 10 EGCDRN CN(Cc1cnc(Br)s1)c1ccc2c(c1)OCO2 ZINC000290039581 456222831 /nfs/dbraw/zinc/22/28/31/456222831.db2.gz NYCLTZIIPLQFAE-UHFFFAOYSA-N 0 0 327.203 3.271 20 10 EGCDRN Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000189088624 456223001 /nfs/dbraw/zinc/22/30/01/456223001.db2.gz VBACMGYFODPMSM-RDTXWAMCSA-N 0 0 342.414 3.291 20 10 EGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(OC)c(OC)c2)c1 ZINC000273354365 456224987 /nfs/dbraw/zinc/22/49/87/456224987.db2.gz CGYPQVUFVJSUNP-LLVKDONJSA-N 0 0 331.368 3.369 20 10 EGCDRN CCc1nc(CC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cs1 ZINC000273361068 456225652 /nfs/dbraw/zinc/22/56/52/456225652.db2.gz AKIRFTRDFAJUTJ-NSHDSACASA-N 0 0 334.441 3.091 20 10 EGCDRN C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273463055 456231954 /nfs/dbraw/zinc/23/19/54/456231954.db2.gz DEQPUSAPKBNEHJ-DZGCQCFKSA-N 0 0 330.384 3.117 20 10 EGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273466034 456233199 /nfs/dbraw/zinc/23/31/99/456233199.db2.gz DSCWSRXGLCOBAS-LBPRGKRZSA-N 0 0 344.367 3.313 20 10 EGCDRN CC(=O)[C@@H]1C[C@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)C1(C)C ZINC000273483800 456234781 /nfs/dbraw/zinc/23/47/81/456234781.db2.gz JHOUOOFXZSNHHV-ZBFHGGJFSA-N 0 0 344.455 3.119 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000273486900 456235459 /nfs/dbraw/zinc/23/54/59/456235459.db2.gz NKPCIKHGVMEXCG-MZTNWIODSA-N 0 0 345.439 3.177 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000273554513 456237846 /nfs/dbraw/zinc/23/78/46/456237846.db2.gz GQTAJRBOZBCZDZ-OLZOCXBDSA-N 0 0 329.396 3.166 20 10 EGCDRN C[C@@H](CF)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000290155228 456253849 /nfs/dbraw/zinc/25/38/49/456253849.db2.gz LLPIVLMMRALLDH-LURJTMIESA-N 0 0 341.018 3.365 20 10 EGCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3C=CCCC3)CC2)cc1F ZINC000189207665 456255382 /nfs/dbraw/zinc/25/53/82/456255382.db2.gz HEJRJSCJXMNMPE-OAHLLOKOSA-N 0 0 332.419 3.229 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(n1)CCC2 ZINC000333731428 456256593 /nfs/dbraw/zinc/25/65/93/456256593.db2.gz WRDVXCUELKLWPD-UHFFFAOYSA-N 0 0 338.411 3.067 20 10 EGCDRN CN(Cc1ccccc1O)c1ccnc(C(=O)NCc2ccccc2)c1 ZINC000301977040 456263412 /nfs/dbraw/zinc/26/34/12/456263412.db2.gz NAOHWPWIWZJGCH-UHFFFAOYSA-N 0 0 347.418 3.354 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=CCCCCC1 ZINC000274829423 456265975 /nfs/dbraw/zinc/26/59/75/456265975.db2.gz YNWCQIQQAMODJJ-UHFFFAOYSA-N 0 0 328.456 3.372 20 10 EGCDRN CCSc1ccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000274897793 456267372 /nfs/dbraw/zinc/26/73/72/456267372.db2.gz FMFNPKFCDTVPQH-CYBMUJFWSA-N 0 0 345.464 3.500 20 10 EGCDRN COc1ccccc1C(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274984630 456268272 /nfs/dbraw/zinc/26/82/72/456268272.db2.gz XVOVYJLZGLBTNK-ZDUSSCGKSA-N 0 0 343.423 3.131 20 10 EGCDRN C[C@H]1CN(c2ccccc2CNc2ccc3c(c2)ncn3C)CCO1 ZINC000297639104 456268419 /nfs/dbraw/zinc/26/84/19/456268419.db2.gz MNJILSVKNUVSTP-HNNXBMFYSA-N 0 0 336.439 3.411 20 10 EGCDRN COc1cccc(CNC(=O)CCSCc2ccccc2)c1O ZINC000281577613 456269425 /nfs/dbraw/zinc/26/94/25/456269425.db2.gz MUGIOSRUNXKPDX-UHFFFAOYSA-N 0 0 331.437 3.341 20 10 EGCDRN COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)c1ccc(OC)cc1 ZINC000275104841 456270288 /nfs/dbraw/zinc/27/02/88/456270288.db2.gz DLXOYOWVGOJSDT-SFHVURJKSA-N 0 0 329.396 3.016 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@@H](O)C(C)(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000275920934 456351333 /nfs/dbraw/zinc/35/13/33/456351333.db2.gz VAMZBZITUPJIRP-GOSISDBHSA-N 0 0 344.430 3.466 20 10 EGCDRN CN(Cc1ccccc1O)c1c(Br)cncc1[N+](=O)[O-] ZINC000302645757 456368369 /nfs/dbraw/zinc/36/83/69/456368369.db2.gz MEBOIPZLFMBPKD-UHFFFAOYSA-N 0 0 338.161 3.094 20 10 EGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccsn2)cc1 ZINC000298538622 456484861 /nfs/dbraw/zinc/48/48/61/456484861.db2.gz BCBASEWJLKEHHJ-UHFFFAOYSA-N 0 0 343.374 3.414 20 10 EGCDRN Cc1nn(C)c(Cl)c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298400687 456445194 /nfs/dbraw/zinc/44/51/94/456445194.db2.gz VCSZBDQLUVENRL-UHFFFAOYSA-N 0 0 346.862 3.253 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1COc2ccccc2C1 ZINC000298401280 456447082 /nfs/dbraw/zinc/44/70/82/456447082.db2.gz NWTJATDTEHBSIG-GOSISDBHSA-N 0 0 336.435 3.154 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](c2ncc[nH]2)C(C)C)c(C)n1-c1ccccn1 ZINC000276561022 456516770 /nfs/dbraw/zinc/51/67/70/456516770.db2.gz JYEJERRXGUTYDL-QGZVFWFLSA-N 0 0 337.427 3.339 20 10 EGCDRN CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C1CC1 ZINC000291103754 456529425 /nfs/dbraw/zinc/52/94/25/456529425.db2.gz UJLGKLXAHGYYCI-SFHVURJKSA-N 0 0 325.456 3.393 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/c1ccnn1CC ZINC000282527660 456541799 /nfs/dbraw/zinc/54/17/99/456541799.db2.gz QBUMKZBYEPKUQE-ZHACJKMWSA-N 0 0 327.428 3.451 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCC2(CCCCC2)O1 ZINC000276753531 456569608 /nfs/dbraw/zinc/56/96/08/456569608.db2.gz QGASSXASAJGZLM-KEDPEKRHSA-N 0 0 331.412 3.109 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1 ZINC000282622088 456571479 /nfs/dbraw/zinc/57/14/79/456571479.db2.gz ZZDQGUQVWSRNHW-UHFFFAOYSA-N 0 0 326.396 3.160 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCc2n[nH]cc2C1 ZINC000299300449 456651707 /nfs/dbraw/zinc/65/17/07/456651707.db2.gz NRVKJRHLUMHIIV-UHFFFAOYSA-N 0 0 326.425 3.077 20 10 EGCDRN CC(C)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)nc1 ZINC000291527676 456669769 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/nfs/dbraw/zinc/50/43/44/1317504344.db2.gz PZIZSJJLPGSEQE-UHFFFAOYSA-N 0 0 332.331 3.064 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(SC)n2)c1 ZINC000806783899 1317524242 /nfs/dbraw/zinc/52/42/42/1317524242.db2.gz QBUKWNHQHWNIOF-SNVBAGLBSA-N 0 0 333.413 3.400 20 10 EGCDRN COc1ccc(O)c(CNC(=O)NCc2ccc(CSC)cc2)c1 ZINC000806810358 1317526216 /nfs/dbraw/zinc/52/62/16/1317526216.db2.gz KNHXJCMLDHXWFP-UHFFFAOYSA-N 0 0 346.452 3.263 20 10 EGCDRN COC(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000902155207 1317532873 /nfs/dbraw/zinc/53/28/73/1317532873.db2.gz GRUFKOVCFXOJNH-UHFFFAOYSA-N 0 0 344.386 3.061 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000806965958 1317540892 /nfs/dbraw/zinc/54/08/92/1317540892.db2.gz RXMOJRCXHJPUEU-NVXWUHKLSA-N 0 0 346.471 3.216 20 10 EGCDRN CCOc1ccc(CNc2cccn(CC(F)(F)F)c2=O)c(O)c1 ZINC000902238271 1317550152 /nfs/dbraw/zinc/55/01/52/1317550152.db2.gz LWJNMRLUHKWQLA-UHFFFAOYSA-N 0 0 342.317 3.127 20 10 EGCDRN C[C@@H](NC(=O)NCc1nccc(C(F)F)n1)c1ccc(N(C)C)cc1 ZINC000807142039 1317552993 /nfs/dbraw/zinc/55/29/93/1317552993.db2.gz YHBXTERSHJGYEL-LLVKDONJSA-N 0 0 349.385 3.041 20 10 EGCDRN Cc1cc(Br)c(O)c(CNc2c(C)ccn(C)c2=O)c1 ZINC000902258144 1317554300 /nfs/dbraw/zinc/55/43/00/1317554300.db2.gz SNHXDPCKTIULJH-UHFFFAOYSA-N 0 0 337.217 3.082 20 10 EGCDRN Oc1ccc2ccncc2c1CN1CCn2c(cnc2C(F)(F)F)C1 ZINC000902388353 1317571459 /nfs/dbraw/zinc/57/14/59/1317571459.db2.gz ORBRVEMAXDDWAW-UHFFFAOYSA-N 0 0 348.328 3.172 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(CC)CCCC1 ZINC000807912308 1317600986 /nfs/dbraw/zinc/60/09/86/1317600986.db2.gz HQZJPVSPGODIMQ-UHFFFAOYSA-N 0 0 346.471 3.217 20 10 EGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1C(=O)OC(C)C ZINC000808066547 1317619076 /nfs/dbraw/zinc/61/90/76/1317619076.db2.gz QPSFQEDRPVKHTA-UHFFFAOYSA-N 0 0 349.408 3.067 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1c(C)cc(C)cc1C ZINC000808095512 1317623099 /nfs/dbraw/zinc/62/30/99/1317623099.db2.gz HTSXMQAJNQOVHF-UHFFFAOYSA-N 0 0 348.439 3.498 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000808097195 1317623948 /nfs/dbraw/zinc/62/39/48/1317623948.db2.gz UMERRQHYRHSYTJ-UHFFFAOYSA-N 0 0 335.356 3.025 20 10 EGCDRN CCCc1nc2ccccc2c(C(=O)OCC(=O)C(C)=O)c1CC ZINC000808486790 1317686084 /nfs/dbraw/zinc/68/60/84/1317686084.db2.gz JSQQCQPNKKGLTQ-UHFFFAOYSA-N 0 0 327.380 3.065 20 10 EGCDRN Cc1cc(Cl)cc([C@@H](C)Nc2ccc(N(C)CCO)cn2)c1O ZINC000808711483 1317721380 /nfs/dbraw/zinc/72/13/80/1317721380.db2.gz IANBEXRMSIQBKK-GFCCVEGCSA-N 0 0 335.835 3.351 20 10 EGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1ccc(F)cc1[O-] ZINC000808723794 1317723489 /nfs/dbraw/zinc/72/34/89/1317723489.db2.gz RLXYZZHKINHUKP-HNONPPJISA-N 0 0 334.435 3.219 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccnc(C(F)(F)F)c2)cc1 ZINC000809144963 1317774508 /nfs/dbraw/zinc/77/45/08/1317774508.db2.gz KYRNWZSMCPBADU-UHFFFAOYSA-N 0 0 337.345 3.439 20 10 EGCDRN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(Br)c1[O-] ZINC000809703357 1317869122 /nfs/dbraw/zinc/86/91/22/1317869122.db2.gz JJNGGTZFGUETAX-OCCSQVGLSA-N 0 0 339.277 3.213 20 10 EGCDRN CCOc1ccc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)c(O)c1 ZINC000809714835 1317873336 /nfs/dbraw/zinc/87/33/36/1317873336.db2.gz SJXJZYAGRJECMC-UHFFFAOYSA-N 0 0 348.487 3.404 20 10 EGCDRN O=C1CCC(=O)N1c1cc(NCc2c(O)cccc2Cl)ccc1F ZINC000809720902 1317875872 /nfs/dbraw/zinc/87/58/72/1317875872.db2.gz JLHIPELUBGTSHQ-UHFFFAOYSA-N 0 0 348.761 3.450 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](CCCO)Cc1ccccn1 ZINC000809746005 1317886886 /nfs/dbraw/zinc/88/68/86/1317886886.db2.gz JCKVNWMZQBWBBL-UHFFFAOYSA-N 0 0 341.238 3.479 20 10 EGCDRN C[C@H](O)c1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000809775557 1317897131 /nfs/dbraw/zinc/89/71/31/1317897131.db2.gz DNQKHIDLPSSERS-ZETCQYMHSA-N 0 0 333.240 3.499 20 10 EGCDRN C[S@@](=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000809793625 1317903321 /nfs/dbraw/zinc/90/33/21/1317903321.db2.gz ITPZWPRCJZXKQH-OAQYLSRUSA-N 0 0 327.808 3.212 20 10 EGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000810165390 1317966932 /nfs/dbraw/zinc/96/69/32/1317966932.db2.gz QOXOVLKCINGBBN-KBXCAEBGSA-N 0 0 335.806 3.441 20 10 EGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(F)CCCCC1 ZINC000810165230 1317967015 /nfs/dbraw/zinc/96/70/15/1317967015.db2.gz MUNCLNMMZPYWET-UHFFFAOYSA-N 0 0 348.462 3.184 20 10 EGCDRN CCc1nnc(CNCc2cc(C)cc(Br)c2O)s1 ZINC000810176525 1317968790 /nfs/dbraw/zinc/96/87/90/1317968790.db2.gz OKKWJEGFMBAOEL-UHFFFAOYSA-N 0 0 342.262 3.167 20 10 EGCDRN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000810245386 1317985341 /nfs/dbraw/zinc/98/53/41/1317985341.db2.gz AXQWCGCMDHWHPJ-JOKNJTHLSA-N 0 0 333.378 3.487 20 10 EGCDRN COc1cc(F)c(F)cc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000810270772 1317991195 /nfs/dbraw/zinc/99/11/95/1317991195.db2.gz FCJUHVDTPLWUOP-UHFFFAOYSA-N 0 0 335.354 3.361 20 10 EGCDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OC)cc1O ZINC000810316131 1317998326 /nfs/dbraw/zinc/99/83/26/1317998326.db2.gz PZSGOLCJXXUDOZ-UHFFFAOYSA-N 0 0 345.355 3.193 20 10 EGCDRN CCOC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000810687369 1318044094 /nfs/dbraw/zinc/04/40/94/1318044094.db2.gz LVEZSXILHXZIAK-AWEZNQCLSA-N 0 0 340.423 3.420 20 10 EGCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000858341652 1328740716 /nfs/dbraw/zinc/74/07/16/1328740716.db2.gz KABLNZVCJWAPLZ-GJRWTSMGSA-N 0 0 330.472 3.303 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCOc3ccc(F)cc32)c1 ZINC000858377656 1328748640 /nfs/dbraw/zinc/74/86/40/1328748640.db2.gz AFHSZBIVHSLWSE-OAHLLOKOSA-N 0 0 330.359 3.163 20 10 EGCDRN O=C(NCc1cccc(Br)c1O)C1(F)CCCCC1 ZINC000811459208 1318179315 /nfs/dbraw/zinc/17/93/15/1318179315.db2.gz ADCDVCTYBCGIJZ-UHFFFAOYSA-N 0 0 330.197 3.443 20 10 EGCDRN COC(=O)c1cc(CN2CCCCc3cc(OC)ccc32)cn1C ZINC000811508334 1318187038 /nfs/dbraw/zinc/18/70/38/1318187038.db2.gz MHUSPSAUPQQLNK-UHFFFAOYSA-N 0 0 328.412 3.163 20 10 EGCDRN Cc1cc(C(F)(F)F)nn1CN(C)Cc1ccc(N(C)C)cc1 ZINC000811728547 1318239925 /nfs/dbraw/zinc/23/99/25/1318239925.db2.gz DYSGSVYWDQOCJB-UHFFFAOYSA-N 0 0 326.366 3.366 20 10 EGCDRN COC(=O)c1ccc(NCc2c(O)ccc3c2CCCC3)nc1C ZINC000811808410 1318270551 /nfs/dbraw/zinc/27/05/51/1318270551.db2.gz IFQZFYRRFLQIPF-UHFFFAOYSA-N 0 0 326.396 3.373 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)NOC/C=C\Cl)cc1 ZINC000811981122 1318301072 /nfs/dbraw/zinc/30/10/72/1318301072.db2.gz WSBPBPSBKUPFQT-WDZFZDKYSA-N 0 0 325.840 3.358 20 10 EGCDRN CC(C)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1O ZINC000812230859 1318348305 /nfs/dbraw/zinc/34/83/05/1318348305.db2.gz DKTPXOYDDUHBRE-UHFFFAOYSA-N 0 0 339.443 3.282 20 10 EGCDRN CN1CCCc2cc(CNC(=O)[C@@H](O)c3ccc(Cl)cc3)ccc21 ZINC000813430515 1318563192 /nfs/dbraw/zinc/56/31/92/1318563192.db2.gz QANHFLODNPDLLW-SFHVURJKSA-N 0 0 344.842 3.072 20 10 EGCDRN COc1ccc(N2CCN(c3cnc(-c4ccccc4)cn3)CC2)cc1 ZINC000813585838 1318596382 /nfs/dbraw/zinc/59/63/82/1318596382.db2.gz KAGRSSUUVJSTEC-UHFFFAOYSA-N 0 0 346.434 3.479 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)COC)cc1 ZINC000813840003 1318641894 /nfs/dbraw/zinc/64/18/94/1318641894.db2.gz FSRMXFRVAXYIIF-UHFFFAOYSA-N 0 0 335.492 3.347 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2snnc2C)cc1 ZINC000813850120 1318643103 /nfs/dbraw/zinc/64/31/03/1318643103.db2.gz SYFFTIRFPJTKIG-UHFFFAOYSA-N 0 0 347.488 3.034 20 10 EGCDRN CC(C)[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1(CO)CCC1 ZINC000814170651 1318686585 /nfs/dbraw/zinc/68/65/85/1318686585.db2.gz BHXFMDFWQZLRNM-HNNXBMFYSA-N 0 0 342.277 3.432 20 10 EGCDRN CCOC(=O)c1cc(COC)cc(NCc2c(O)cccc2OC)c1 ZINC000814177254 1318690103 /nfs/dbraw/zinc/69/01/03/1318690103.db2.gz YOUKERNYHPTYGE-UHFFFAOYSA-N 0 0 345.395 3.336 20 10 EGCDRN Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1CC(F)(F)F ZINC000910951145 1318698132 /nfs/dbraw/zinc/69/81/32/1318698132.db2.gz COKAXMQRRWTOFX-UHFFFAOYSA-N 0 0 342.317 3.008 20 10 EGCDRN O=C(NCc1ccc(O)cc1O)c1cccc2c3c([nH]c21)CCCC3 ZINC000910951696 1318698563 /nfs/dbraw/zinc/69/85/63/1318698563.db2.gz LTTCCJGAPXIMFP-UHFFFAOYSA-N 0 0 336.391 3.388 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@H](OC)C2)cc1F ZINC000814409329 1318736228 /nfs/dbraw/zinc/73/62/28/1318736228.db2.gz FFSGJCRZGCWBIB-CVEARBPZSA-N 0 0 336.451 3.493 20 10 EGCDRN COc1cc(F)cc(C[C@@H](C)NC(=O)NCc2cc(C)ccc2O)c1 ZINC000858527900 1328788104 /nfs/dbraw/zinc/78/81/04/1328788104.db2.gz MRQCLVPDZSCJJF-CYBMUJFWSA-N 0 0 346.402 3.279 20 10 EGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](CO)c3ccccc32)c1O ZINC000814678300 1318797898 /nfs/dbraw/zinc/79/78/98/1318797898.db2.gz AIHOKXZHJJOQMY-ZDUSSCGKSA-N 0 0 331.799 3.344 20 10 EGCDRN Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](O)c2ccccc2)c(O)c1O ZINC000912108007 1318817921 /nfs/dbraw/zinc/81/79/21/1318817921.db2.gz JUDTVLLQJGJBEL-FUHWJXTLSA-N 0 0 341.407 3.135 20 10 EGCDRN COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815573364 1319018298 /nfs/dbraw/zinc/01/82/98/1319018298.db2.gz HZWCUEONMBJBSH-MNOVXSKESA-N 0 0 346.349 3.292 20 10 EGCDRN Cc1noc(CCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000815591294 1319024432 /nfs/dbraw/zinc/02/44/32/1319024432.db2.gz CICBPGOWIUYBEK-SECBINFHSA-N 0 0 329.322 3.386 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815600481 1319026476 /nfs/dbraw/zinc/02/64/76/1319026476.db2.gz URZPSLHVIQXWNV-MQIPJXDCSA-N 0 0 345.361 3.400 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815600479 1319026527 /nfs/dbraw/zinc/02/65/27/1319026527.db2.gz URZPSLHVIQXWNV-HWWQOWPSSA-N 0 0 345.361 3.400 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)NCCC[C@H]2CC2(Cl)Cl)c1 ZINC000858591737 1328803933 /nfs/dbraw/zinc/80/39/33/1328803933.db2.gz IVHSWIJOJAZQCS-LBPRGKRZSA-N 0 0 331.243 3.474 20 10 EGCDRN Cc1cc(CNC(=O)NCc2ncccn2)c(C)n1-c1cccc(C)c1 ZINC000858619856 1328811916 /nfs/dbraw/zinc/81/19/16/1328811916.db2.gz QIHNBULPTHUQBC-UHFFFAOYSA-N 0 0 349.438 3.192 20 10 EGCDRN Cc1ccc(-n2cnnn2)cc1NCc1ccc2ccccc2c1O ZINC000816525038 1319174687 /nfs/dbraw/zinc/17/46/87/1319174687.db2.gz BONNTKDNXRDIBK-UHFFFAOYSA-N 0 0 331.379 3.442 20 10 EGCDRN COc1ccc(OCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816530511 1319176211 /nfs/dbraw/zinc/17/62/11/1319176211.db2.gz KTWGXZWKTMXAAQ-UHFFFAOYSA-N 0 0 325.767 3.362 20 10 EGCDRN O=C(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CCCc2ccccc21 ZINC000816541841 1319178810 /nfs/dbraw/zinc/17/88/10/1319178810.db2.gz VYHWBZJRWIXCMY-UHFFFAOYSA-N 0 0 348.805 3.254 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)COc2ccccc2F)C2CC2)cc1 ZINC000914437784 1319326611 /nfs/dbraw/zinc/32/66/11/1319326611.db2.gz JXMFUWRRQMLZBF-UHFFFAOYSA-N 0 0 342.414 3.462 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)c2ccc3c(c2)CCO3)C2CC2)cc1 ZINC000914437738 1319326994 /nfs/dbraw/zinc/32/69/94/1319326994.db2.gz KYYYTEJYVSRJFM-UHFFFAOYSA-N 0 0 336.435 3.492 20 10 EGCDRN CCc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nn1C ZINC000817345218 1319332945 /nfs/dbraw/zinc/33/29/45/1319332945.db2.gz CYDDAOSFSIZRDA-UHFFFAOYSA-N 0 0 341.459 3.245 20 10 EGCDRN CN(C)c1ccc(OCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000817380281 1319345751 /nfs/dbraw/zinc/34/57/51/1319345751.db2.gz RPSNHGXIDOMTCI-UHFFFAOYSA-N 0 0 326.440 3.164 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1OC ZINC000858664290 1328823333 /nfs/dbraw/zinc/82/33/33/1328823333.db2.gz HWGMRPQMQSXQSK-UWVGGRQHSA-N 0 0 330.331 3.340 20 10 EGCDRN COc1cc[nH]c(=NNC(=S)Nc2ccc(Cl)cc2Cl)n1 ZINC000914704815 1319366096 /nfs/dbraw/zinc/36/60/96/1319366096.db2.gz VJLNYWAYVSESIS-UHFFFAOYSA-N 0 0 344.227 3.106 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](C)OC[C@@H]3C)c2C)cc1 ZINC000914879986 1319391892 /nfs/dbraw/zinc/39/18/92/1319391892.db2.gz HAVJVKGLJMIBPI-LSDHHAIUSA-N 0 0 342.439 3.352 20 10 EGCDRN Cc1cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000914880275 1319392438 /nfs/dbraw/zinc/39/24/38/1319392438.db2.gz ROQMNRIKTWIBBZ-UONOGXRCSA-N 0 0 330.403 3.483 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)C[C@@H](CO)C2)cc1 ZINC000817628389 1319417201 /nfs/dbraw/zinc/41/72/01/1319417201.db2.gz SQTGWSQQBVSJAQ-RHSMWYFYSA-N 0 0 326.440 3.185 20 10 EGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCNC(=O)CC(C)C)cc12 ZINC000817761325 1319439925 /nfs/dbraw/zinc/43/99/25/1319439925.db2.gz LEEHAROEIDPYOJ-UHFFFAOYSA-N 0 0 330.428 3.253 20 10 EGCDRN COC(=O)N(C)CCCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760500 1319440108 /nfs/dbraw/zinc/44/01/08/1319440108.db2.gz CPFQJEBAWCWYRB-UHFFFAOYSA-N 0 0 332.400 3.179 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)NCCCC2(O)CCC2)C2CC2)cc1 ZINC000817789857 1319443379 /nfs/dbraw/zinc/44/33/79/1319443379.db2.gz SMYWRHXZHQASNT-UHFFFAOYSA-N 0 0 345.487 3.122 20 10 EGCDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817904258 1319456544 /nfs/dbraw/zinc/45/65/44/1319456544.db2.gz AZNRXOSNGKRSEH-CHWSQXEVSA-N 0 0 329.469 3.434 20 10 EGCDRN C[C@H](NC[C@H]1CCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817953300 1319475089 /nfs/dbraw/zinc/47/50/89/1319475089.db2.gz ZLYXMBBFUMCMJT-WCBMZHEXSA-N 0 0 333.657 3.211 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)c1 ZINC000817967475 1319479869 /nfs/dbraw/zinc/47/98/69/1319479869.db2.gz JHKYLCFUYQDKCT-KPZWWZAWSA-N 0 0 340.423 3.489 20 10 EGCDRN COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000818356222 1319534216 /nfs/dbraw/zinc/53/42/16/1319534216.db2.gz LLVKYLRNHGYLDI-VHSXEESVSA-N 0 0 336.413 3.056 20 10 EGCDRN Cc1ccc(OCCNC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000915930274 1319565069 /nfs/dbraw/zinc/56/50/69/1319565069.db2.gz XLMPOGYGROTGRZ-UHFFFAOYSA-N 0 0 328.412 3.229 20 10 EGCDRN CN(C)c1ccc(CNC(=O)CCCn2cnc3ccccc32)cc1 ZINC000916127308 1319606008 /nfs/dbraw/zinc/60/60/08/1319606008.db2.gz MBALJJJSRPNFEL-UHFFFAOYSA-N 0 0 336.439 3.199 20 10 EGCDRN CCC(C)(C)NC(=S)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819021360 1319616164 /nfs/dbraw/zinc/61/61/64/1319616164.db2.gz QYBQYVBGVKWKGA-CQSZACIVSA-N 0 0 335.517 3.174 20 10 EGCDRN C[C@@H]1CCCC[C@@H]1CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167421 1319654556 /nfs/dbraw/zinc/65/45/56/1319654556.db2.gz AFSZZCOVILWPOS-HUUCEWRRSA-N 0 0 330.428 3.373 20 10 EGCDRN CC[C@H](Cc1ccccc1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169187 1319654810 /nfs/dbraw/zinc/65/48/10/1319654810.db2.gz ZGXXSUYCRULKTP-QGZVFWFLSA-N 0 0 338.407 3.178 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)c2cnn(-c3ccccc3)n2)cc1 ZINC000916502181 1319661991 /nfs/dbraw/zinc/66/19/91/1319661991.db2.gz DOFJZUNFTCRRGK-UHFFFAOYSA-N 0 0 349.438 3.044 20 10 EGCDRN COC(=O)COC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000916584260 1319679200 /nfs/dbraw/zinc/67/92/00/1319679200.db2.gz SPXCRSRCZGKBMC-UHFFFAOYSA-N 0 0 341.367 3.498 20 10 EGCDRN Cc1c2ccccc2oc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000916591579 1319679838 /nfs/dbraw/zinc/67/98/38/1319679838.db2.gz WMZXPIMUHJHLBR-UHFFFAOYSA-N 0 0 326.304 3.192 20 10 EGCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@@H]3C)CC2)cc1F ZINC000819368057 1319711110 /nfs/dbraw/zinc/71/11/10/1319711110.db2.gz NPMJPUQWFMQXRV-HOCLYGCPSA-N 0 0 334.435 3.309 20 10 EGCDRN O[C@@H](CNc1ccccc1OCCF)COc1cccc2[nH]ccc21 ZINC000819487800 1319747216 /nfs/dbraw/zinc/74/72/16/1319747216.db2.gz IOXRYNCXKCVNFA-AWEZNQCLSA-N 0 0 344.386 3.368 20 10 EGCDRN CC(C)Cc1noc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000917074036 1319748256 /nfs/dbraw/zinc/74/82/56/1319748256.db2.gz NTAVVLDOGWWLPV-UHFFFAOYSA-N 0 0 328.460 3.499 20 10 EGCDRN CC(=O)Nc1cccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000819501812 1319749099 /nfs/dbraw/zinc/74/90/99/1319749099.db2.gz LZUSAUOLNCLRKH-CQSZACIVSA-N 0 0 339.439 3.131 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(F)c(C)c3)C2)cc1 ZINC000819582069 1319756164 /nfs/dbraw/zinc/75/61/64/1319756164.db2.gz HLESSNMZPRMWJE-OAHLLOKOSA-N 0 0 342.414 3.399 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)c3ccc(C)o3)C2)cc1 ZINC000819584299 1319757292 /nfs/dbraw/zinc/75/72/92/1319757292.db2.gz GLBFASNXXIFOJJ-HZPDHXFCSA-N 0 0 342.439 3.343 20 10 EGCDRN Cc1cc(C(=O)NC2=NC[C@@H](C)S2)c(C)n1-c1ccc(F)cc1 ZINC000819758825 1319781724 /nfs/dbraw/zinc/78/17/24/1319781724.db2.gz AVRBGBAJFWUGBM-LLVKDONJSA-N 0 0 331.416 3.454 20 10 EGCDRN Cc1cc(C(=O)N[C@H]2C[C@H](C)OC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000819837725 1319791652 /nfs/dbraw/zinc/79/16/52/1319791652.db2.gz QMBVPGSMLAMNJL-KSSFIOAISA-N 0 0 340.423 3.145 20 10 EGCDRN COc1ccc(N2CC[C@H](CNc3ncc([N+](=O)[O-])cc3F)C2)cc1 ZINC000819936220 1319807205 /nfs/dbraw/zinc/80/72/05/1319807205.db2.gz XJGNFZKNJZGNLO-GFCCVEGCSA-N 0 0 346.362 3.076 20 10 EGCDRN COc1ccc(N2CC[C@H](CNc3nc(C)ccc3[N+](=O)[O-])C2)cc1 ZINC000819936710 1319807653 /nfs/dbraw/zinc/80/76/53/1319807653.db2.gz VQEFSIGGNVOMBI-CQSZACIVSA-N 0 0 342.399 3.245 20 10 EGCDRN Fc1ccc(NC(=S)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000917597116 1319846659 /nfs/dbraw/zinc/84/66/59/1319846659.db2.gz CTNYWLIFJYFVPX-UHFFFAOYSA-N 0 0 331.416 3.471 20 10 EGCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000917916220 1319888105 /nfs/dbraw/zinc/88/81/05/1319888105.db2.gz BFOYGASVIZKZMQ-UHFFFAOYSA-N 0 0 338.498 3.381 20 10 EGCDRN Cc1csc([C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000821843852 1320035488 /nfs/dbraw/zinc/03/54/88/1320035488.db2.gz VVCKFHUDMZIDSZ-AWEZNQCLSA-N 0 0 329.469 3.472 20 10 EGCDRN CC[C@H](CC(F)(F)F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000822197111 1320061067 /nfs/dbraw/zinc/06/10/67/1320061067.db2.gz LNYIVDXCUVOANA-CYBMUJFWSA-N 0 0 344.377 3.322 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/[C@@H]1CCOC1 ZINC000822269418 1320066695 /nfs/dbraw/zinc/06/66/95/1320066695.db2.gz PPGYHSQBQRCSQP-RUJXFNLJSA-N 0 0 328.456 3.228 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822504558 1320090779 /nfs/dbraw/zinc/09/07/79/1320090779.db2.gz VIVCGTARDIORAI-GFCCVEGCSA-N 0 0 327.215 3.128 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC3(C)CCCC3)C2)cc1 ZINC000823007440 1320146313 /nfs/dbraw/zinc/14/63/13/1320146313.db2.gz YQNIWOLXUOHPOX-MRXNPFEDSA-N 0 0 345.487 3.401 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)C3CCC3)C2)cc1 ZINC000823406571 1320176454 /nfs/dbraw/zinc/17/64/54/1320176454.db2.gz VAMSRIAGBQWECK-CABCVRRESA-N 0 0 331.460 3.009 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)C3CCC3)C2)cc1 ZINC000823406573 1320176787 /nfs/dbraw/zinc/17/67/87/1320176787.db2.gz VAMSRIAGBQWECK-HUUCEWRRSA-N 0 0 331.460 3.009 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)C(F)(F)F ZINC000823694135 1320198326 /nfs/dbraw/zinc/19/83/26/1320198326.db2.gz URZIEEXJLDOCFL-NEPJUHHUSA-N 0 0 331.382 3.242 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](C)C[C@H]3C)C2)cc1 ZINC000823734117 1320201501 /nfs/dbraw/zinc/20/15/01/1320201501.db2.gz VIGNZGOZZAKIFM-BRWVUGGUSA-N 0 0 345.487 3.352 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000823878894 1320213781 /nfs/dbraw/zinc/21/37/81/1320213781.db2.gz BVSLBZHEOLTXJX-RBUKOAKNSA-N 0 0 343.471 3.106 20 10 EGCDRN CC(C)OCCOC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000825207172 1320318333 /nfs/dbraw/zinc/31/83/33/1320318333.db2.gz FSCNPKFJJJOBHF-UHFFFAOYSA-N 0 0 327.852 3.452 20 10 EGCDRN Cc1cccc2c1O[C@H](C(=O)NCc1c(O)ccc3c1CCCC3)C2 ZINC000826136665 1320384736 /nfs/dbraw/zinc/38/47/36/1320384736.db2.gz DUPRKECWNUGNFB-IBGZPJMESA-N 0 0 337.419 3.199 20 10 EGCDRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)ccc(O)c1O ZINC000826763166 1320402483 /nfs/dbraw/zinc/40/24/83/1320402483.db2.gz CUYIDVYOBFGYCL-DTWKUNHWSA-N 0 0 335.297 3.335 20 10 EGCDRN COc1ccc(N2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)cc1F ZINC000826970725 1320417679 /nfs/dbraw/zinc/41/76/79/1320417679.db2.gz REPHAJMMHCRQQT-LJQANCHMSA-N 0 0 332.419 3.229 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCS[C@@H]1C ZINC000826979079 1320418046 /nfs/dbraw/zinc/41/80/46/1320418046.db2.gz GZWKPUJEIKYHMM-VBQJREDUSA-N 0 0 335.517 3.185 20 10 EGCDRN CCC1(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)COC1 ZINC000836288919 1320469522 /nfs/dbraw/zinc/46/95/22/1320469522.db2.gz BSWIIVGGTQQCLC-UHFFFAOYSA-N 0 0 345.487 3.149 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)Cc2cnn(C)c2)cc1 ZINC000836974925 1320560098 /nfs/dbraw/zinc/56/00/98/1320560098.db2.gz NESMVVSVTAINIF-AWEZNQCLSA-N 0 0 336.439 3.189 20 10 EGCDRN COc1cccc([C@H]2C[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000836999645 1320563785 /nfs/dbraw/zinc/56/37/85/1320563785.db2.gz GOXGLPOJWAPDFS-NUXBEOQKSA-N 0 0 339.391 3.182 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2F)cc1 ZINC000837380532 1320606883 /nfs/dbraw/zinc/60/68/83/1320606883.db2.gz QONYKOKHRSEWTE-FUHWJXTLSA-N 0 0 327.403 3.247 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Br)co1 ZINC000837423343 1320615300 /nfs/dbraw/zinc/61/53/00/1320615300.db2.gz FAGOEQWHYFQVFL-UHFFFAOYSA-N 0 0 337.217 3.347 20 10 EGCDRN CCC[C@@H](C)CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837707270 1320671052 /nfs/dbraw/zinc/67/10/52/1320671052.db2.gz JSALRWZHUZTUJN-CYBMUJFWSA-N 0 0 340.414 3.244 20 10 EGCDRN CC(C)[C@]1(CO)CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000838560304 1320791056 /nfs/dbraw/zinc/79/10/56/1320791056.db2.gz UMQUPDDRLCWOHU-OXQOHEQNSA-N 0 0 347.503 3.254 20 10 EGCDRN COC1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000838757219 1320813156 /nfs/dbraw/zinc/81/31/56/1320813156.db2.gz GOHOJQXFYBZVCM-UHFFFAOYSA-N 0 0 332.444 3.028 20 10 EGCDRN Cc1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 ZINC000838945997 1320839507 /nfs/dbraw/zinc/83/95/07/1320839507.db2.gz VTWPZDRCODMFQU-OAHLLOKOSA-N 0 0 335.835 3.096 20 10 EGCDRN CN(CC(=O)NCC(C)(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000859059350 1328915781 /nfs/dbraw/zinc/91/57/81/1328915781.db2.gz DQTDUEVCQPZQNE-UHFFFAOYSA-N 0 0 331.504 3.271 20 10 EGCDRN CCn1ncc(CNCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 ZINC000839071596 1320862390 /nfs/dbraw/zinc/86/23/90/1320862390.db2.gz GIWGHPIKXAEFER-AWEZNQCLSA-N 0 0 347.894 3.478 20 10 EGCDRN CC[C@](COC)(NCc1ccc(N2CCCCC2)c(C)c1)C(=O)OC ZINC000839111675 1320872660 /nfs/dbraw/zinc/87/26/60/1320872660.db2.gz FEOSFEROMNJKHE-HXUWFJFHSA-N 0 0 348.487 3.043 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000839340455 1320906505 /nfs/dbraw/zinc/90/65/05/1320906505.db2.gz ZWIYDTVVDGXTKL-HZPDHXFCSA-N 0 0 346.471 3.025 20 10 EGCDRN COc1ccc(N(Cc2ccc(S(C)(=O)=O)o2)CC(C)C)cc1 ZINC000839515386 1320931808 /nfs/dbraw/zinc/93/18/08/1320931808.db2.gz RXPBJSRZEIXRQZ-UHFFFAOYSA-N 0 0 337.441 3.354 20 10 EGCDRN Cc1nc(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cs1 ZINC000839913943 1320994828 /nfs/dbraw/zinc/99/48/28/1320994828.db2.gz OXGZNQUIJAKVDQ-CYBMUJFWSA-N 0 0 331.485 3.116 20 10 EGCDRN COCc1nc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cs1 ZINC000839917175 1320995663 /nfs/dbraw/zinc/99/56/63/1320995663.db2.gz BKEUIKKEUVZDBA-ZDUSSCGKSA-N 0 0 347.484 3.025 20 10 EGCDRN Cc1nc(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)s1 ZINC000839918830 1320995948 /nfs/dbraw/zinc/99/59/48/1320995948.db2.gz DCFDXPCPGJLEEX-ZDUSSCGKSA-N 0 0 345.512 3.424 20 10 EGCDRN COc1csc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000839920109 1320996195 /nfs/dbraw/zinc/99/61/95/1320996195.db2.gz KYPYJSJZSNACOD-ZDUSSCGKSA-N 0 0 332.469 3.492 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccncc1Cl ZINC000839920028 1320996296 /nfs/dbraw/zinc/99/62/96/1320996296.db2.gz ZUHPAKMJPWUXDQ-CYBMUJFWSA-N 0 0 331.847 3.470 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1=C(C)OCCS1 ZINC000839920486 1320996497 /nfs/dbraw/zinc/99/64/97/1320996497.db2.gz ARVDFZYIZFQVDN-CYBMUJFWSA-N 0 0 334.485 3.103 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC000839922714 1320997149 /nfs/dbraw/zinc/99/71/49/1320997149.db2.gz WTAUIBRYDBOEAE-JKSUJKDBSA-N 0 0 342.487 3.036 20 10 EGCDRN Oc1cc2c(cc1CN1CCc3cccc(Cl)c3C1)[C@@H](O)CO2 ZINC000840158660 1321041797 /nfs/dbraw/zinc/04/17/97/1321041797.db2.gz SEWYRKIZJKEVOZ-KRWDZBQOSA-N 0 0 331.799 3.030 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCc1ccco1 ZINC000840240692 1321057294 /nfs/dbraw/zinc/05/72/94/1321057294.db2.gz DJJDIDKLDNSMDJ-HNNXBMFYSA-N 0 0 329.444 3.127 20 10 EGCDRN C[C@H](C(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000840256380 1321060614 /nfs/dbraw/zinc/06/06/14/1321060614.db2.gz TYZDAMDKAIAJCX-AWEZNQCLSA-N 0 0 346.471 3.221 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000840262027 1321061429 /nfs/dbraw/zinc/06/14/29/1321061429.db2.gz BUQVLWUXAJOHMH-UXLLHSPISA-N 0 0 333.476 3.146 20 10 EGCDRN Oc1c(Br)cccc1CNc1ncc2c(n1)CCCC2 ZINC000840295571 1321068026 /nfs/dbraw/zinc/06/80/26/1321068026.db2.gz YFGDTGNNRYRFNE-UHFFFAOYSA-N 0 0 334.217 3.436 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000840328265 1321073720 /nfs/dbraw/zinc/07/37/20/1321073720.db2.gz ZTIGQXVPZIUWSH-ULQDDVLXSA-N 0 0 347.503 3.106 20 10 EGCDRN Cc1noc2ncnc(N[C@H](C)Cc3ccc(N(C)C)cc3C)c12 ZINC000840385450 1321083163 /nfs/dbraw/zinc/08/31/63/1321083163.db2.gz WTPWQOPPUPHQRQ-GFCCVEGCSA-N 0 0 325.416 3.344 20 10 EGCDRN COCC[C@H](C)CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000840398713 1321085740 /nfs/dbraw/zinc/08/57/40/1321085740.db2.gz GENFMMVMLPRAIK-HNNXBMFYSA-N 0 0 346.427 3.370 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCOC(C)(C)C1 ZINC000840480834 1321097777 /nfs/dbraw/zinc/09/77/77/1321097777.db2.gz YUZOIGVHSOOKMF-INIZCTEOSA-N 0 0 347.503 3.203 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CCCOC(C)C ZINC000840480326 1321097781 /nfs/dbraw/zinc/09/77/81/1321097781.db2.gz VMRMCTRXESNWRW-QGZVFWFLSA-N 0 0 349.519 3.449 20 10 EGCDRN CCN(C[C@H]1CCOC1)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840487130 1321098711 /nfs/dbraw/zinc/09/87/11/1321098711.db2.gz GAZGPBNLFGOEBO-IAGOWNOFSA-N 0 0 347.503 3.060 20 10 EGCDRN CC[C@H](NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(F)F ZINC000840485930 1321098818 /nfs/dbraw/zinc/09/88/18/1321098818.db2.gz WUDKJAHWYKZUOS-WFASDCNBSA-N 0 0 327.419 3.335 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)Cc1cscn1 ZINC000840486574 1321098871 /nfs/dbraw/zinc/09/88/71/1321098871.db2.gz CSGTWQQJHDCWRG-AWEZNQCLSA-N 0 0 346.500 3.290 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ncc(F)cc1F ZINC000840555961 1321107800 /nfs/dbraw/zinc/10/78/00/1321107800.db2.gz SWWZIWFPVXIDPZ-LBPRGKRZSA-N 0 0 333.382 3.095 20 10 EGCDRN CC1(NC(=S)NCc2cccc(Br)c2O)CCC1 ZINC000840745838 1321139782 /nfs/dbraw/zinc/13/97/82/1321139782.db2.gz PJEYGQTYXJMMDG-UHFFFAOYSA-N 0 0 329.263 3.061 20 10 EGCDRN O=C1N[C@H](c2ccc(N3CCCCC3)cc2)N2CCc3ccccc3[C@H]12 ZINC000840824286 1321157429 /nfs/dbraw/zinc/15/74/29/1321157429.db2.gz VVNSMDDVLMNGLM-RTWAWAEBSA-N 0 0 347.462 3.405 20 10 EGCDRN COc1cccnc1CNC(=S)Nc1ccc(OC(C)C)cc1 ZINC000840826376 1321157728 /nfs/dbraw/zinc/15/77/28/1321157728.db2.gz VUYHWPDLBHMLAS-UHFFFAOYSA-N 0 0 331.441 3.364 20 10 EGCDRN CCn1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000840839887 1321160771 /nfs/dbraw/zinc/16/07/71/1321160771.db2.gz APNSDSUUTZWOEC-SECBINFHSA-N 0 0 342.212 3.361 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NC[C@H]1CCCCO1 ZINC000840869605 1321166225 /nfs/dbraw/zinc/16/62/25/1321166225.db2.gz OCNDBOZATJSEMK-MAUKXSAKSA-N 0 0 349.544 3.025 20 10 EGCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000840881931 1321169428 /nfs/dbraw/zinc/16/94/28/1321169428.db2.gz QKSYUZMUQOHHLU-JQWIXIFHSA-N 0 0 325.330 3.236 20 10 EGCDRN [O-]c1c(Br)cccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840953350 1321185573 /nfs/dbraw/zinc/18/55/73/1321185573.db2.gz LGCNYWZOFJEBID-UHFFFAOYSA-N 0 0 348.244 3.324 20 10 EGCDRN Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000841022572 1321202442 /nfs/dbraw/zinc/20/24/42/1321202442.db2.gz PKWXKHMSYHBSCS-AWEZNQCLSA-N 0 0 325.412 3.044 20 10 EGCDRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841057569 1321211330 /nfs/dbraw/zinc/21/13/30/1321211330.db2.gz AACUYXYMXVSNGP-CQSZACIVSA-N 0 0 339.439 3.080 20 10 EGCDRN COC(=O)c1c(C)c(C)sc1NC(=O)NCCc1ccc(N)cc1 ZINC000841097942 1321217333 /nfs/dbraw/zinc/21/73/33/1321217333.db2.gz RGYXOVXQJFIGKE-UHFFFAOYSA-N 0 0 347.440 3.098 20 10 EGCDRN Cc1ccc(CN(C(=O)C(=O)Nc2ccc(N)cc2)C(C)C)s1 ZINC000841101884 1321218801 /nfs/dbraw/zinc/21/88/01/1321218801.db2.gz TUXDSILVNKGOHJ-UHFFFAOYSA-N 0 0 331.441 3.014 20 10 EGCDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccc(N)cc2)o1 ZINC000841113720 1321220652 /nfs/dbraw/zinc/22/06/52/1321220652.db2.gz VNEVWJUKMPUXLG-LRDDRELGSA-N 0 0 341.411 3.109 20 10 EGCDRN CCCn1ncc(NC(=O)NCCc2ccc(N)cc2)c1C1CC1 ZINC000841256364 1321240093 /nfs/dbraw/zinc/24/00/93/1321240093.db2.gz VZBXURFKKCKYPA-UHFFFAOYSA-N 0 0 327.432 3.117 20 10 EGCDRN Nc1ccc(NC(=O)N2CCC(CCCn3ccnc3)CC2)cc1 ZINC000841295893 1321247425 /nfs/dbraw/zinc/24/74/25/1321247425.db2.gz IPFQMDZEYCODAQ-UHFFFAOYSA-N 0 0 327.432 3.190 20 10 EGCDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841295903 1321247501 /nfs/dbraw/zinc/24/75/01/1321247501.db2.gz JCJKQEQTDNOSPU-IBGZPJMESA-N 0 0 327.428 3.464 20 10 EGCDRN Nc1ccc(NC(=O)N[C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000841297818 1321249280 /nfs/dbraw/zinc/24/92/80/1321249280.db2.gz IKPRUXVPTWRLHB-OAHLLOKOSA-N 0 0 331.441 3.356 20 10 EGCDRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841301235 1321249631 /nfs/dbraw/zinc/24/96/31/1321249631.db2.gz GTSXDDVBRCUQLC-OAHLLOKOSA-N 0 0 346.475 3.209 20 10 EGCDRN Cc1nc(C2(NC(=O)Nc3ccc(N)cc3)CCCCCC2)no1 ZINC000841300110 1321250051 /nfs/dbraw/zinc/25/00/51/1321250051.db2.gz NQFMFDWMSPREGJ-UHFFFAOYSA-N 0 0 329.404 3.331 20 10 EGCDRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841300337 1321250210 /nfs/dbraw/zinc/25/02/10/1321250210.db2.gz VDZFBZBXPKLLLY-CYBMUJFWSA-N 0 0 328.391 3.151 20 10 EGCDRN Nc1ccc(F)c(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000841307761 1321252551 /nfs/dbraw/zinc/25/25/51/1321252551.db2.gz ZRMYNUBRVRLDPI-UHFFFAOYSA-N 0 0 329.375 3.314 20 10 EGCDRN COc1cc2c(c(OC)c1)N(C(=O)/C=C\c1cncc(C)c1)CCC2 ZINC000841333928 1321259060 /nfs/dbraw/zinc/25/90/60/1321259060.db2.gz VBNKJQRFFUZBLE-SREVYHEPSA-N 0 0 338.407 3.400 20 10 EGCDRN Cc1noc(C)c1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841606062 1321288345 /nfs/dbraw/zinc/28/83/45/1321288345.db2.gz XKFPVAMUZOZFGV-GFCCVEGCSA-N 0 0 330.432 3.419 20 10 EGCDRN CCCn1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000841658364 1321293496 /nfs/dbraw/zinc/29/34/96/1321293496.db2.gz XZSMYXURJJCORY-HNNXBMFYSA-N 0 0 343.475 3.420 20 10 EGCDRN CC[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccccc1OC ZINC000841698760 1321299096 /nfs/dbraw/zinc/29/90/96/1321299096.db2.gz PEBCEZQAMZLOLC-KRWDZBQOSA-N 0 0 327.428 3.270 20 10 EGCDRN CN(CCCCNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841727465 1321303615 /nfs/dbraw/zinc/30/36/15/1321303615.db2.gz RMNPORGWJVGSEJ-UHFFFAOYSA-N 0 0 340.471 3.027 20 10 EGCDRN C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1[O-] ZINC000841764605 1321308666 /nfs/dbraw/zinc/30/86/66/1321308666.db2.gz QSEITBXPGBMDCQ-BBRMVZONSA-N 0 0 338.879 3.340 20 10 EGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](COC(C)(C)C)C(=O)[O-])cc1F ZINC000841807045 1321316062 /nfs/dbraw/zinc/31/60/62/1321316062.db2.gz GSVWNFUBRFWFDO-HNNXBMFYSA-N 0 0 340.439 3.030 20 10 EGCDRN Nc1ccc(CCNC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000841853401 1321323434 /nfs/dbraw/zinc/32/34/34/1321323434.db2.gz AGDJNGYXIFKCQI-ZIAGYGMSSA-N 0 0 343.393 3.479 20 10 EGCDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841868626 1321325304 /nfs/dbraw/zinc/32/53/04/1321325304.db2.gz HISVEHXBSPEFOV-UGSOOPFHSA-N 0 0 345.418 3.026 20 10 EGCDRN CCCOc1ccc(CNC(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000841886086 1321326662 /nfs/dbraw/zinc/32/66/62/1321326662.db2.gz IWJNBWLSWZFJKY-UHFFFAOYSA-N 0 0 341.455 3.408 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000841962007 1321332830 /nfs/dbraw/zinc/33/28/30/1321332830.db2.gz KJSOSDFPKCJFCG-UHFFFAOYSA-N 0 0 337.467 3.476 20 10 EGCDRN COc1ccccc1CN(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841962954 1321333116 /nfs/dbraw/zinc/33/31/16/1321333116.db2.gz UVTHFHMNOPCABH-UHFFFAOYSA-N 0 0 339.439 3.194 20 10 EGCDRN CCCCC[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000842098030 1321347060 /nfs/dbraw/zinc/34/70/60/1321347060.db2.gz PIGSXNJYZYJXTF-KRWDZBQOSA-N 0 0 347.503 3.039 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)[C@@H]2C[C@H](C)CCN2C1=O ZINC000842264908 1321366941 /nfs/dbraw/zinc/36/69/41/1321366941.db2.gz OEDIZVODLLDBPB-XUWXXGDYSA-N 0 0 343.471 3.055 20 10 EGCDRN Cc1cc(OCC(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)no1 ZINC000843018961 1321457054 /nfs/dbraw/zinc/45/70/54/1321457054.db2.gz IGKBFJCGKOQBSM-UHFFFAOYSA-N 0 0 340.379 3.338 20 10 EGCDRN Cn1c2ccc(OC(=O)c3ccc4nncn4c3)cc2c2c1CCCC2 ZINC000843022182 1321458103 /nfs/dbraw/zinc/45/81/03/1321458103.db2.gz YLDXNAGMBUPIPN-UHFFFAOYSA-N 0 0 346.390 3.319 20 10 EGCDRN CN(c1ccc(CNC(=O)[C@@H]2CCC(=O)C2)cc1)C1CCCCC1 ZINC000843776872 1321546787 /nfs/dbraw/zinc/54/67/87/1321546787.db2.gz ZBRPRJUVZMDCFE-MRXNPFEDSA-N 0 0 328.456 3.441 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCc3ccccc32)c1 ZINC000843831117 1321551392 /nfs/dbraw/zinc/55/13/92/1321551392.db2.gz MEOBYADMHZKQSN-RNODOKPDSA-N 0 0 325.408 3.482 20 10 EGCDRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccccc2O)CC1 ZINC000843831501 1321551644 /nfs/dbraw/zinc/55/16/44/1321551644.db2.gz HAPFETUQBRVQKD-AWEZNQCLSA-N 0 0 348.443 3.046 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000843851846 1321552943 /nfs/dbraw/zinc/55/29/43/1321552943.db2.gz REUMPQWODICIIC-LBPRGKRZSA-N 0 0 341.407 3.172 20 10 EGCDRN CC[C@H](C)C[C@H](CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000844029919 1321566957 /nfs/dbraw/zinc/56/69/57/1321566957.db2.gz ATVQTMVIEPGSIC-XJKSGUPXSA-N 0 0 329.444 3.016 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)NCc2cccs2)cc1 ZINC000844281156 1321584780 /nfs/dbraw/zinc/58/47/80/1321584780.db2.gz MLTVLNIIEXMMAY-UHFFFAOYSA-N 0 0 333.457 3.035 20 10 EGCDRN COc1ccc(N(C)Cc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000844353479 1321592948 /nfs/dbraw/zinc/59/29/48/1321592948.db2.gz PHLFEWQMCQFNSJ-UHFFFAOYSA-N 0 0 331.441 3.303 20 10 EGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000844353661 1321592977 /nfs/dbraw/zinc/59/29/77/1321592977.db2.gz UHANDOCQCFJTIO-CQSZACIVSA-N 0 0 330.403 3.490 20 10 EGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCc3ccccc3C2)cc1F ZINC000844357771 1321593769 /nfs/dbraw/zinc/59/37/69/1321593769.db2.gz QAHUUTSOJUDTGU-KRWDZBQOSA-N 0 0 326.415 3.313 20 10 EGCDRN COc1ccc(N(C)CCN(C)[C@H](C)c2nc(C(C)C)no2)cc1 ZINC000844398808 1321599861 /nfs/dbraw/zinc/59/98/61/1321599861.db2.gz CVVLDLJBKXVCAV-CQSZACIVSA-N 0 0 332.448 3.331 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)CC3(CSC)CC3)C2)cc1 ZINC000844601706 1321624898 /nfs/dbraw/zinc/62/48/98/1321624898.db2.gz HRIWGDVQZUFJEV-OAHLLOKOSA-N 0 0 348.512 3.171 20 10 EGCDRN O=S(=O)(CCC1Cc2ccccc2C1)Nc1ccc(O)cc1F ZINC000844659312 1321631564 /nfs/dbraw/zinc/63/15/64/1321631564.db2.gz CPSWFGSJIHXFEU-UHFFFAOYSA-N 0 0 335.400 3.078 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc(C(C)C)n2)cc1 ZINC000844855423 1321651047 /nfs/dbraw/zinc/65/10/47/1321651047.db2.gz VWCPPNFTUIMSBU-UHFFFAOYSA-N 0 0 341.455 3.422 20 10 EGCDRN CC(C)O[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000845123281 1321677337 /nfs/dbraw/zinc/67/73/37/1321677337.db2.gz APCKYQFYUBNIGB-YJBOKZPZSA-N 0 0 333.476 3.413 20 10 EGCDRN COc1ccc2c(c1)c1c(n2CC(=O)OC[C@@H]2CCOC2)CCCC1 ZINC000845298761 1321696640 /nfs/dbraw/zinc/69/66/40/1321696640.db2.gz OMYNHKLHFVEXEK-CQSZACIVSA-N 0 0 343.423 3.108 20 10 EGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)COCC2CC2)c1 ZINC000846073729 1321766596 /nfs/dbraw/zinc/76/65/96/1321766596.db2.gz QJGTYKNPKSOUFY-NSHDSACASA-N 0 0 328.250 3.368 20 10 EGCDRN CN(CC[NH+]1CCCCC1)Cc1cccc(Br)c1[O-] ZINC000846114126 1321768896 /nfs/dbraw/zinc/76/88/96/1321768896.db2.gz IBFLFWUHYZSJGJ-UHFFFAOYSA-N 0 0 327.266 3.072 20 10 EGCDRN C[C@H](COCC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000846477214 1321788039 /nfs/dbraw/zinc/78/80/39/1321788039.db2.gz QWISHKSSBYGSFA-CYBMUJFWSA-N 0 0 333.815 3.482 20 10 EGCDRN COc1cc(CCC(=O)NCc2cc(Cl)ccc2O)cc(OC)c1 ZINC000846479888 1321788761 /nfs/dbraw/zinc/78/87/61/1321788761.db2.gz PHMSETUNFBVWKJ-UHFFFAOYSA-N 0 0 349.814 3.312 20 10 EGCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)CCC2 ZINC000846783651 1321808373 /nfs/dbraw/zinc/80/83/73/1321808373.db2.gz BRKOUYHSQWNVHS-IBGZPJMESA-N 0 0 338.451 3.498 20 10 EGCDRN CC(C)(C)n1nnc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000846803640 1321810906 /nfs/dbraw/zinc/81/09/06/1321810906.db2.gz FAGCTIVORCUMTR-UHFFFAOYSA-N 0 0 329.448 3.079 20 10 EGCDRN Cc1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)CC3)c(C)c(C)c1O ZINC000848451346 1321961044 /nfs/dbraw/zinc/96/10/44/1321961044.db2.gz GWJULOTZZFASIW-UHFFFAOYSA-N 0 0 345.420 3.247 20 10 EGCDRN C[C@H](C[NH2+]Cc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000848566523 1321977704 /nfs/dbraw/zinc/97/77/04/1321977704.db2.gz ZRNWILQMKIUWQT-SNVBAGLBSA-N 0 0 344.249 3.222 20 10 EGCDRN CCc1cccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000848881125 1322027156 /nfs/dbraw/zinc/02/71/56/1322027156.db2.gz MSDXLZFECMXNGT-UHFFFAOYSA-N 0 0 342.414 3.052 20 10 EGCDRN Cc1noc(CN(C)Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000848928373 1322047003 /nfs/dbraw/zinc/04/70/03/1322047003.db2.gz ZRHBBSGZZFTNHI-UHFFFAOYSA-N 0 0 328.338 3.095 20 10 EGCDRN Cc1ccc(CNC(=[NH2+])NCc2cccc(Br)c2[O-])cc1 ZINC000849105421 1322080010 /nfs/dbraw/zinc/08/00/10/1322080010.db2.gz MEABMWVGXQTNEW-UHFFFAOYSA-N 0 0 348.244 3.277 20 10 EGCDRN O=C1/C(=C/c2ccnn2CC2CC2)SC(=S)N1c1cccnc1 ZINC000849176703 1322094540 /nfs/dbraw/zinc/09/45/40/1322094540.db2.gz UHFFBXOGODKELN-ZSOIEALJSA-N 0 0 342.449 3.094 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)NCc3ccoc3C)CC2)cc1 ZINC000919781970 1322106111 /nfs/dbraw/zinc/10/61/11/1322106111.db2.gz CZHTWYIJYKNLIT-UHFFFAOYSA-N 0 0 343.427 3.019 20 10 EGCDRN O[C@H](COc1ccccc1)CN1CCCc2cc(OC(F)F)ccc21 ZINC000919802936 1322107921 /nfs/dbraw/zinc/10/79/21/1322107921.db2.gz KUQXRQRJVRFVMQ-HNNXBMFYSA-N 0 0 349.377 3.481 20 10 EGCDRN COC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000919981713 1322124669 /nfs/dbraw/zinc/12/46/69/1322124669.db2.gz QTIAVALKEVWRQS-UHFFFAOYSA-N 0 0 348.830 3.429 20 10 EGCDRN CS(=O)(=O)c1cccc(OCCSc2ncc(Cl)s2)c1 ZINC000850000537 1322178782 /nfs/dbraw/zinc/17/87/82/1322178782.db2.gz YMJIEWFEQDJRSR-UHFFFAOYSA-N 0 0 349.886 3.371 20 10 EGCDRN OC1CCN(c2ccc(CNCc3c(F)cccc3F)cc2)CC1 ZINC000850405588 1322240917 /nfs/dbraw/zinc/24/09/17/1322240917.db2.gz VXXXWICASGPGJC-UHFFFAOYSA-N 0 0 332.394 3.216 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000850538628 1322263380 /nfs/dbraw/zinc/26/33/80/1322263380.db2.gz JDLQXSXFZNGMQX-GOEBONIOSA-N 0 0 346.471 3.236 20 10 EGCDRN Nc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)cc1 ZINC000859593708 1329029404 /nfs/dbraw/zinc/02/94/04/1329029404.db2.gz JAWCABDHEKLLAN-GOSISDBHSA-N 0 0 343.858 3.203 20 10 EGCDRN C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851914747 1323113125 /nfs/dbraw/zinc/11/31/25/1323113125.db2.gz AMJCQIGZXZLFSJ-HNAYVOBHSA-N 0 0 345.487 3.026 20 10 EGCDRN C[C@H](NC(=O)NCCC(C)(C)F)c1ccc(N2CCOCC2)cc1 ZINC000852012526 1323132523 /nfs/dbraw/zinc/13/25/23/1323132523.db2.gz LALVDVPHXMFOIX-AWEZNQCLSA-N 0 0 337.439 3.022 20 10 EGCDRN CC1(C)CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852234889 1323170208 /nfs/dbraw/zinc/17/02/08/1323170208.db2.gz IHLRUXPBRMXWCL-INIZCTEOSA-N 0 0 345.487 3.026 20 10 EGCDRN CCCOc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1OC ZINC000859766935 1329073751 /nfs/dbraw/zinc/07/37/51/1329073751.db2.gz NXOXQXGFVOBTGU-UHFFFAOYSA-N 0 0 343.427 3.430 20 10 EGCDRN CO[C@H](CNC(=O)NCc1ccc(N(C)C)cc1C)C1CCCC1 ZINC000852655912 1323221699 /nfs/dbraw/zinc/22/16/99/1323221699.db2.gz FKCISKJEYCWYRY-GOSISDBHSA-N 0 0 333.476 3.065 20 10 EGCDRN Cc1ccccc1C[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000859785805 1329076955 /nfs/dbraw/zinc/07/69/55/1329076955.db2.gz URRCKWLDPCZXTF-ZDUSSCGKSA-N 0 0 328.364 3.011 20 10 EGCDRN CCN(CC(C)(C)O)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000859823933 1329087787 /nfs/dbraw/zinc/08/77/87/1329087787.db2.gz XLSURHIPFCCUMI-UHFFFAOYSA-N 0 0 342.439 3.140 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC(C)(C)CCO ZINC000860106323 1329148193 /nfs/dbraw/zinc/14/81/93/1329148193.db2.gz FEDBDOZOMGZLIQ-UHFFFAOYSA-N 0 0 342.439 3.045 20 10 EGCDRN COc1cc(NC(=O)NCc2cc(C)ccc2O)cc(OC)c1OC ZINC000860231808 1329179916 /nfs/dbraw/zinc/17/99/16/1329179916.db2.gz PIWWTDSYRCETIS-UHFFFAOYSA-N 0 0 346.383 3.048 20 10 EGCDRN CC(C)(C)c1nnc2n1CCN(Cc1cc3c(cc1O)CCCC3)C2 ZINC000853617280 1325134325 /nfs/dbraw/zinc/13/43/25/1325134325.db2.gz TWBXJTBHNXOKIT-UHFFFAOYSA-N 0 0 340.471 3.176 20 10 EGCDRN CCOc1ccc(-n2c(C)cc(C(=O)Cn3cnc(C)n3)c2C)cc1 ZINC000853718352 1325151801 /nfs/dbraw/zinc/15/18/01/1325151801.db2.gz GUNLOCUTOXAMJN-UHFFFAOYSA-N 0 0 338.411 3.276 20 10 EGCDRN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853955646 1325191515 /nfs/dbraw/zinc/19/15/15/1325191515.db2.gz HBOYKWCSGGTZCL-UHFFFAOYSA-N 0 0 341.411 3.476 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2ccccn2)C2CC2)c1 ZINC000925548121 1325202216 /nfs/dbraw/zinc/20/22/16/1325202216.db2.gz RFUGXDAUPHUIKF-SGTLLEGYSA-N 0 0 341.411 3.307 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000854187985 1325225376 /nfs/dbraw/zinc/22/53/76/1325225376.db2.gz TXVURPKBDKHSEA-GJYPPUQNSA-N 0 0 343.471 3.106 20 10 EGCDRN C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854513537 1325270219 /nfs/dbraw/zinc/27/02/19/1325270219.db2.gz MVQICLKYMMAHTB-UONOGXRCSA-N 0 0 348.406 3.340 20 10 EGCDRN CCCCC[C@H](O)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854513781 1325270382 /nfs/dbraw/zinc/27/03/82/1325270382.db2.gz OIMNRFRETACOBP-HNNXBMFYSA-N 0 0 338.411 3.276 20 10 EGCDRN CCCn1nccc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000854948254 1325326870 /nfs/dbraw/zinc/32/68/70/1325326870.db2.gz MRNDPGZZUZSORJ-OAHLLOKOSA-N 0 0 328.460 3.029 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](C)C2(CO)CC2)c(C)n1-c1ccccc1C ZINC000855479781 1325387531 /nfs/dbraw/zinc/38/75/31/1325387531.db2.gz WBVQDNONSCRSCQ-INIZCTEOSA-N 0 0 326.440 3.293 20 10 EGCDRN CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)C1=CC(=O)CS1 ZINC000856142640 1325454140 /nfs/dbraw/zinc/45/41/40/1325454140.db2.gz TXVFDEFLUQGIGR-UHFFFAOYSA-N 0 0 327.446 3.284 20 10 EGCDRN CO[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CCCC1 ZINC000856156913 1325456630 /nfs/dbraw/zinc/45/66/30/1325456630.db2.gz LIVKGCMJPNMIDW-GOSISDBHSA-N 0 0 341.455 3.424 20 10 EGCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1Cl ZINC000856209086 1325464069 /nfs/dbraw/zinc/46/40/69/1325464069.db2.gz GXJWWEGJJGOQIU-UHFFFAOYSA-N 0 0 344.842 3.231 20 10 EGCDRN COc1cccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3)CCC2)c1 ZINC000856206879 1325464134 /nfs/dbraw/zinc/46/41/34/1325464134.db2.gz MJVJBZRSLPXCHT-VQHVLOKHSA-N 0 0 339.391 3.315 20 10 EGCDRN C[C@H](CC1CCCC1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211089 1325465074 /nfs/dbraw/zinc/46/50/74/1325465074.db2.gz DXZRDONIFIUFPM-MRXNPFEDSA-N 0 0 344.499 3.480 20 10 EGCDRN CCCC[C@H](CC)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209852 1325465091 /nfs/dbraw/zinc/46/50/91/1325465091.db2.gz FBPCBWWBDUMMMJ-KRWDZBQOSA-N 0 0 332.488 3.480 20 10 EGCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc2cc[nH]c2c1 ZINC000856210042 1325465664 /nfs/dbraw/zinc/46/56/64/1325465664.db2.gz MUFIDXRBVOGYKK-UHFFFAOYSA-N 0 0 349.434 3.059 20 10 EGCDRN C/C=C(/C=C\C(=O)NCc1ccc(N2CCC(O)CC2)cc1)CC ZINC000856212315 1325465707 /nfs/dbraw/zinc/46/57/07/1325465707.db2.gz KLYZGIDEOAOFCV-ZBHHPVROSA-N 0 0 328.456 3.176 20 10 EGCDRN CC1(C)CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213542 1325466708 /nfs/dbraw/zinc/46/67/08/1325466708.db2.gz PPKIIIAYVVUUKN-LJQANCHMSA-N 0 0 344.499 3.480 20 10 EGCDRN Cc1cc(C(=O)N[C@H](C)c2nccn2C)c(C)n1-c1ccc(F)cc1 ZINC000856276463 1325471564 /nfs/dbraw/zinc/47/15/64/1325471564.db2.gz NWESIPCVCCYRBA-CYBMUJFWSA-N 0 0 340.402 3.458 20 10 EGCDRN COc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)sn1 ZINC000856746646 1325518270 /nfs/dbraw/zinc/51/82/70/1325518270.db2.gz SXTLAIUNICPWCU-UHFFFAOYSA-N 0 0 345.468 3.414 20 10 EGCDRN Cc1ccccc1COCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000856940103 1325545455 /nfs/dbraw/zinc/54/54/55/1325545455.db2.gz RSMDCJDAZVVRBM-UHFFFAOYSA-N 0 0 338.451 3.428 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(OC)ccc2F)c1 ZINC000857080475 1325570715 /nfs/dbraw/zinc/57/07/15/1325570715.db2.gz HAHOSSLICSRPBJ-NSHDSACASA-N 0 0 333.359 3.177 20 10 EGCDRN CS[C@H](C)CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000860358168 1329308300 /nfs/dbraw/zinc/30/83/00/1329308300.db2.gz UIYQEGBEZZDUCN-CQSZACIVSA-N 0 0 344.480 3.317 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(N3CCCC3)nc2)c1 ZINC000860444616 1329318368 /nfs/dbraw/zinc/31/83/68/1329318368.db2.gz JKKLIRBTOKMHES-UHFFFAOYSA-N 0 0 326.400 3.018 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCCOCC1 ZINC000860623087 1329337399 /nfs/dbraw/zinc/33/73/99/1329337399.db2.gz FKMJQGFIUFINNG-QGZVFWFLSA-N 0 0 340.423 3.206 20 10 EGCDRN CCN(C)C(=O)c1cccc(NC(=O)NCc2cc(C)ccc2O)c1 ZINC000861114097 1329389226 /nfs/dbraw/zinc/38/92/26/1329389226.db2.gz YXICAIKRBMWJFR-UHFFFAOYSA-N 0 0 341.411 3.114 20 10 EGCDRN Cc1ccc(C(=O)Nc2ccc(N(C)C(=O)C3CC3)cc2)c(O)c1O ZINC000928479919 1328334437 /nfs/dbraw/zinc/33/44/37/1328334437.db2.gz VWQTWJJXYHYDQO-UHFFFAOYSA-N 0 0 340.379 3.031 20 10 EGCDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)c1cc(C)ccc1C ZINC000861530485 1329424484 /nfs/dbraw/zinc/42/44/84/1329424484.db2.gz ZNOHBJKGGUAHFD-QGZVFWFLSA-N 0 0 325.412 3.092 20 10 EGCDRN CO[C@@H](CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C1CC1 ZINC000861836932 1329444697 /nfs/dbraw/zinc/44/46/97/1329444697.db2.gz NZFNDWSTGSWODI-IBGZPJMESA-N 0 0 340.423 3.061 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)CC(C)(C)O ZINC000861881604 1329447371 /nfs/dbraw/zinc/44/73/71/1329447371.db2.gz BAITXCXMEPPAEH-CYBMUJFWSA-N 0 0 342.439 3.186 20 10 EGCDRN COCC[C@H](C)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000861988853 1329453585 /nfs/dbraw/zinc/45/35/85/1329453585.db2.gz PLDMGAKRHPFKFG-AWEZNQCLSA-N 0 0 342.439 3.309 20 10 EGCDRN CN(C)c1cc(F)c(CN(C)Cc2nccn2C(F)F)cc1F ZINC000862222290 1329467519 /nfs/dbraw/zinc/46/75/19/1329467519.db2.gz UGCYSLXSULPMQF-UHFFFAOYSA-N 0 0 330.329 3.254 20 10 EGCDRN Cc1noc(C2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)n1 ZINC000862226895 1329467817 /nfs/dbraw/zinc/46/78/17/1329467817.db2.gz HDHSNXFITLZKLR-UHFFFAOYSA-N 0 0 336.386 3.102 20 10 EGCDRN Cc1noc([C@H](C)N(C)Cc2c(O)cccc2Br)n1 ZINC000862405608 1329483604 /nfs/dbraw/zinc/48/36/04/1329483604.db2.gz HPSQXTIPOYNQDM-QMMMGPOBSA-N 0 0 326.194 3.039 20 10 EGCDRN Fc1ccc2c(c1)OCCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000862551656 1329495981 /nfs/dbraw/zinc/49/59/81/1329495981.db2.gz VXVJHXSSCKLERM-UHFFFAOYSA-N 0 0 342.414 3.057 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000862757057 1329507000 /nfs/dbraw/zinc/50/70/00/1329507000.db2.gz FUMQDRHXCKXDFH-UHFFFAOYSA-N 0 0 346.358 3.342 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)c2cc3c([nH]c2=O)CCCCC3)c1 ZINC000862759325 1329507166 /nfs/dbraw/zinc/50/71/66/1329507166.db2.gz BQYQIONTIBNXRM-UHFFFAOYSA-N 0 0 326.396 3.000 20 10 EGCDRN COCCOCCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863161595 1329531326 /nfs/dbraw/zinc/53/13/26/1329531326.db2.gz QQCFKLMQDKXYSQ-UHFFFAOYSA-N 0 0 344.455 3.072 20 10 EGCDRN Cc1cc(CNC(=O)CCc2ncccn2)c(C)n1-c1cccc(C)c1 ZINC000863159912 1329531359 /nfs/dbraw/zinc/53/13/59/1329531359.db2.gz JTXRDIKJJGFVPD-UHFFFAOYSA-N 0 0 348.450 3.442 20 10 EGCDRN Cc1cnn(CCC(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000863165273 1329531540 /nfs/dbraw/zinc/53/15/40/1329531540.db2.gz QSIIXQQVYYMDCE-UHFFFAOYSA-N 0 0 336.439 3.306 20 10 EGCDRN Cc1noc(CCC(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000863165892 1329531679 /nfs/dbraw/zinc/53/16/79/1329531679.db2.gz FDDIJKBBHCRCGA-UHFFFAOYSA-N 0 0 338.411 3.035 20 10 EGCDRN CCOC(=O)c1[nH]c(C)c(/C=C2\SC(=S)N(CC)C2=O)c1C ZINC000863175673 1329532103 /nfs/dbraw/zinc/53/21/03/1329532103.db2.gz NZHZOQYCTMCGKK-XFFZJAGNSA-N 0 0 338.454 3.029 20 10 EGCDRN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccoc2CC(N)=O)C1 ZINC000863256785 1329540296 /nfs/dbraw/zinc/54/02/96/1329540296.db2.gz ZNYOQLVLNGHWKJ-CQSZACIVSA-N 0 0 340.423 3.173 20 10 EGCDRN C[C@H](CCC[C@@H](C)C(=O)[O-])[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000864504527 1329619680 /nfs/dbraw/zinc/61/96/80/1329619680.db2.gz VZDASYAQIVZHQX-VXGBXAGGSA-N 0 0 328.403 3.400 20 10 EGCDRN CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)cc1F ZINC000864513658 1329620734 /nfs/dbraw/zinc/62/07/34/1329620734.db2.gz FMBUGFFQHNKGOE-WBMJQRKESA-N 0 0 340.414 3.400 20 10 EGCDRN C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864517066 1329621186 /nfs/dbraw/zinc/62/11/86/1329621186.db2.gz UKDJYPLNSXCUTG-KZULUSFZSA-N 0 0 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C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736132850 1426595861 /nfs/dbraw/zinc/59/58/61/1426595861.db2.gz DQLSHLBALKVWSQ-JTQLQIEISA-N 0 0 329.791 3.077 20 10 EGCDRN C[C@H]([NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(N(C)C)cc1 ZINC000824538107 1427557273 /nfs/dbraw/zinc/55/72/73/1427557273.db2.gz HJTJPBKRTOHCRP-AWEZNQCLSA-N 0 0 348.454 3.273 20 10 EGCDRN CCC(CC)(C[NH2+]Cc1c(O)cccc1Br)C(=O)[O-] ZINC001589506735 955034659 /nfs/dbraw/zinc/03/46/59/955034659.db2.gz DAXMWKBBZHIQQX-UHFFFAOYSA-N 0 0 330.222 3.135 20 10 EGCDRN CC(C)C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000840995829 955585059 /nfs/dbraw/zinc/58/50/59/955585059.db2.gz CMDCSCBWPICVNT-OAHLLOKOSA-N 0 0 349.431 3.174 20 10 EGCDRN C[C@@H](C[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)[O-] ZINC000840999043 955587753 /nfs/dbraw/zinc/58/77/53/955587753.db2.gz MZGRODYYUUZEHO-INIZCTEOSA-N 0 0 338.451 3.402 20 10 EGCDRN CCN(C)c1ccc(C[N@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001346256161 962330677 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CC[C@@H]1C(=O)N(Cc2ccc(N(CC)CC)c(F)c2)C(=O)N1C1CC1 ZINC000761247695 1301428497 /nfs/dbraw/zinc/42/84/97/1301428497.db2.gz DCWXUJWAZOCKQX-MRXNPFEDSA-N 0 0 347.434 3.377 20 10 EGCDRN Cc1cc(N(C)C)ccc1CN1C(=O)NC2(CCCCCC2)C1=O ZINC000761359907 1301449768 /nfs/dbraw/zinc/44/97/68/1301449768.db2.gz VLIBJARUJDXESW-UHFFFAOYSA-N 0 0 329.444 3.206 20 10 EGCDRN CN(C)c1ccc(CNC(=O)C2=Cc3cc(F)ccc3OC2)cc1F ZINC000761403375 1301455462 /nfs/dbraw/zinc/45/54/62/1301455462.db2.gz KLJDOCHIBXLIAR-UHFFFAOYSA-N 0 0 344.361 3.123 20 10 EGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)NC2(CCCCCC2)C1=O ZINC000761581982 1301504380 /nfs/dbraw/zinc/50/43/80/1301504380.db2.gz YOBJOMVZVMEXOC-AWEZNQCLSA-N 0 0 329.444 3.458 20 10 EGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](C2CCCCC2)C1=O ZINC000761579839 1301505323 /nfs/dbraw/zinc/50/53/23/1301505323.db2.gz OYMLKZKWAABUBO-GUYCJALGSA-N 0 0 329.444 3.314 20 10 EGCDRN Cc1cc(Cn2cc(-c3cnn(C)c3)nn2)ccc1N1CCCCC1 ZINC000881381643 1301548181 /nfs/dbraw/zinc/54/81/81/1301548181.db2.gz 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YHDTZFDXXBWSDW-UHFFFAOYSA-N 0 0 330.365 3.047 20 10 EGCDRN C[C@H](Oc1cccc2c1C(=O)c1c(O)cccc1C2=O)c1cnccn1 ZINC001226382441 1375249798 /nfs/dbraw/zinc/24/97/98/1375249798.db2.gz BUQDZDGXLOIGSQ-NSHDSACASA-N 0 0 346.342 3.098 20 10 EGCDRN O=C1C=CC(=NNc2ccccc2)C(O[C@H]2CCS(=O)(=O)C2)=C1 ZINC001229815697 1375899278 /nfs/dbraw/zinc/89/92/78/1375899278.db2.gz JWDVWLRHWBVHGN-YWMAMYRUSA-N 0 0 332.381 3.374 20 10 EGCDRN O=C1CN(Cc2ccc(OCc3ccccc3)cc2O)CCC[C@H]1F ZINC001231466222 1376247216 /nfs/dbraw/zinc/24/72/16/1376247216.db2.gz PGLFOBXXKVQYAE-GOSISDBHSA-N 0 0 343.398 3.474 20 10 EGCDRN COc1ccc(Br)c(CN2CCC[C@](C)(F)C2)c1O ZINC001231546903 1376261046 /nfs/dbraw/zinc/26/10/46/1376261046.db2.gz CASWIEZHLXBBMF-AWEZNQCLSA-N 0 0 332.213 3.487 20 10 EGCDRN COc1ccc(Br)c(CN2CC3(C2)CC(F)(F)C3)c1O ZINC001231548556 1376262072 /nfs/dbraw/zinc/26/20/72/1376262072.db2.gz VSURVVNQPULJIJ-UHFFFAOYSA-N 0 0 348.187 3.394 20 10 EGCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC001231560666 1376266212 /nfs/dbraw/zinc/26/62/12/1376266212.db2.gz NQHQCHOPZYLEOI-UHFFFAOYSA-N 0 0 346.814 3.066 20 10 EGCDRN Cc1cccc(CN2CCc3nc(Br)sc3C2)c1O ZINC001231592553 1376274305 /nfs/dbraw/zinc/27/43/05/1376274305.db2.gz OOCVVPQCQRZBSF-UHFFFAOYSA-N 0 0 339.258 3.478 20 10 EGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001231912027 1376348329 /nfs/dbraw/zinc/34/83/29/1376348329.db2.gz UHRYEUDYSVOZGZ-YJBOKZPZSA-N 0 0 337.847 3.206 20 10 EGCDRN COc1ccc(N2CCN(Cc3cnc(F)c(C)c3)CC2)c(C)c1 ZINC001231929898 1376354515 /nfs/dbraw/zinc/35/45/15/1376354515.db2.gz JYUPGXGEKAOJEG-UHFFFAOYSA-N 0 0 329.419 3.168 20 10 EGCDRN COc1cc2c(cn1)CCN(Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232271180 1376427050 /nfs/dbraw/zinc/42/70/50/1376427050.db2.gz PNRCHLUGWIEHHF-UHFFFAOYSA-N 0 0 334.803 3.016 20 10 EGCDRN CCOc1ccc(N2CCN(Cc3ccc(F)c(O)c3F)CC2)cc1 ZINC001232941558 1376542172 /nfs/dbraw/zinc/54/21/72/1376542172.db2.gz ZDKMBYQOHPYECI-UHFFFAOYSA-N 0 0 348.393 3.391 20 10 EGCDRN [O-]c1c(C[NH+]2CCC(O)(Cc3ccccc3)CC2)ccc(F)c1F ZINC001233074214 1376562897 /nfs/dbraw/zinc/56/28/97/1376562897.db2.gz LAAPRKLKJQJFPL-UHFFFAOYSA-N 0 0 333.378 3.240 20 10 EGCDRN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(F)c(F)c1[O-] ZINC001233077326 1376563551 /nfs/dbraw/zinc/56/35/51/1376563551.db2.gz JCGCQHSVSPPNNP-CQSZACIVSA-N 0 0 332.394 3.377 20 10 EGCDRN [O-]c1c(C[N@H+](Cc2cccnc2)C2CCOCC2)ccc(F)c1F ZINC001233077716 1376564337 /nfs/dbraw/zinc/56/43/37/1376564337.db2.gz XTBFNSRNNTUVEO-UHFFFAOYSA-N 0 0 334.366 3.247 20 10 EGCDRN Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079018 1376565752 /nfs/dbraw/zinc/56/57/52/1376565752.db2.gz SKYJLDBPPURIPF-UHFFFAOYSA-N 0 0 336.357 3.440 20 10 EGCDRN O=C1CCN(Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC001233193906 1376584072 /nfs/dbraw/zinc/58/40/72/1376584072.db2.gz HGFCWVQGQSJWHC-UHFFFAOYSA-N 0 0 334.213 3.473 20 10 EGCDRN COC[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)Cc2cn(C)nc21 ZINC001233285051 1376603197 /nfs/dbraw/zinc/60/31/97/1376603197.db2.gz QVSGNCZCCYPAOO-INIZCTEOSA-N 0 0 343.471 3.169 20 10 EGCDRN CC(C)(C)c1ccc(O)c(CN2CCN(C3CCCC3)C(=O)C2)c1 ZINC001233286362 1376604931 /nfs/dbraw/zinc/60/49/31/1376604931.db2.gz QCOZNMDTNHMUEW-UHFFFAOYSA-N 0 0 330.472 3.277 20 10 EGCDRN CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335941 1376618029 /nfs/dbraw/zinc/61/80/29/1376618029.db2.gz RTVSOCBMXNZRTA-NSHDSACASA-N 0 0 327.371 3.224 20 10 EGCDRN COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1c([O-])ccc(F)c1F)C2 ZINC001233335578 1376619705 /nfs/dbraw/zinc/61/97/05/1376619705.db2.gz CBWMSAGQXZLZGU-GFCCVEGCSA-N 0 0 349.377 3.459 20 10 EGCDRN CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1c([O-])ccc(F)c1F ZINC001233335046 1376619850 /nfs/dbraw/zinc/61/98/50/1376619850.db2.gz FSSMTTDSLOUMHB-UHFFFAOYSA-N 0 0 344.402 3.406 20 10 EGCDRN COc1ccc([C@H](C)Oc2nc[nH]c3cc(=O)c(O)cc2-3)cc1OC ZINC001233949017 1376742108 /nfs/dbraw/zinc/74/21/08/1376742108.db2.gz SVSVEUHKJJPCKH-JTQLQIEISA-N 0 0 342.351 3.198 20 10 EGCDRN [O-]c1cc(F)c(Br)cc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235118891 1376851177 /nfs/dbraw/zinc/85/11/77/1376851177.db2.gz HTZWTQUDPZMEPU-HNNXBMFYSA-N 0 0 343.240 3.012 20 10 EGCDRN CCC1(O)CC[NH+](Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235304166 1376866304 /nfs/dbraw/zinc/86/63/04/1376866304.db2.gz SSJKBFZKNYESFD-UHFFFAOYSA-N 0 0 332.213 3.031 20 10 EGCDRN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237058910 1376973900 /nfs/dbraw/zinc/97/39/00/1376973900.db2.gz LQBDGBBRWUSHHV-CQSZACIVSA-N 0 0 333.350 3.069 20 10 EGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001237802614 1376988078 /nfs/dbraw/zinc/98/80/78/1376988078.db2.gz MPCAFMGFOMRVMH-CYBMUJFWSA-N 0 0 337.782 3.018 20 10 EGCDRN CC(C)(C)OC(=O)Nc1cc(C(=O)NCc2ccccc2O)ccn1 ZINC001137471726 1377554049 /nfs/dbraw/zinc/55/40/49/1377554049.db2.gz YISSJSMWBPEYHG-UHFFFAOYSA-N 0 0 343.383 3.064 20 10 EGCDRN CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1c([O-])cccc1F ZINC001137832806 1377624535 /nfs/dbraw/zinc/62/45/35/1377624535.db2.gz INFBTTOHZLZVNO-UHFFFAOYSA-N 0 0 336.407 3.020 20 10 EGCDRN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137837395 1377626968 /nfs/dbraw/zinc/62/69/68/1377626968.db2.gz FCXHFGTZWSPSNM-ZDUSSCGKSA-N 0 0 338.423 3.268 20 10 EGCDRN O=C1CN(Cc2cccc(F)c2O)CCN1c1cccc(Cl)c1 ZINC001138129406 1377681308 /nfs/dbraw/zinc/68/13/08/1377681308.db2.gz BHGAGVJECVYGPR-UHFFFAOYSA-N 0 0 334.778 3.034 20 10 EGCDRN [O-]c1c(F)cccc1C[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001138127927 1377681785 /nfs/dbraw/zinc/68/17/85/1377681785.db2.gz WIZXLWIMVWKPJV-UHFFFAOYSA-N 0 0 345.296 3.313 20 10 EGCDRN COC(=O)c1ccc2c(c1)CN(Cc1ccc3c(c1)CCCN3C)C2 ZINC001138359314 1377709133 /nfs/dbraw/zinc/70/91/33/1377709133.db2.gz RAUGJOPVHAMAFF-UHFFFAOYSA-N 0 0 336.435 3.371 20 10 EGCDRN CCCOC1CC[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139128907 1377834734 /nfs/dbraw/zinc/83/47/34/1377834734.db2.gz ISRQOFFMPUGSQR-UHFFFAOYSA-N 0 0 331.412 3.198 20 10 EGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@H](COCC2CC2)C1 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326.440 3.304 20 10 EGCDRN Cc1ccc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000273059107 456162866 /nfs/dbraw/zinc/16/28/66/456162866.db2.gz XVKOFKGFUAIDLQ-UHFFFAOYSA-N 0 0 349.427 3.037 20 10 EGCDRN Cc1csc([C@H](NC(=O)NCc2ccccc2O)C(F)(F)F)n1 ZINC000297280664 456171174 /nfs/dbraw/zinc/17/11/74/456171174.db2.gz ZIECWORYTFKJKG-NSHDSACASA-N 0 0 345.346 3.260 20 10 EGCDRN C[C@H]1C[C@@H](CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000273098514 456176264 /nfs/dbraw/zinc/17/62/64/456176264.db2.gz OEXXLPHGRCSXIY-HOTGVXAUSA-N 0 0 333.476 3.099 20 10 EGCDRN CC(C)c1scnc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000289913766 456179476 /nfs/dbraw/zinc/17/94/76/456179476.db2.gz RCYYOUPYBBKMEZ-SNVBAGLBSA-N 0 0 335.429 3.430 20 10 EGCDRN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000289922589 456181559 /nfs/dbraw/zinc/18/15/59/456181559.db2.gz UZHMPIBZTRBXOU-IXDGSTSKSA-N 0 0 342.395 3.117 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NOCC1CC1 ZINC000297316805 456182884 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CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273543026 456237514 /nfs/dbraw/zinc/23/75/14/456237514.db2.gz YUUSODIKOAPREI-LLVKDONJSA-N 0 0 332.404 3.010 20 10 EGCDRN COc1ccc(COCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273546659 456238131 /nfs/dbraw/zinc/23/81/31/456238131.db2.gz ZLVDOGOTRINUED-ZDUSSCGKSA-N 0 0 346.383 3.176 20 10 EGCDRN Cc1nnc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000274219847 456252813 /nfs/dbraw/zinc/25/28/13/456252813.db2.gz OCKKXPUVAMVYRC-CHWSQXEVSA-N 0 0 332.473 3.095 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(C)ccn1 ZINC000297602477 456261446 /nfs/dbraw/zinc/26/14/46/456261446.db2.gz VYAWZQIEJAZTCV-UHFFFAOYSA-N 0 0 326.444 3.188 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCc3cc(C)ccc3C2)cc1OC ZINC000302708437 456381297 /nfs/dbraw/zinc/38/12/97/456381297.db2.gz JYIBNVDIYFIJFN-UHFFFAOYSA-N 0 0 328.368 3.483 20 10 EGCDRN O=C([C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CCCC1 ZINC000290659688 456398356 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ZINC000282436456 456513541 /nfs/dbraw/zinc/51/35/41/456513541.db2.gz HUVVSPGKESMRPW-UHFFFAOYSA-N 0 0 329.444 3.114 20 10 EGCDRN CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1C[C@H]1CCCO1 ZINC000291130285 456539023 /nfs/dbraw/zinc/53/90/23/456539023.db2.gz OCIXNAVEECHKMN-OAHLLOKOSA-N 0 0 344.459 3.097 20 10 EGCDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1c(F)ccc(O)c1O ZINC000276663461 456545601 /nfs/dbraw/zinc/54/56/01/456545601.db2.gz MYECYZXQYPZDPG-UHFFFAOYSA-N 0 0 344.386 3.109 20 10 EGCDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(=O)[nH]1 ZINC000298933309 456570673 /nfs/dbraw/zinc/57/06/73/456570673.db2.gz CJAVLQJYGXHASU-UHFFFAOYSA-N 0 0 327.428 3.212 20 10 EGCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276890998 456612489 /nfs/dbraw/zinc/61/24/89/456612489.db2.gz HOYHXFUHMITIHX-DGCLKSJQSA-N 0 0 339.357 3.311 20 10 EGCDRN CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000299350995 456664703 /nfs/dbraw/zinc/66/47/03/456664703.db2.gz PYTWGNPRMBRFBS-HNNXBMFYSA-N 0 0 340.423 3.039 20 10 EGCDRN O=C(NCc1ccccc1O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000299497477 456710729 /nfs/dbraw/zinc/71/07/29/456710729.db2.gz LCNHUCBZYGTTFA-QGZVFWFLSA-N 0 0 342.395 3.272 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000299676029 456763290 /nfs/dbraw/zinc/76/32/90/456763290.db2.gz RTBWJABFXWOENS-UHFFFAOYSA-N 0 0 343.423 3.391 20 10 EGCDRN CCn1cc(-c2n[nH]cc2C(=O)N2CCc3cc(Cl)ccc32)cn1 ZINC000341708675 456909105 /nfs/dbraw/zinc/90/91/05/456909105.db2.gz PXBZUZCTFZDJEL-UHFFFAOYSA-N 0 0 341.802 3.149 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[C@@H]3C(F)F)ccc21 ZINC000345765252 456992721 /nfs/dbraw/zinc/99/27/21/456992721.db2.gz WNPVURGTQZGXDR-LSDHHAIUSA-N 0 0 336.382 3.288 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C1CCOCC1 ZINC000349669989 457011503 /nfs/dbraw/zinc/01/15/03/457011503.db2.gz QAMFYBYWKARVNE-AWEZNQCLSA-N 0 0 329.444 3.101 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(N2CCCC2)nc1 ZINC000352122099 457340305 /nfs/dbraw/zinc/34/03/05/457340305.db2.gz SJEHZABVMHRWDI-UHFFFAOYSA-N 0 0 348.450 3.412 20 10 EGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]2CCCO[C@H]21 ZINC000374163969 457504331 /nfs/dbraw/zinc/50/43/31/457504331.db2.gz UYWPHTTWRWWSCB-KCPJHIHWSA-N 0 0 340.807 3.247 20 10 EGCDRN COC[C@@H]1CCCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000375123756 457801918 /nfs/dbraw/zinc/80/19/18/457801918.db2.gz IYKFDRNIJBPTKU-QGZVFWFLSA-N 0 0 341.455 3.378 20 10 EGCDRN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000367538554 457960630 /nfs/dbraw/zinc/96/06/30/457960630.db2.gz QFTYUMSKOXCUFZ-MSOLQXFVSA-N 0 0 342.414 3.373 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000375671369 458014589 /nfs/dbraw/zinc/01/45/89/458014589.db2.gz HLQNINBYEKQOTM-NSHDSACASA-N 0 0 339.800 3.026 20 10 EGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cnc2cnccn12 ZINC000368621553 458050509 /nfs/dbraw/zinc/05/05/09/458050509.db2.gz ACZKLQVLRSTWKF-UHFFFAOYSA-N 0 0 330.338 3.284 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000376803728 458393370 /nfs/dbraw/zinc/39/33/70/458393370.db2.gz HFPSAIRQUCDBPG-GFCCVEGCSA-N 0 0 332.227 3.474 20 10 EGCDRN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437014711 458423284 /nfs/dbraw/zinc/42/32/84/458423284.db2.gz FAXQMAYRODBWNC-RHSMWYFYSA-N 0 0 332.444 3.073 20 10 EGCDRN O=C(/C=C\c1ccccc1-n1cccn1)N1CCCc2ncccc21 ZINC000493634408 458519922 /nfs/dbraw/zinc/51/99/22/458519922.db2.gz YXALXQPKUKMIFM-KHPPLWFESA-N 0 0 330.391 3.260 20 10 EGCDRN CC(C)n1cc(/C=C2\c3cc(Br)cnc3N(C)C2=O)cn1 ZINC000373549894 458529434 /nfs/dbraw/zinc/52/94/34/458529434.db2.gz UELWBNITWUWGJP-YIXHJXPBSA-N 0 0 347.216 3.139 20 10 EGCDRN COCC1(CCNC(=O)NCc2c(C)c3ccccc3n2C)CCC1 ZINC000454865456 458577293 /nfs/dbraw/zinc/57/72/93/458577293.db2.gz ASWIDFSNDJEUME-UHFFFAOYSA-N 0 0 343.471 3.493 20 10 EGCDRN CO[C@@H]([C@@H](C)NC(=O)NCc1c(C)c2ccccc2n1C)C1CC1 ZINC000454868902 458577978 /nfs/dbraw/zinc/57/79/78/458577978.db2.gz FNKBZSQIIBCCMZ-ACJLOTCBSA-N 0 0 329.444 3.099 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000472128631 458768847 /nfs/dbraw/zinc/76/88/47/458768847.db2.gz RSSOFDQRVCSUNA-HNAYVOBHSA-N 0 0 343.471 3.490 20 10 EGCDRN COC[C@@H]1CCCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472281378 458779724 /nfs/dbraw/zinc/77/97/24/458779724.db2.gz MDEAAMSXRFCHIR-MRXNPFEDSA-N 0 0 343.471 3.445 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000548756876 458873291 /nfs/dbraw/zinc/87/32/91/458873291.db2.gz UFFAXOWNYPIZJD-KRWDZBQOSA-N 0 0 335.407 3.122 20 10 EGCDRN CCc1nc(C)c(CNC(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000567256815 459075775 /nfs/dbraw/zinc/07/57/75/459075775.db2.gz JCLLBYDINSLFSP-UHFFFAOYSA-N 0 0 340.427 3.345 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000525917382 459514816 /nfs/dbraw/zinc/51/48/16/459514816.db2.gz SVMSTTINMZCHMQ-OAHLLOKOSA-N 0 0 341.455 3.388 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CC12CCOCC2 ZINC000572454663 459580037 /nfs/dbraw/zinc/58/00/37/459580037.db2.gz LYWDYWGTTLUVPE-OAHLLOKOSA-N 0 0 341.455 3.103 20 10 EGCDRN O=C(/C=C\c1cnccn1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000491149880 459601447 /nfs/dbraw/zinc/60/14/47/459601447.db2.gz BPIKTUIQHDKMDI-XQRVVYSFSA-N 0 0 333.313 3.488 20 10 EGCDRN O=C(/C=C\c1cnccn1)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000491187944 459603823 /nfs/dbraw/zinc/60/38/23/459603823.db2.gz VJFASLANDPQEEB-TWGQIWQCSA-N 0 0 334.354 3.257 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000527450157 459641927 /nfs/dbraw/zinc/64/19/27/459641927.db2.gz WAOBDSBRPICQPT-HNNXBMFYSA-N 0 0 337.427 3.087 20 10 EGCDRN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCSc2ncccc21 ZINC000491901458 459684440 /nfs/dbraw/zinc/68/44/40/459684440.db2.gz AVXRCSGEZJRLGM-GQCTYLIASA-N 0 0 345.355 3.281 20 10 EGCDRN O=C(/C=C\c1cncc(F)c1)N1CCC[C@@H](O)c2cc(F)ccc21 ZINC000492534360 459708754 /nfs/dbraw/zinc/70/87/54/459708754.db2.gz KIPCIOYKOMWCAF-GPCFVJJQSA-N 0 0 330.334 3.233 20 10 EGCDRN COC(=O)CCN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1C ZINC000492942902 459726873 /nfs/dbraw/zinc/72/68/73/459726873.db2.gz AVNLJBXXPIJPHU-FPLPWBNLSA-N 0 0 342.370 3.139 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cnnc2ccccc21 ZINC000528859558 459815646 /nfs/dbraw/zinc/81/56/46/459815646.db2.gz DRKOSVJQJDMBNG-UHFFFAOYSA-N 0 0 333.391 3.144 20 10 EGCDRN Cc1cocc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000528858642 459815649 /nfs/dbraw/zinc/81/56/49/459815649.db2.gz ABQYRDNXYHLVAD-HNNXBMFYSA-N 0 0 348.830 3.341 20 10 EGCDRN C[C@@H]1C[C@H]1c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000545768896 459854158 /nfs/dbraw/zinc/85/41/58/459854158.db2.gz DFNKIHJBRQYXPB-ZWNOBZJWSA-N 0 0 325.393 3.076 20 10 EGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000186249582 547125626 /nfs/dbraw/zinc/12/56/26/547125626.db2.gz GLXFEMZYBLOMIA-CQSZACIVSA-N 0 0 346.452 3.414 20 10 EGCDRN COC(=O)[C@H](C)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000726175256 574544425 /nfs/dbraw/zinc/54/44/25/574544425.db2.gz KBYWNMPNRFAPAW-LLVKDONJSA-N 0 0 348.830 3.286 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2nc(C)no2)cc1 ZINC000726279944 574547883 /nfs/dbraw/zinc/54/78/83/574547883.db2.gz QKIISWBSFAYDOR-ZDUSSCGKSA-N 0 0 345.447 3.127 20 10 EGCDRN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c(O)c1O ZINC000727005254 574630929 /nfs/dbraw/zinc/63/09/29/574630929.db2.gz LYUKYGNMWKZJFE-UHFFFAOYSA-N 0 0 343.379 3.325 20 10 EGCDRN C[C@H]1CCc2ccccc2N1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727240362 574655694 /nfs/dbraw/zinc/65/56/94/574655694.db2.gz GGOXFLMLIDAOGO-INIZCTEOSA-N 0 0 337.467 3.210 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)CCC(C)C)cc1 ZINC000727483049 574670737 /nfs/dbraw/zinc/67/07/37/574670737.db2.gz DCHAPOAHVDGFHW-UHFFFAOYSA-N 0 0 347.503 3.044 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cnc(C)nc2)cc1 ZINC000728689829 574766957 /nfs/dbraw/zinc/76/69/57/574766957.db2.gz JXDZWFJLBBZJPH-UHFFFAOYSA-N 0 0 327.432 3.295 20 10 EGCDRN CSCCNC(=S)N(Cc1ccco1)Cc1ccccc1O ZINC000752730706 574814157 /nfs/dbraw/zinc/81/41/57/574814157.db2.gz RAPOPMKBACEAOJ-UHFFFAOYSA-N 0 0 336.482 3.225 20 10 EGCDRN CCC(CC)CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000729503184 574866008 /nfs/dbraw/zinc/86/60/08/574866008.db2.gz JIWACSCONGVOOQ-UHFFFAOYSA-N 0 0 333.476 3.399 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCCC(=O)NC(C)C)cc1 ZINC000729512115 574867823 /nfs/dbraw/zinc/86/78/23/574867823.db2.gz DZNWOPOSFHSIJC-UHFFFAOYSA-N 0 0 347.503 3.186 20 10 EGCDRN COc1cccc(CNC(=O)c2cc3ccccc3cc2OC)c1O ZINC000729859259 574891702 /nfs/dbraw/zinc/89/17/02/574891702.db2.gz LUZYPCNJKGIWCH-UHFFFAOYSA-N 0 0 337.375 3.493 20 10 EGCDRN Cc1cc(C(=O)COc2nc(C)no2)c(C)n1-c1ccc(C)c(F)c1 ZINC000730730658 575014554 /nfs/dbraw/zinc/01/45/54/575014554.db2.gz IVKOHXXRPJPOMM-UHFFFAOYSA-N 0 0 343.358 3.495 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc3c2OCO3)cc1F ZINC000731346312 575067256 /nfs/dbraw/zinc/06/72/56/575067256.db2.gz UWIWETBWANGHEX-UHFFFAOYSA-N 0 0 344.386 3.331 20 10 EGCDRN COc1cccc(CNC(=O)c2ccccc2OCC(C)C)c1O ZINC000731366138 575068276 /nfs/dbraw/zinc/06/82/76/575068276.db2.gz FZNQLWVZHWDASV-UHFFFAOYSA-N 0 0 329.396 3.366 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)c3ncoc3C(C)C)CC2)cc1 ZINC000731902505 575217809 /nfs/dbraw/zinc/21/78/09/575217809.db2.gz QDQYTMRGJTYXGM-UHFFFAOYSA-N 0 0 343.427 3.205 20 10 EGCDRN CC(C)C(=O)Nc1ccc(C(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000732354062 575261606 /nfs/dbraw/zinc/26/16/06/575261606.db2.gz ZBBLAGFYCVNSRR-UHFFFAOYSA-N 0 0 347.392 3.088 20 10 EGCDRN CC(C)[C@H](OC(=O)C1=CC(=O)CS1)C(=O)N1CCCC[C@H]1C ZINC000732354635 575262020 /nfs/dbraw/zinc/26/20/20/575262020.db2.gz OZXXHVRSZVJCHF-RISCZKNCSA-N 0 0 325.430 3.036 20 10 EGCDRN CCC[C@@H](C)CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000733312869 575327097 /nfs/dbraw/zinc/32/70/97/575327097.db2.gz JAJHDSKFBGMSCD-OAHLLOKOSA-N 0 0 338.517 3.483 20 10 EGCDRN C[C@@]1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CCOC1 ZINC000733653617 575379266 /nfs/dbraw/zinc/37/92/66/575379266.db2.gz GZACPCZMGSIDQQ-IBGZPJMESA-N 0 0 344.411 3.124 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000733883969 575406736 /nfs/dbraw/zinc/40/67/36/575406736.db2.gz KVEWJSCPYYBYPX-KRWDZBQOSA-N 0 0 348.450 3.413 20 10 EGCDRN O=C(NCCCSc1nccs1)c1cnc(C2CC2)s1 ZINC000733973718 575416688 /nfs/dbraw/zinc/41/66/88/575416688.db2.gz UZBLYUAJLICHOE-UHFFFAOYSA-N 0 0 325.484 3.389 20 10 EGCDRN C[C@H]1CCC[C@H](OCC(=O)NCCCSc2nccs2)C1 ZINC000733974864 575417038 /nfs/dbraw/zinc/41/70/38/575417038.db2.gz NJBWBKXXDKIIQZ-STQMWFEESA-N 0 0 328.503 3.337 20 10 EGCDRN COc1ccc(O)c(CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000734016508 575427383 /nfs/dbraw/zinc/42/73/83/575427383.db2.gz XIRWMLXNYXAHOG-WBMJQRKESA-N 0 0 329.396 3.366 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1nc2ccccc2o1 ZINC000734402081 575480155 /nfs/dbraw/zinc/48/01/55/575480155.db2.gz GYCVOCXFLFPEQJ-UHFFFAOYSA-N 0 0 337.423 3.451 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000734652691 575531841 /nfs/dbraw/zinc/53/18/41/575531841.db2.gz XOLLWXNPBMNRTR-UHFFFAOYSA-N 0 0 341.459 3.470 20 10 EGCDRN O=C(NCc1ccccc1O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000734662979 575534006 /nfs/dbraw/zinc/53/40/06/575534006.db2.gz HSGXKFKCFLLLJA-LJQANCHMSA-N 0 0 340.423 3.359 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1nnc(CC(C)C)s1 ZINC000734641901 575535744 /nfs/dbraw/zinc/53/57/44/575535744.db2.gz GROSLLWFUYPIHQ-UHFFFAOYSA-N 0 0 347.488 3.433 20 10 EGCDRN Cc1ccc(F)c(N2CCC[C@H](OC(=O)C3=CC(=O)CS3)C2=O)c1 ZINC000735720519 575706238 /nfs/dbraw/zinc/70/62/38/575706238.db2.gz ZRJHCRHSKNYIKW-AWEZNQCLSA-N 0 0 349.383 3.254 20 10 EGCDRN Cc1cc(CC(=O)NCC[C@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000736188562 575909655 /nfs/dbraw/zinc/90/96/55/575909655.db2.gz COSRMRJXIBVBRA-ZDUSSCGKSA-N 0 0 334.847 3.177 20 10 EGCDRN O=C(NCCCSc1nccs1)c1ccc(Cl)cc1O ZINC000736680734 576004156 /nfs/dbraw/zinc/00/41/56/576004156.db2.gz RUDVHLHGDKEPCM-UHFFFAOYSA-N 0 0 328.846 3.414 20 10 EGCDRN CCO[C@@H](C)c1nc(COC(=O)c2ccc(C)c(O)c2O)cs1 ZINC000736808053 576036568 /nfs/dbraw/zinc/03/65/68/576036568.db2.gz BOXWXRLYBNTQTM-JTQLQIEISA-N 0 0 337.397 3.317 20 10 EGCDRN CCOc1ccc(N(C)CC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1 ZINC000739927324 576520908 /nfs/dbraw/zinc/52/09/08/576520908.db2.gz USWNMHVUQYKALH-APWZRJJASA-N 0 0 348.487 3.233 20 10 EGCDRN S=C(NCCc1ccccc1)NCc1ccc(N2CC=CC2)cc1 ZINC000740633590 576609548 /nfs/dbraw/zinc/60/95/48/576609548.db2.gz XJWSISHCTZHSLB-UHFFFAOYSA-N 0 0 337.492 3.270 20 10 EGCDRN C[C@@H](NC(=O)CCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000742583863 576790700 /nfs/dbraw/zinc/79/07/00/576790700.db2.gz REUGPQWBMLAEAA-GFCCVEGCSA-N 0 0 330.350 3.043 20 10 EGCDRN CCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742712667 576793857 /nfs/dbraw/zinc/79/38/57/576793857.db2.gz YOCNEFJVNMUGHH-ZDUSSCGKSA-N 0 0 341.402 3.356 20 10 EGCDRN C/C=C\C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742751502 576794843 /nfs/dbraw/zinc/79/48/43/576794843.db2.gz UVWYRXGVXAPWIQ-XITLMJRVSA-N 0 0 347.459 3.011 20 10 EGCDRN CCc1csc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000743225795 576803866 /nfs/dbraw/zinc/80/38/66/576803866.db2.gz WHZIICJXXCDQKG-UHFFFAOYSA-N 0 0 346.456 3.068 20 10 EGCDRN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)F ZINC000743339208 576805989 /nfs/dbraw/zinc/80/59/89/576805989.db2.gz OSFGSZIGIGGMNY-DGCLKSJQSA-N 0 0 331.334 3.098 20 10 EGCDRN CS[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000743552698 576811831 /nfs/dbraw/zinc/81/18/31/576811831.db2.gz RBRCIZLXMABPQF-NVXWUHKLSA-N 0 0 333.501 3.370 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@]2(C)c2ccccc2)cc1F ZINC000743643037 576813950 /nfs/dbraw/zinc/81/39/50/576813950.db2.gz YBYJTTZDHNBLHC-AZUAARDMSA-N 0 0 341.430 3.421 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2sc(C)nc2C)c1 ZINC000743657349 576814123 /nfs/dbraw/zinc/81/41/23/576814123.db2.gz QXEBGQSOBXFYRN-SECBINFHSA-N 0 0 335.429 3.035 20 10 EGCDRN Cc1ccn2cc(C(=O)NCc3c(O)ccc4c3CCCC4)nc2c1 ZINC000743718783 576815217 /nfs/dbraw/zinc/81/52/17/576815217.db2.gz LLGPYSOIRBRYEE-UHFFFAOYSA-N 0 0 335.407 3.157 20 10 EGCDRN O=C(C1=CC(=O)CS1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743759686 576815555 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/nfs/dbraw/zinc/58/09/03/1300580903.db2.gz QTFHAIKWWWYNCC-JTQLQIEISA-N 0 0 336.338 3.428 20 10 EGCDRN C[C@H](Nc1cnn(Cc2ccccn2)c1)c1cc(F)cc(F)c1O ZINC000756867208 1300581626 /nfs/dbraw/zinc/58/16/26/1300581626.db2.gz GVNKLDVYEZRNAD-NSHDSACASA-N 0 0 330.338 3.483 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCNc2cccc(F)c2)c1 ZINC000757658359 1300706205 /nfs/dbraw/zinc/70/62/05/1300706205.db2.gz RGVOVMCYNZCNQG-CYBMUJFWSA-N 0 0 346.402 3.471 20 10 EGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000758561721 1300912539 /nfs/dbraw/zinc/91/25/39/1300912539.db2.gz QYAPFLDJPLTSGS-LBPRGKRZSA-N 0 0 334.213 3.117 20 10 EGCDRN CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O ZINC000758572858 1300914634 /nfs/dbraw/zinc/91/46/34/1300914634.db2.gz NYDZFJXYLZPNNG-SNVBAGLBSA-N 0 0 347.392 3.004 20 10 EGCDRN O=C(OCc1nc2ccccc2n1C(F)F)c1cccc(O)c1O ZINC000758572868 1300914806 /nfs/dbraw/zinc/91/48/06/1300914806.db2.gz OFYGMGWEVQICBG-UHFFFAOYSA-N 0 0 334.278 3.200 20 10 EGCDRN CCC[C@@H]1CN(C(=O)NCc2ccc(N(CC)CC)cc2)CCO1 ZINC000758714416 1300942861 /nfs/dbraw/zinc/94/28/61/1300942861.db2.gz KLYXDLPUBIDMKA-GOSISDBHSA-N 0 0 333.476 3.243 20 10 EGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000758865414 1300967710 /nfs/dbraw/zinc/96/77/10/1300967710.db2.gz CUBDNFNPUZUCFJ-NSHDSACASA-N 0 0 348.374 3.109 20 10 EGCDRN CCNc1nc(C)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)s1 ZINC000759240691 1301048425 /nfs/dbraw/zinc/04/84/25/1301048425.db2.gz NWDDPGLNWQLXIJ-SECBINFHSA-N 0 0 335.429 3.089 20 10 EGCDRN CCC(=CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)CC ZINC000759459251 1301096082 /nfs/dbraw/zinc/09/60/82/1301096082.db2.gz OCSRBDNWOGSNER-UHFFFAOYSA-N 0 0 332.444 3.001 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC000759489474 1301102370 /nfs/dbraw/zinc/10/23/70/1301102370.db2.gz ZRQHUUNUWAXJHZ-MRXNPFEDSA-N 0 0 340.423 3.187 20 10 EGCDRN O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1CCCc2ccccc2C1=O ZINC000759588458 1301123107 /nfs/dbraw/zinc/12/31/07/1301123107.db2.gz 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20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC1Cc2ccccc2C1 ZINC000762584386 1301708043 /nfs/dbraw/zinc/70/80/43/1301708043.db2.gz KDCRJBIGBPARJZ-UHFFFAOYSA-N 0 0 336.435 3.238 20 10 EGCDRN COc1cc(N(C)Cc2ccc(OC(C)=O)cc2)cc(OC)c1OC ZINC000762631982 1301717828 /nfs/dbraw/zinc/71/78/28/1301717828.db2.gz BEWSAHQAVASJOF-UHFFFAOYSA-N 0 0 345.395 3.274 20 10 EGCDRN Cc1cnc(C)c(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000762788170 1301748712 /nfs/dbraw/zinc/74/87/12/1301748712.db2.gz VUIVTAGNBHBZKK-OKILXGFUSA-N 0 0 344.434 3.458 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)c1C(F)F ZINC000764900981 1302161717 /nfs/dbraw/zinc/16/17/17/1302161717.db2.gz ZTKDIGGDZQOFLO-UHFFFAOYSA-N 0 0 336.386 3.086 20 10 EGCDRN Cc1cc2c(NCc3cccc(Br)c3O)nccn2n1 ZINC000764933582 1302170664 /nfs/dbraw/zinc/17/06/64/1302170664.db2.gz FPSYXDQMMOLLEK-UHFFFAOYSA-N 0 0 333.189 3.118 20 10 EGCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1nnc2n1CCCCC2 ZINC000882959313 1302183904 /nfs/dbraw/zinc/18/39/04/1302183904.db2.gz 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O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000768152685 1302837740 /nfs/dbraw/zinc/83/77/40/1302837740.db2.gz SUYOMUTZKVABFO-UHFFFAOYSA-N 0 0 347.802 3.276 20 10 EGCDRN Oc1cc2c(cc1C[N@@H+]1CCSC3(CCCCC3)C1)[C@@H](O)CO2 ZINC000768463381 1302911622 /nfs/dbraw/zinc/91/16/22/1302911622.db2.gz HVGWHSISYFVKNY-INIZCTEOSA-N 0 0 335.469 3.070 20 10 EGCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCC(C)(C)C3)CC2)cc1F ZINC000768765852 1302973621 /nfs/dbraw/zinc/97/36/21/1302973621.db2.gz VLYCDOYNXLSGSL-CQSZACIVSA-N 0 0 349.450 3.245 20 10 EGCDRN C[C@@H](CCC1CC1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000768921927 1303013640 /nfs/dbraw/zinc/01/36/40/1303013640.db2.gz AXMOBDWUXKGTNU-AWEZNQCLSA-N 0 0 349.450 3.040 20 10 EGCDRN CCNc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000768938280 1303016785 /nfs/dbraw/zinc/01/67/85/1303016785.db2.gz KUYOXMZRUBAJDN-UHFFFAOYSA-N 0 0 344.484 3.446 20 10 EGCDRN COc1ccccc1CN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769315476 1303090720 /nfs/dbraw/zinc/09/07/20/1303090720.db2.gz BSCHMEVEGQUDCI-UHFFFAOYSA-N 0 0 346.858 3.372 20 10 EGCDRN COC(=O)c1ccc2c(c1)CN(Cc1ccc(N(C)C)c(F)c1)C2 ZINC000769368776 1303100117 /nfs/dbraw/zinc/10/01/17/1303100117.db2.gz FTOIWMCGXJQLAD-UHFFFAOYSA-N 0 0 328.387 3.194 20 10 EGCDRN CN(Cc1ccon1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769465741 1303118247 /nfs/dbraw/zinc/11/82/47/1303118247.db2.gz JAAZJPAXSPDEEE-UHFFFAOYSA-N 0 0 330.388 3.205 20 10 EGCDRN COc1ccc(O)c(CNC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000769543223 1303138243 /nfs/dbraw/zinc/13/82/43/1303138243.db2.gz YRBWJHLNWAYMGI-POZUXBRTSA-N 0 0 349.471 3.494 20 10 EGCDRN CCc1nn(C)c(NCc2ccc(N(CC)CC)c(F)c2)c1[N+](=O)[O-] ZINC000769875841 1303186907 /nfs/dbraw/zinc/18/69/07/1303186907.db2.gz FABXGSDZWDWRQB-UHFFFAOYSA-N 0 0 349.410 3.488 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)c1cc(C(C)C)nc2ncnn21 ZINC000770472939 1303273174 /nfs/dbraw/zinc/27/31/74/1303273174.db2.gz REERVPQVVRHLCT-UHFFFAOYSA-N 0 0 338.459 3.340 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCC(F)(F)F 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CCc1cccc(CNc2ccc(C(N)=O)cc2OC(C)C)c1O ZINC000848918391 1322046077 /nfs/dbraw/zinc/04/60/77/1322046077.db2.gz YFKPBHWEXPLSNI-UHFFFAOYSA-N 0 0 328.412 3.453 20 10 EGCDRN CO[C@@H](CS(=O)(=O)Nc1ccc(O)c(Cl)c1)C1CCCCC1 ZINC000849307711 1322109822 /nfs/dbraw/zinc/10/98/22/1322109822.db2.gz CZZMTNVQFQPWHI-HNNXBMFYSA-N 0 0 347.864 3.383 20 10 EGCDRN COc1cc(CNc2ccc(CCO)nc2)c(O)c(C(C)(C)C)c1 ZINC000849346503 1322115530 /nfs/dbraw/zinc/11/55/30/1322115530.db2.gz YFHLUKVBSRIURR-UHFFFAOYSA-N 0 0 330.428 3.240 20 10 EGCDRN CC(C)[C@@H](Sc1ncc(Cl)s1)C(=O)NC[C@H]1CCCO1 ZINC000849998410 1322178651 /nfs/dbraw/zinc/17/86/51/1322178651.db2.gz FQSMAQVCRRZVAG-MWLCHTKSSA-N 0 0 334.894 3.208 20 10 EGCDRN CC(=O)C(=O)COc1cc(C(F)(F)F)ccc1Br ZINC000850002981 1322179863 /nfs/dbraw/zinc/17/98/63/1322179863.db2.gz MINUUPFQWSRRNW-UHFFFAOYSA-N 0 0 325.080 3.005 20 10 EGCDRN CCc1nnc(CNCc2cc(OC)cc(C(C)(C)C)c2O)s1 ZINC000850306099 1322225282 /nfs/dbraw/zinc/22/52/82/1322225282.db2.gz KABVKYYNMZDPPB-UHFFFAOYSA-N 0 0 335.473 3.402 20 10 EGCDRN CS(=O)(=O)C1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCCCC1 ZINC000850376226 1322235797 /nfs/dbraw/zinc/23/57/97/1322235797.db2.gz CUTRHZNCWQNWFG-UHFFFAOYSA-N 0 0 349.855 3.022 20 10 EGCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@]1(O)CCCOC1 ZINC000850401148 1322239343 /nfs/dbraw/zinc/23/93/43/1322239343.db2.gz VQHBNKZSIXWETH-MRXNPFEDSA-N 0 0 348.270 3.356 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Br)cc(F)c1[O-] ZINC000850516882 1322259668 /nfs/dbraw/zinc/25/96/68/1322259668.db2.gz PCTNSOKVKVAGAL-BDAKNGLRSA-N 0 0 332.213 3.105 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000850544568 1322262608 /nfs/dbraw/zinc/26/26/08/1322262608.db2.gz IFHBAIDXGBFLGB-KOLCDFICSA-N 0 0 346.240 3.353 20 10 EGCDRN CNC(=O)CC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000850554937 1322265320 /nfs/dbraw/zinc/26/53/20/1322265320.db2.gz IEBCMDVMQNGERY-ZDUSSCGKSA-N 0 0 349.431 3.038 20 10 EGCDRN COCCOCCOc1cccc(NCc2cc(C)ccc2O)c1 ZINC000922905218 1322645910 /nfs/dbraw/zinc/64/59/10/1322645910.db2.gz OIJHFDNOQUFGQO-UHFFFAOYSA-N 0 0 331.412 3.355 20 10 EGCDRN CC[C@@H](O)CCCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000859744661 1329068781 /nfs/dbraw/zinc/06/87/81/1329068781.db2.gz GEEMYLLWXDSDPK-QGZVFWFLSA-N 0 0 342.439 3.188 20 10 EGCDRN CCCCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851930691 1323116056 /nfs/dbraw/zinc/11/60/56/1323116056.db2.gz ZFVSBMYVHDYFSC-UHFFFAOYSA-N 0 0 333.476 3.027 20 10 EGCDRN Cc1cc(C(=O)CN2CCn3cncc3C2)c(C)n1-c1ccccc1C ZINC000852064996 1323139909 /nfs/dbraw/zinc/13/99/09/1323139909.db2.gz GSNKXMIMERADNY-UHFFFAOYSA-N 0 0 348.450 3.298 20 10 EGCDRN CC[C@@H](C)CCNC(=O)NCc1cccc(Br)c1O ZINC000852489621 1323197173 /nfs/dbraw/zinc/19/71/73/1323197173.db2.gz GMLXEPWTTXHLDN-SNVBAGLBSA-N 0 0 329.238 3.390 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccnn2CC)cc1 ZINC000852715457 1323231695 /nfs/dbraw/zinc/23/16/95/1323231695.db2.gz NXEKUOPHTUJPAP-UHFFFAOYSA-N 0 0 343.475 3.091 20 10 EGCDRN COc1cccc(C(=O)NCCc2ccc(N)cc2)c1OC(C)C ZINC000852797661 1323242891 /nfs/dbraw/zinc/24/28/91/1323242891.db2.gz YTBNBZWTCSNXMT-UHFFFAOYSA-N 0 0 328.412 3.037 20 10 EGCDRN C[C@H]1C[C@@H](NCc2ccc(N3CCC(C)CC3)cc2)c2ncnn21 ZINC000925008325 1323243376 /nfs/dbraw/zinc/24/33/76/1323243376.db2.gz ZROCHVDJWOBGNI-MAUKXSAKSA-N 0 0 325.460 3.310 20 10 EGCDRN COCCC(C)(C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000859807935 1329082700 /nfs/dbraw/zinc/08/27/00/1329082700.db2.gz MOIDURSEJZYYCG-UHFFFAOYSA-N 0 0 342.439 3.452 20 10 EGCDRN CCN(CC(C)(C)O)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000859823722 1329087603 /nfs/dbraw/zinc/08/76/03/1329087603.db2.gz PWPUUPZKJKWOIN-UHFFFAOYSA-N 0 0 342.439 3.140 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCO[C@H](C)[C@@H]2C)c1 ZINC000860170339 1329165109 /nfs/dbraw/zinc/16/51/09/1329165109.db2.gz RVBDQZVZKCUHSU-GOEBONIOSA-N 0 0 340.423 3.156 20 10 EGCDRN COCC1(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1 ZINC000860175857 1329166773 /nfs/dbraw/zinc/16/67/73/1329166773.db2.gz IOKWZLVVEDIDJY-UHFFFAOYSA-N 0 0 340.423 3.124 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000860242612 1329182060 /nfs/dbraw/zinc/18/20/60/1329182060.db2.gz BBOIMMXETYLIPB-JRGCBEDISA-N 0 0 333.431 3.473 20 10 EGCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CCCCCC1 ZINC000853219624 1325064900 /nfs/dbraw/zinc/06/49/00/1325064900.db2.gz SKUQTKCWBQXTFT-UHFFFAOYSA-N 0 0 345.487 3.170 20 10 EGCDRN C1=CCN(c2ccc(CNc3nc(C4CCOCC4)ns3)cc2)C1 ZINC000853363678 1325084902 /nfs/dbraw/zinc/08/49/02/1325084902.db2.gz BXBZTIFWMNOMLG-UHFFFAOYSA-N 0 0 342.468 3.420 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C2CC2)C(C)(C)CO)cc1 ZINC000853457881 1325096181 /nfs/dbraw/zinc/09/61/81/1325096181.db2.gz YRJLWMYMZDYOIJ-SFHVURJKSA-N 0 0 347.503 3.129 20 10 EGCDRN COc1ccc(N2CCN(Cn3ncc(Cl)c3C3CC3)CC2)cc1 ZINC000853487998 1325102337 /nfs/dbraw/zinc/10/23/37/1325102337.db2.gz PMZSJOMFWRGKLO-UHFFFAOYSA-N 0 0 346.862 3.202 20 10 EGCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000853705304 1325150712 /nfs/dbraw/zinc/15/07/12/1325150712.db2.gz JKHOFYSYGYURKZ-JCNLHEQBSA-N 0 0 345.487 3.026 20 10 EGCDRN CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1(CO)CCC1 ZINC000854002503 1325200342 /nfs/dbraw/zinc/20/03/42/1325200342.db2.gz AUNJGOYMHDQGAG-CRAIPNDOSA-N 0 0 347.503 3.300 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3ccsc3Cl)CC2)cc1 ZINC000854198685 1325227597 /nfs/dbraw/zinc/22/75/97/1325227597.db2.gz OHXNDEQEJLGVSF-UHFFFAOYSA-N 0 0 336.844 3.373 20 10 EGCDRN CN(C)c1ccc(CNC(=O)CCC[C@H](O)c2ccccc2)cc1 ZINC000854271588 1325237740 /nfs/dbraw/zinc/23/77/40/1325237740.db2.gz MOZHNSVSXOSMIR-IBGZPJMESA-N 0 0 326.440 3.273 20 10 EGCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000856212834 1325465367 /nfs/dbraw/zinc/46/53/67/1325465367.db2.gz UMUCGSJEYJXUAI-MRXNPFEDSA-N 0 0 338.451 3.068 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000856249322 1325469689 /nfs/dbraw/zinc/46/96/89/1325469689.db2.gz VXWOOJRFGNIZKM-KPZWWZAWSA-N 0 0 332.469 3.246 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)[C@](C)(CO)C2)cc1 ZINC000856246045 1325469727 /nfs/dbraw/zinc/46/97/27/1325469727.db2.gz RRBLHNROGKCRRJ-VLIAUNLRSA-N 0 0 326.440 3.185 20 10 EGCDRN COc1ccc(F)c(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000856850679 1325537078 /nfs/dbraw/zinc/53/70/78/1325537078.db2.gz ZWQJSBLYRDOTAJ-CYBMUJFWSA-N 0 0 345.418 3.461 20 10 EGCDRN CCOCCn1cc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)cn1 ZINC000857034434 1325559444 /nfs/dbraw/zinc/55/94/44/1325559444.db2.gz GQLPJOSUUAETFT-UHFFFAOYSA-N 0 0 341.411 3.247 20 10 EGCDRN C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000927148542 1327892351 /nfs/dbraw/zinc/89/23/51/1327892351.db2.gz SAIIJDIIYCCJTB-NQMVMOMDSA-N 0 0 334.641 3.230 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)Nc2cnn(CCF)c2)C2CC2)cc1 ZINC000861488363 1329421612 /nfs/dbraw/zinc/42/16/12/1329421612.db2.gz PXODSHMAYZHQJF-UHFFFAOYSA-N 0 0 345.422 3.115 20 10 EGCDRN CC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)c1cc(C)ccc1C ZINC000861530483 1329424524 /nfs/dbraw/zinc/42/45/24/1329424524.db2.gz ZNOHBJKGGUAHFD-KRWDZBQOSA-N 0 0 325.412 3.092 20 10 EGCDRN CC[C@H](NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)[C@@H](C)O ZINC000861903771 1329449193 /nfs/dbraw/zinc/44/91/93/1329449193.db2.gz QIKQWQALAYVNBB-QAPCUYQASA-N 0 0 342.439 3.104 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000862759584 1329507497 /nfs/dbraw/zinc/50/74/97/1329507497.db2.gz GURXHRIQMOMOKG-HNNXBMFYSA-N 0 0 348.443 3.106 20 10 EGCDRN Cc1cc(CNC(=S)NC2CCOCC2)c(C)n1-c1ccccc1 ZINC000863233279 1329537235 /nfs/dbraw/zinc/53/72/35/1329537235.db2.gz LLVZEZNBTMNZLJ-UHFFFAOYSA-N 0 0 343.496 3.237 20 10 EGCDRN Cc1cc(C(=O)N(C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000863386323 1329551337 /nfs/dbraw/zinc/55/13/37/1329551337.db2.gz QOWMPOWTPOJDTQ-KDYLLFBJSA-N 0 0 330.403 3.076 20 10 EGCDRN CN(Cc1cc2c(cc1Br)OCCO2)c1ccc(N)cc1 ZINC000863556651 1329562902 /nfs/dbraw/zinc/56/29/02/1329562902.db2.gz BLVHIZNOMKIYSN-UHFFFAOYSA-N 0 0 349.228 3.439 20 10 EGCDRN [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1C(F)(F)F ZINC000863645054 1329570145 /nfs/dbraw/zinc/57/01/45/1329570145.db2.gz AAGJRXKWFGMVRK-MWLCHTKSSA-N 0 0 340.748 3.144 20 10 EGCDRN [NH3+]C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1C(F)(F)F ZINC000863645052 1329570323 /nfs/dbraw/zinc/57/03/23/1329570323.db2.gz AAGJRXKWFGMVRK-GXSJLCMTSA-N 0 0 340.748 3.144 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)c2cccc3ncn(C)c32)C2CC2)cc1 ZINC000863857880 1329586076 /nfs/dbraw/zinc/58/60/76/1329586076.db2.gz WVJAINIRQPBJPB-UHFFFAOYSA-N 0 0 348.450 3.444 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCOC1CCOCC1 ZINC000865026909 1329662746 /nfs/dbraw/zinc/66/27/46/1329662746.db2.gz CMQJZGCEWKOEGQ-UHFFFAOYSA-N 0 0 348.487 3.077 20 10 EGCDRN CN(C)c1ccc(CNCc2ccncc2Br)cc1F ZINC000865437319 1329697217 /nfs/dbraw/zinc/69/72/17/1329697217.db2.gz HHQXQMKNULWBES-UHFFFAOYSA-N 0 0 338.224 3.339 20 10 EGCDRN COc1ccc(N2CCN(C(=O)Nc3cncc(Cl)c3)CC2)cc1 ZINC000932112133 1329786069 /nfs/dbraw/zinc/78/60/69/1329786069.db2.gz OBBAOVUHRQMNEV-UHFFFAOYSA-N 0 0 346.818 3.098 20 10 EGCDRN CN(C(=O)C1CC1)c1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000932618208 1329827820 /nfs/dbraw/zinc/82/78/20/1329827820.db2.gz RROPMNIPUVIHMG-UHFFFAOYSA-N 0 0 339.395 3.087 20 10 EGCDRN O=C(NCCCSc1nccs1)c1cccc2c1CCOC2 ZINC000932684181 1329832807 /nfs/dbraw/zinc/83/28/07/1329832807.db2.gz UKRHKYZJPLJIFS-UHFFFAOYSA-N 0 0 334.466 3.128 20 10 EGCDRN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(Cl)n1 ZINC000934211463 1329956036 /nfs/dbraw/zinc/95/60/36/1329956036.db2.gz FJOPHPJJISUXRV-SECBINFHSA-N 0 0 335.791 3.207 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1noc2c1CCCC2 ZINC000934359325 1329972086 /nfs/dbraw/zinc/97/20/86/1329972086.db2.gz PLXKLISURXOPMO-UHFFFAOYSA-N 0 0 338.411 3.251 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000935944914 1330097778 /nfs/dbraw/zinc/09/77/78/1330097778.db2.gz CUPBHLJUOIGZGE-UHFFFAOYSA-N 0 0 342.395 3.198 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2nc(C)n(C)c2c1 ZINC000935945722 1330098005 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Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(N(C)C)cc3)c2)cs1 ZINC000028669506 1291312645 /nfs/dbraw/zinc/31/26/45/1291312645.db2.gz YKWREMFTAVJRRW-UHFFFAOYSA-N 0 0 340.452 3.443 20 10 EGCDRN O=C(NCCc1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000031091113 1291361166 /nfs/dbraw/zinc/36/11/66/1291361166.db2.gz IFSGDIIAHJZGIB-UHFFFAOYSA-N 0 0 341.430 3.468 20 10 EGCDRN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000044029482 1291468229 /nfs/dbraw/zinc/46/82/29/1291468229.db2.gz PBPBHNXTAULYGW-UHFFFAOYSA-N 0 0 326.425 3.496 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)NCCCOc2ccccc2)cc1 ZINC000045662523 1291513806 /nfs/dbraw/zinc/51/38/06/1291513806.db2.gz SOYPCLOTCKKKNE-UHFFFAOYSA-N 0 0 341.455 3.363 20 10 EGCDRN COc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)c(OC)c1 ZINC000046078419 1291524068 /nfs/dbraw/zinc/52/40/68/1291524068.db2.gz XAWXSYWFFOGEPX-CYBMUJFWSA-N 0 0 344.411 3.312 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000046983942 1291560636 /nfs/dbraw/zinc/56/06/36/1291560636.db2.gz BOONMBNFNXVFFI-UHFFFAOYSA-N 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1292361383 /nfs/dbraw/zinc/36/13/83/1292361383.db2.gz WQPCYRBYTLMAIS-OAHLLOKOSA-N 0 0 331.441 3.450 20 10 EGCDRN Cc1nnc(CN(C)Cc2cc(Br)cc(C)c2O)s1 ZINC000827806837 1292378698 /nfs/dbraw/zinc/37/86/98/1292378698.db2.gz WQXIJFATZLOIFJ-UHFFFAOYSA-N 0 0 342.262 3.255 20 10 EGCDRN COc1ccc(C(=O)C[C@@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827941678 1292409272 /nfs/dbraw/zinc/40/92/72/1292409272.db2.gz VWMNTWASGVSTNK-ZIAGYGMSSA-N 0 0 341.407 3.487 20 10 EGCDRN C[C@@H](NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000827951965 1292411703 /nfs/dbraw/zinc/41/17/03/1292411703.db2.gz AXNYUMPOLZJLLN-CYBMUJFWSA-N 0 0 348.443 3.264 20 10 EGCDRN COc1ccc(O)c(CNC(=O)COc2cccc(Cl)c2C)c1 ZINC000077014555 1292450434 /nfs/dbraw/zinc/45/04/34/1292450434.db2.gz IFXNNKIRHAXVLC-UHFFFAOYSA-N 0 0 335.787 3.058 20 10 EGCDRN COc1cc(C)cc(C(=O)NCCCSc2nccs2)c1O ZINC000077013752 1292450974 /nfs/dbraw/zinc/45/09/74/1292450974.db2.gz TWPVKIDLDZIZCR-UHFFFAOYSA-N 0 0 338.454 3.078 20 10 EGCDRN 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EGCDRN C[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756450115 1300495032 /nfs/dbraw/zinc/49/50/32/1300495032.db2.gz QOQMDNNYAKYSKY-KGLIPLIRSA-N 0 0 335.448 3.462 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)CN1C[C@H](C)C[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756454744 1300496362 /nfs/dbraw/zinc/49/63/62/1300496362.db2.gz NQGGKZYQPNPFBG-LJISPDSOSA-N 0 0 335.448 3.317 20 10 EGCDRN Cc1ccn2cc(C[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])nc2c1 ZINC000756531853 1300516107 /nfs/dbraw/zinc/51/61/07/1300516107.db2.gz AFRVNPQOHPZPEE-LBPRGKRZSA-N 0 0 326.356 3.107 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cc(F)cc(F)c1[O-] ZINC000756546944 1300518231 /nfs/dbraw/zinc/51/82/31/1300518231.db2.gz WDYPDMJMGOZHSL-LLVKDONJSA-N 0 0 330.338 3.102 20 10 EGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])N(C)C1CC1 ZINC000756548737 1300520005 /nfs/dbraw/zinc/52/00/05/1300520005.db2.gz KSWJQBMFYQTZEQ-ZJUUUORDSA-N 0 0 345.256 3.427 20 10 EGCDRN 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CCc1cccc(CNc2ccc(C3CC(=O)NC(=O)C3)cc2)c1O ZINC000848914272 1322044314 /nfs/dbraw/zinc/04/43/14/1322044314.db2.gz KIAYMKMBPCWFET-UHFFFAOYSA-N 0 0 338.407 3.087 20 10 EGCDRN Fc1cc2c(cc1F)CN(Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000848926490 1322047413 /nfs/dbraw/zinc/04/74/13/1322047413.db2.gz YZTGJNZTWZPISI-UHFFFAOYSA-N 0 0 348.368 3.456 20 10 EGCDRN COc1cncc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)c1 ZINC000849243862 1322100780 /nfs/dbraw/zinc/10/07/80/1322100780.db2.gz ZCOUHNNBEWHSJV-AWNIVKPZSA-N 0 0 339.420 3.423 20 10 EGCDRN C[C@H](Cc1cccc(O)c1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000919783604 1322106170 /nfs/dbraw/zinc/10/61/70/1322106170.db2.gz IJIRGSJBGYYANK-OAHLLOKOSA-N 0 0 341.455 3.231 20 10 EGCDRN Cc1cc(Br)ccc1N(C)C(=O)/C=C\c1cnn(C)c1 ZINC000919871313 1322113594 /nfs/dbraw/zinc/11/35/94/1322113594.db2.gz KWEFDOSLQZJOON-DAXSKMNVSA-N 0 0 334.217 3.167 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000920879810 1322230719 /nfs/dbraw/zinc/23/07/19/1322230719.db2.gz RRIDHNLSPJJTLI-AWEZNQCLSA-N 0 0 328.412 3.224 20 10 EGCDRN CCOC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000920890011 1322231315 /nfs/dbraw/zinc/23/13/15/1322231315.db2.gz SXRPZJRLYOEYBW-UHFFFAOYSA-N 0 0 342.439 3.428 20 10 EGCDRN CCn1cc(CNCc2ccc(N(C)Cc3cccs3)cc2)nn1 ZINC000850366702 1322235094 /nfs/dbraw/zinc/23/50/94/1322235094.db2.gz JNJVVBKHQSKRGY-UHFFFAOYSA-N 0 0 341.484 3.286 20 10 EGCDRN CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000921060947 1322250699 /nfs/dbraw/zinc/25/06/99/1322250699.db2.gz GCDJWCRNEAFAQW-GOEBONIOSA-N 0 0 334.460 3.225 20 10 EGCDRN C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccc(F)cc1[O-] ZINC000850574549 1322270583 /nfs/dbraw/zinc/27/05/83/1322270583.db2.gz GBSVLNIXIPYULS-ZDUSSCGKSA-N 0 0 343.402 3.302 20 10 EGCDRN Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3ccc4c(c3)CCCO4)n2)c1 ZINC000922072262 1322448327 /nfs/dbraw/zinc/44/83/27/1322448327.db2.gz GFKYYVSFICLJNA-CQSZACIVSA-N 0 0 349.438 3.351 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3[C@H](C)CCC3(C)C)C2)cc1 ZINC000922950124 1322657525 /nfs/dbraw/zinc/65/75/25/1322657525.db2.gz CQTIBWKWWIRHQC-CVEARBPZSA-N 0 0 345.487 3.494 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)N3[C@@H](C)CCC3(C)C)C2)cc1 ZINC000922950127 1322657606 /nfs/dbraw/zinc/65/76/06/1322657606.db2.gz CQTIBWKWWIRHQC-JKSUJKDBSA-N 0 0 345.487 3.494 20 10 EGCDRN Cc1c(N)cccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000859727897 1329064891 /nfs/dbraw/zinc/06/48/91/1329064891.db2.gz UASXMNPEUKZAFM-UHFFFAOYSA-N 0 0 325.412 3.483 20 10 EGCDRN Cc1cc(C(=O)CN2CCn3cncc3C2)c(C)n1-c1ccc(C)cc1 ZINC000852060435 1323140088 /nfs/dbraw/zinc/14/00/88/1323140088.db2.gz FJUUTUPSTDYVKH-UHFFFAOYSA-N 0 0 348.450 3.298 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCc1ccoc1 ZINC000852385273 1323186266 /nfs/dbraw/zinc/18/62/66/1323186266.db2.gz MXLDGOQABIHPNH-HNNXBMFYSA-N 0 0 329.444 3.127 20 10 EGCDRN C[C@@H]1C[C@H](NCc2ccc(N3CCC(C)CC3)cc2)c2ncnn21 ZINC000925008327 1323243225 /nfs/dbraw/zinc/24/32/25/1323243225.db2.gz ZROCHVDJWOBGNI-QAPCUYQASA-N 0 0 325.460 3.310 20 10 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ZINC000123499733 1293445620 /nfs/dbraw/zinc/44/56/20/1293445620.db2.gz SBPPIJUGJRGZAL-CYBMUJFWSA-N 0 0 346.456 3.171 20 10 EGCDRN Cc1csc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000123491611 1293445798 /nfs/dbraw/zinc/44/57/98/1293445798.db2.gz ZXLPLSUOQSFDIU-ZDUSSCGKSA-N 0 0 346.456 3.171 20 10 EGCDRN CN(c1ccc(CNC(=O)C(=O)c2ccc[nH]2)cc1)C1CCCCC1 ZINC000836189081 1293456929 /nfs/dbraw/zinc/45/69/29/1293456929.db2.gz JEPSFMAUFAFFGA-UHFFFAOYSA-N 0 0 339.439 3.283 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](OC)[C@H](C)C2)cc1 ZINC000836242866 1293466630 /nfs/dbraw/zinc/46/66/30/1293466630.db2.gz RNQLUEJGAGOZGC-CRAIPNDOSA-N 0 0 333.476 3.099 20 10 EGCDRN CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000836243800 1293466877 /nfs/dbraw/zinc/46/68/77/1293466877.db2.gz IBPJKTMISBDZES-RTBURBONSA-N 0 0 345.487 3.434 20 10 EGCDRN Cc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000125064682 1293493999 /nfs/dbraw/zinc/49/39/99/1293493999.db2.gz LBYNAMLWUFGJRK-UHFFFAOYSA-N 0 0 342.468 3.265 20 10 EGCDRN Cn1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000125499212 1293508659 /nfs/dbraw/zinc/50/86/59/1293508659.db2.gz YUNRFXZQKZWZRH-KRWDZBQOSA-N 0 0 333.863 3.138 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)c1ccco1 ZINC000125593923 1293511610 /nfs/dbraw/zinc/51/16/10/1293511610.db2.gz QLEBDEWITOCHQU-AWEZNQCLSA-N 0 0 330.409 3.212 20 10 EGCDRN C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000126404320 1293533721 /nfs/dbraw/zinc/53/37/21/1293533721.db2.gz RICGFNKRXMRGFA-IKGGRYGDSA-N 0 0 345.487 3.272 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1CCSCC1 ZINC000126995505 1293549992 /nfs/dbraw/zinc/54/99/92/1293549992.db2.gz PUVLBAJAVZFJMR-UHFFFAOYSA-N 0 0 348.512 3.015 20 10 EGCDRN C[C@H](NCc1nccs1)c1ccc(N2CCOCC2)cc1Cl ZINC000128141222 1293584102 /nfs/dbraw/zinc/58/41/02/1293584102.db2.gz YCNHXIAFARPYOE-LBPRGKRZSA-N 0 0 337.876 3.484 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000128245627 1293587292 /nfs/dbraw/zinc/58/72/92/1293587292.db2.gz CYQRMAFDFAGGQL-HOCLYGCPSA-N 0 0 332.469 3.389 20 10 EGCDRN CCC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000128498398 1293595410 /nfs/dbraw/zinc/59/54/10/1293595410.db2.gz MXTJPMPHIQFJJO-GOSISDBHSA-N 0 0 345.487 3.245 20 10 EGCDRN Cc1cc(C(=O)N(C[C@H]2CCOC2)C2CC2)c(C)n1-c1ccccn1 ZINC000128634029 1293600057 /nfs/dbraw/zinc/60/00/57/1293600057.db2.gz IQVXUAGZSYNRBU-MRXNPFEDSA-N 0 0 339.439 3.130 20 10 EGCDRN CC(C)Oc1cncc(C(=O)NCCCSc2nccs2)c1 ZINC000129550277 1293627024 /nfs/dbraw/zinc/62/70/24/1293627024.db2.gz YBNBIRGYHPOGPI-UHFFFAOYSA-N 0 0 337.470 3.238 20 10 EGCDRN C[C@H](NC(=O)N1[C@H](C)CC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000129884767 1293637609 /nfs/dbraw/zinc/63/76/09/1293637609.db2.gz CXOKVDDKULCDJO-OAGGEKHMSA-N 0 0 331.460 3.167 20 10 EGCDRN CN(C)c1ccc(CNC(=O)c2cccc3c2CCCN3)cc1F ZINC000130585598 1293662349 /nfs/dbraw/zinc/66/23/49/1293662349.db2.gz HGYGLCISANQPDS-UHFFFAOYSA-N 0 0 327.403 3.180 20 10 EGCDRN COc1ccc(N(C)CC(=O)NCc2ccc(Cl)cc2)c(OC)c1 ZINC000131991099 1293705678 /nfs/dbraw/zinc/70/56/78/1293705678.db2.gz GXMKUQVQDPOMAA-UHFFFAOYSA-N 0 0 348.830 3.110 20 10 EGCDRN COc1ccc(N(C)CC(=O)N(C)Cc2ccccc2C)c(OC)c1 ZINC000132116410 1293710101 /nfs/dbraw/zinc/71/01/01/1293710101.db2.gz WQERXWSXBLMIIE-UHFFFAOYSA-N 0 0 342.439 3.107 20 10 EGCDRN CC[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCCO1 ZINC000133115790 1293737255 /nfs/dbraw/zinc/73/72/55/1293737255.db2.gz HFVOKGAGWPHHFC-SJLPKXTDSA-N 0 0 332.444 3.028 20 10 EGCDRN COC1CCC(CC(=O)NCCCSc2nccs2)CC1 ZINC000134576279 1293777299 /nfs/dbraw/zinc/77/72/99/1293777299.db2.gz FGJKBKQTUSFMLG-UHFFFAOYSA-N 0 0 328.503 3.337 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(N(C)C)c(F)c2)cc1 ZINC000144239671 1293865227 /nfs/dbraw/zinc/86/52/27/1293865227.db2.gz WRCIZELLECPVDS-UHFFFAOYSA-N 0 0 329.419 3.230 20 10 EGCDRN C[C@@H](NC(=O)c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000145556502 1293870648 /nfs/dbraw/zinc/87/06/48/1293870648.db2.gz QFEOSOUELDUYRI-CYBMUJFWSA-N 0 0 346.377 3.292 20 10 EGCDRN Cc1cc(NS(=O)(=O)c2ccccc2Br)ccc1O ZINC000148621774 1293884087 /nfs/dbraw/zinc/88/40/87/1293884087.db2.gz FHICZJCICCESOK-UHFFFAOYSA-N 0 0 342.214 3.264 20 10 EGCDRN CS(=O)(=O)Nc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000149163009 1293885983 /nfs/dbraw/zinc/88/59/83/1293885983.db2.gz AQGUGZFHKNOJNL-UHFFFAOYSA-N 0 0 326.805 3.029 20 10 EGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000151665993 1293934091 /nfs/dbraw/zinc/93/40/91/1293934091.db2.gz RWCRCVACZFGKCZ-UHFFFAOYSA-N 0 0 335.411 3.464 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000151832374 1293940452 /nfs/dbraw/zinc/94/04/52/1293940452.db2.gz KFVZQJXHBWBEFU-UHFFFAOYSA-N 0 0 329.350 3.141 20 10 EGCDRN O=C(NCCCSc1nccs1)NCc1cc(F)ccc1F ZINC000153288798 1294007379 /nfs/dbraw/zinc/00/73/79/1294007379.db2.gz UPBSKGAXFMAKMM-UHFFFAOYSA-N 0 0 343.424 3.403 20 10 EGCDRN COc1cccc(CNC(=O)Nc2ccc(N(C)C)c(Cl)c2)c1O ZINC000153847549 1294030661 /nfs/dbraw/zinc/03/06/61/1294030661.db2.gz WAJSWXHRJPVDSP-UHFFFAOYSA-N 0 0 349.818 3.442 20 10 EGCDRN CCc1ccccc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000154230748 1294047552 /nfs/dbraw/zinc/04/75/52/1294047552.db2.gz ATIJSSVKOPBXGY-UHFFFAOYSA-N 0 0 342.414 3.359 20 10 EGCDRN O=C(CSCC(F)(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000154351960 1294052176 /nfs/dbraw/zinc/05/21/76/1294052176.db2.gz IQYUTKRGAOMXQB-UHFFFAOYSA-N 0 0 333.375 3.183 20 10 EGCDRN O=C(Cc1ccc(F)c(F)c1)NCCCSc1nccs1 ZINC000154564407 1294060129 /nfs/dbraw/zinc/06/01/29/1294060129.db2.gz UYKGECHUJWEFOO-UHFFFAOYSA-N 0 0 328.409 3.262 20 10 EGCDRN COc1cc(F)c(NC(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000155646806 1294108111 /nfs/dbraw/zinc/10/81/11/1294108111.db2.gz WTQMVOIHADNNBN-UHFFFAOYSA-N 0 0 335.354 3.361 20 10 EGCDRN Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000156358486 1294140339 /nfs/dbraw/zinc/14/03/39/1294140339.db2.gz RNTPZZDJZHMZIL-UHFFFAOYSA-N 0 0 342.760 3.063 20 10 EGCDRN CCc1ncsc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000156436109 1294144339 /nfs/dbraw/zinc/14/43/39/1294144339.db2.gz OLPMNZGVOUASST-UHFFFAOYSA-N 0 0 347.509 3.189 20 10 EGCDRN FC(F)Oc1ccc2c(c1)CCCN2CN1CCSC1=S ZINC000158827936 1294216825 /nfs/dbraw/zinc/21/68/25/1294216825.db2.gz QUPYAZKRYIDVKN-UHFFFAOYSA-N 0 0 330.425 3.332 20 10 EGCDRN Cc1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000159497895 1294238125 /nfs/dbraw/zinc/23/81/25/1294238125.db2.gz CQKZZZLAHNUCNO-UHFFFAOYSA-N 0 0 339.370 3.482 20 10 EGCDRN Cc1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000159652362 1294242811 /nfs/dbraw/zinc/24/28/11/1294242811.db2.gz OEFXFINGFOVWBT-UHFFFAOYSA-N 0 0 346.390 3.215 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(C2OCCO2)c1 ZINC000160080444 1294256983 /nfs/dbraw/zinc/25/69/83/1294256983.db2.gz RFEOMKCSKVUWDM-UHFFFAOYSA-N 0 0 340.423 3.036 20 10 EGCDRN CC(C)C[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000163193480 1294329441 /nfs/dbraw/zinc/32/94/41/1294329441.db2.gz CCGOTNJZZPHRKL-MRXNPFEDSA-N 0 0 333.476 3.099 20 10 EGCDRN CC(C)(C)c1cnc(SCCCn2cnc3c2ncnc3N)s1 ZINC000164233582 1294345301 /nfs/dbraw/zinc/34/53/01/1294345301.db2.gz CDFCDBZDSMKUPK-UHFFFAOYSA-N 0 0 348.501 3.345 20 10 EGCDRN COc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccccc1O ZINC000171926594 1294423014 /nfs/dbraw/zinc/42/30/14/1294423014.db2.gz VDRNGRFEGMUUFP-UHFFFAOYSA-N 0 0 334.803 3.125 20 10 EGCDRN COc1cc([C@@H]2Nc3c4ccccc4sc3C(=O)N2)cc(O)c1O ZINC000172860026 1294446903 /nfs/dbraw/zinc/44/69/03/1294446903.db2.gz XTUFLHVBZJYTIG-MRXNPFEDSA-N 0 0 342.376 3.175 20 10 EGCDRN O=C(NCCn1cccn1)N(Cc1ccccc1O)C1CCCCC1 ZINC000174951616 1294532253 /nfs/dbraw/zinc/53/22/53/1294532253.db2.gz ZBVQKPUIPYSCPN-UHFFFAOYSA-N 0 0 342.443 3.133 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)NCC3(C(C)C)CC3)CC2)cc1 ZINC000176033937 1294586587 /nfs/dbraw/zinc/58/65/87/1294586587.db2.gz HNIOHICGPZQRRE-UHFFFAOYSA-N 0 0 345.487 3.353 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cn(C)c(=O)cc2C)cc1 ZINC000177019891 1294648421 /nfs/dbraw/zinc/64/84/21/1294648421.db2.gz YZPHAAYYSFBTLQ-UHFFFAOYSA-N 0 0 335.407 3.354 20 10 EGCDRN COCCN(Cc1cn2ccccc2n1)c1ccc(OC)c(OC)c1 ZINC000177130434 1294655015 /nfs/dbraw/zinc/65/50/15/1294655015.db2.gz XPDOUDAZQHAXJM-UHFFFAOYSA-N 0 0 341.411 3.005 20 10 EGCDRN O=C1/C(=C\c2ccc3c(c2)CCO3)SC(=S)N1Cc1ccon1 ZINC000178018540 1294710947 /nfs/dbraw/zinc/71/09/47/1294710947.db2.gz YBRVLEPPJZYHSU-RIYZIHGNSA-N 0 0 344.417 3.011 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000178131582 1294717041 /nfs/dbraw/zinc/71/70/41/1294717041.db2.gz YSAWCFYKFSCAAL-UHFFFAOYSA-N 0 0 334.375 3.224 20 10 EGCDRN C[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000178567822 1294742898 /nfs/dbraw/zinc/74/28/98/1294742898.db2.gz YZSJWFOMJAXPKJ-LSDHHAIUSA-N 0 0 333.501 3.180 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000178640109 1294748599 /nfs/dbraw/zinc/74/85/99/1294748599.db2.gz KXVWZOVBHGHATB-CABCVRRESA-N 0 0 331.460 3.104 20 10 EGCDRN Cc1csc(C2(NC(=O)c3ccc(C)c(O)c3O)CCCC2)n1 ZINC000179495102 1294797808 /nfs/dbraw/zinc/79/78/08/1294797808.db2.gz NJQXEMYHYXAQTM-UHFFFAOYSA-N 0 0 332.425 3.370 20 10 EGCDRN COc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2O)c1O ZINC000180493046 1294893953 /nfs/dbraw/zinc/89/39/53/1294893953.db2.gz MLNUSSHILKISGH-UHFFFAOYSA-N 0 0 341.285 3.055 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCSCc1ccccc1F ZINC000180601613 1294901320 /nfs/dbraw/zinc/90/13/20/1294901320.db2.gz HUFZPYWGEGTAQN-SOFGYWHQSA-N 0 0 347.411 3.300 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000180603492 1294903001 /nfs/dbraw/zinc/90/30/01/1294903001.db2.gz VUJVUCOBBLRFBB-ONNFQVAWSA-N 0 0 327.355 3.441 20 10 EGCDRN CCN1CCN(Cc2cc(OC)c(OC)cc2O)c2ccccc21 ZINC000180750560 1294911849 /nfs/dbraw/zinc/91/18/49/1294911849.db2.gz QLWZTWKDOPHCBN-UHFFFAOYSA-N 0 0 328.412 3.256 20 10 EGCDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC000180869813 1294921456 /nfs/dbraw/zinc/92/14/56/1294921456.db2.gz NISMVXMPJFBLBC-CSKARUKUSA-N 0 0 349.390 3.160 20 10 EGCDRN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181216238 1294949865 /nfs/dbraw/zinc/94/98/65/1294949865.db2.gz JUQZJCARMCSDSS-WVDJOFFCSA-N 0 0 333.428 3.163 20 10 EGCDRN CC(=O)N1CC[C@@H](OC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000181787251 1294991521 /nfs/dbraw/zinc/99/15/21/1294991521.db2.gz WAGQNSURPVRXJS-QGZVFWFLSA-N 0 0 340.423 3.180 20 10 EGCDRN Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(F)cc2)c(O)c1O ZINC000182331218 1295035581 /nfs/dbraw/zinc/03/55/81/1295035581.db2.gz NBEVEMGYASTYEE-UHFFFAOYSA-N 0 0 341.342 3.042 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)N3C[C@H](C)OC[C@@H]3C)cc2)CC1 ZINC000182796448 1295075867 /nfs/dbraw/zinc/07/58/67/1295075867.db2.gz ROFNLSGKELJIPX-IRXDYDNUSA-N 0 0 345.487 3.242 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000183434639 1295118764 /nfs/dbraw/zinc/11/87/64/1295118764.db2.gz YFVMWJMHMYJKAM-LLVKDONJSA-N 0 0 342.370 3.008 20 10 EGCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CCC[C@@H]3C)CC2)cc1F ZINC000184759268 1295216769 /nfs/dbraw/zinc/21/67/69/1295216769.db2.gz AVUWVEMLUFAMOU-GJZGRUSLSA-N 0 0 334.435 3.309 20 10 EGCDRN C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(F)cc1[O-] ZINC000185533680 1295268838 /nfs/dbraw/zinc/26/88/38/1295268838.db2.gz IXUAXCLCMQQEFX-XHDPSFHLSA-N 0 0 338.423 3.485 20 10 EGCDRN C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(F)cc1[O-] ZINC000185533637 1295269548 /nfs/dbraw/zinc/26/95/48/1295269548.db2.gz IXUAXCLCMQQEFX-NHYWBVRUSA-N 0 0 338.423 3.485 20 10 EGCDRN COc1ccc(O)c([C@@H](C)Nc2ccn(CCc3ccncc3)n2)c1 ZINC000186334471 1295319863 /nfs/dbraw/zinc/31/98/63/1295319863.db2.gz YBAVESHHYIMKPW-CQSZACIVSA-N 0 0 338.411 3.408 20 10 EGCDRN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c(C)c1O ZINC000187062354 1295366155 /nfs/dbraw/zinc/36/61/55/1295366155.db2.gz QVDRALYEHXKEOG-UHFFFAOYSA-N 0 0 336.369 3.026 20 10 EGCDRN CC(=O)Nc1cccc(C(=O)NCCCSc2nccs2)c1C ZINC000188489126 1295462497 /nfs/dbraw/zinc/46/24/97/1295462497.db2.gz LFJRPEZPHUZVIO-UHFFFAOYSA-N 0 0 349.481 3.322 20 10 EGCDRN COCCc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000188957749 1295491876 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COc1ccc(N2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)cc1F ZINC000753741135 1300013983 /nfs/dbraw/zinc/01/39/83/1300013983.db2.gz CRQXHDCMYKEUPK-UHFFFAOYSA-N 0 0 334.435 3.165 20 10 EGCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1F ZINC000753799766 1300022322 /nfs/dbraw/zinc/02/23/22/1300022322.db2.gz SMNILJSKBROFBD-WMLDXEAASA-N 0 0 349.450 3.245 20 10 EGCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1F ZINC000753799765 1300022600 /nfs/dbraw/zinc/02/26/00/1300022600.db2.gz SMNILJSKBROFBD-RHSMWYFYSA-N 0 0 349.450 3.245 20 10 EGCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1F ZINC000753858076 1300030815 /nfs/dbraw/zinc/03/08/15/1300030815.db2.gz SCIYLIODXSHJMR-LSDHHAIUSA-N 0 0 349.450 3.245 20 10 EGCDRN O=S1(=O)CCN(Cc2c(O)ccc3ccccc32)[C@@H]2CCCC[C@H]21 ZINC000754011735 1300063623 /nfs/dbraw/zinc/06/36/23/1300063623.db2.gz KWOQIOMLLQCCCZ-IEBWSBKVSA-N 0 0 345.464 3.087 20 10 EGCDRN CCOC(=O)Cc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000878779113 1300187608 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EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCOc2ccccc2)c1 ZINC000756365182 1300476907 /nfs/dbraw/zinc/47/69/07/1300476907.db2.gz NRIPEMKXORRODK-AWEZNQCLSA-N 0 0 329.396 3.299 20 10 EGCDRN C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000756374019 1300479335 /nfs/dbraw/zinc/47/93/35/1300479335.db2.gz ZCNXITRYMZSSIO-ZDUSSCGKSA-N 0 0 332.394 3.379 20 10 EGCDRN C[C@@H](NC(=O)Nc1ccc(OC2COC2)cc1)c1ccccc1O ZINC000879313171 1300479773 /nfs/dbraw/zinc/47/97/73/1300479773.db2.gz HCFQVNLBEAPWQU-GFCCVEGCSA-N 0 0 328.368 3.053 20 10 EGCDRN C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756440697 1300492553 /nfs/dbraw/zinc/49/25/53/1300492553.db2.gz GEROLIBHEBYHSE-LRDDRELGSA-N 0 0 332.404 3.262 20 10 EGCDRN CCOc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000756454578 1300495798 /nfs/dbraw/zinc/49/57/98/1300495798.db2.gz CNVPHJRIAQWDKI-ZDUSSCGKSA-N 0 0 329.396 3.428 20 10 EGCDRN C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756462674 1300497828 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329.444 3.469 20 10 EGCDRN CCc1csc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000756961036 1300599384 /nfs/dbraw/zinc/59/93/84/1300599384.db2.gz DKWMOEBYPDPCPR-CQSZACIVSA-N 0 0 344.484 3.019 20 10 EGCDRN CCc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1CC ZINC000756965710 1300599473 /nfs/dbraw/zinc/59/94/73/1300599473.db2.gz GXERYDBRYHHOBL-UHFFFAOYSA-N 0 0 333.453 3.338 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCCO[C@@H]2CCOC2)cc1 ZINC000756988458 1300604883 /nfs/dbraw/zinc/60/48/83/1300604883.db2.gz BQHNWDOJWRMUID-LJQANCHMSA-N 0 0 342.439 3.020 20 10 EGCDRN CC[C@@H]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)O1 ZINC000757388952 1300668941 /nfs/dbraw/zinc/66/89/41/1300668941.db2.gz QAIHTNVOFONHTO-CRAIPNDOSA-N 0 0 329.396 3.472 20 10 EGCDRN COc1ccc(OCCOc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000757718069 1300720085 /nfs/dbraw/zinc/72/00/85/1300720085.db2.gz NPPPYJPYBLZUHN-UHFFFAOYSA-N 0 0 332.356 3.127 20 10 EGCDRN COC(=O)c1cc(NC(=O)NCc2cc(C)ccc2O)c(C)s1 ZINC000879855943 1300767093 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CCC(CC)n1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000759596321 1301124602 /nfs/dbraw/zinc/12/46/02/1301124602.db2.gz UMDHVASCEBNMRM-SOFGYWHQSA-N 0 0 330.384 3.412 20 10 EGCDRN Cc1cc(C(=O)NC[C@@H](O)C2CC2)c(C)n1-c1cccc(Cl)c1 ZINC000759640793 1301135225 /nfs/dbraw/zinc/13/52/25/1301135225.db2.gz OJHDCLDPWCTOGN-QGZVFWFLSA-N 0 0 332.831 3.248 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC34CCC4)cc2F)C[C@@H](C)O1 ZINC000759717440 1301147808 /nfs/dbraw/zinc/14/78/08/1301147808.db2.gz HIUGPVZFDUQZED-IIAWOOMASA-N 0 0 346.446 3.246 20 10 EGCDRN CC(=O)c1cc(F)cc(CN2CCc3c2cccc3[N+](=O)[O-])c1O ZINC000759847094 1301175674 /nfs/dbraw/zinc/17/56/74/1301175674.db2.gz DESRGHMIKKASEA-UHFFFAOYSA-N 0 0 330.315 3.205 20 10 EGCDRN CN(C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCNC1=O ZINC000759889564 1301183825 /nfs/dbraw/zinc/18/38/25/1301183825.db2.gz IGFCAAUYNPSXER-INIZCTEOSA-N 0 0 337.383 3.454 20 10 EGCDRN CC[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C[C@@H]1O ZINC000760975745 1301374021 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ZINC000844353222 1321592794 /nfs/dbraw/zinc/59/27/94/1321592794.db2.gz RFARARBSHIGNBK-UHFFFAOYSA-N 0 0 328.412 3.224 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000844778752 1321645922 /nfs/dbraw/zinc/64/59/22/1321645922.db2.gz QJESOKBIDFDIAA-UHFFFAOYSA-N 0 0 345.418 3.112 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C\c2cncc(C)c2)cc1 ZINC000844855589 1321651193 /nfs/dbraw/zinc/65/11/93/1321651193.db2.gz ZLGYCJNGWJHOLI-YHYXMXQVSA-N 0 0 339.439 3.007 20 10 EGCDRN CC(C)Oc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000844882471 1321653832 /nfs/dbraw/zinc/65/38/32/1321653832.db2.gz PDWGSDNHLHKWEO-UHFFFAOYSA-N 0 0 349.818 3.227 20 10 EGCDRN CC1(C)[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]2CCCO[C@@H]21 ZINC000845015072 1321668133 /nfs/dbraw/zinc/66/81/33/1321668133.db2.gz ZSKIGURABRVPAK-CFVMTHIKSA-N 0 0 338.835 3.048 20 10 EGCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)C12CCC2 ZINC000845013516 1321668256 /nfs/dbraw/zinc/66/82/56/1321668256.db2.gz DZRLELXOZBQYPW-LSDHHAIUSA-N 0 0 338.835 3.193 20 10 EGCDRN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000846206646 1321776346 /nfs/dbraw/zinc/77/63/46/1321776346.db2.gz RPTLIQNMCVQZPZ-NXEZZACHSA-N 0 0 343.254 3.361 20 10 EGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000846473655 1321787429 /nfs/dbraw/zinc/78/74/29/1321787429.db2.gz NTKNKSZJHLIPJG-MRXNPFEDSA-N 0 0 347.798 3.143 20 10 EGCDRN CCOCCC1(CNC(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000846712301 1321802918 /nfs/dbraw/zinc/80/29/18/1321802918.db2.gz URXJRJKJZULFSF-UHFFFAOYSA-N 0 0 340.851 3.442 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3ccc(C)s3)CC2)c(OC)c1 ZINC000846748176 1321804169 /nfs/dbraw/zinc/80/41/69/1321804169.db2.gz IVBVFCDFJXVPKH-UHFFFAOYSA-N 0 0 346.452 3.036 20 10 EGCDRN CCOc1ccc(N(C)Cc2ccc(OCC(F)(F)F)nn2)cc1 ZINC000846808150 1321810308 /nfs/dbraw/zinc/81/03/08/1321810308.db2.gz WHUXXPBQWLTQQU-UHFFFAOYSA-N 0 0 341.333 3.453 20 10 EGCDRN C/C(=C\c1ccco1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846835553 1321814917 /nfs/dbraw/zinc/81/49/17/1321814917.db2.gz 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1322039888 /nfs/dbraw/zinc/03/98/88/1322039888.db2.gz RHSIVIFNZGDPIA-INIZCTEOSA-N 0 0 335.350 3.237 20 10 EGCDRN COC(=O)/C=C/c1ccc(CN(C)c2ccc(OC)c(OC)c2)o1 ZINC000848903438 1322040724 /nfs/dbraw/zinc/04/07/24/1322040724.db2.gz SQWJZYBUVGJTCR-CSKARUKUSA-N 0 0 331.368 3.119 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(C(C)=O)cn2C)cc1 ZINC000849194065 1322096683 /nfs/dbraw/zinc/09/66/83/1322096683.db2.gz XUKFGTVJZFKKFQ-UHFFFAOYSA-N 0 0 341.455 3.346 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCCCO2)cc1 ZINC000920344181 1322166196 /nfs/dbraw/zinc/16/61/96/1322166196.db2.gz PABWAAIIUIGVAK-GOSISDBHSA-N 0 0 333.476 3.243 20 10 EGCDRN COc1ccc(N(C)Cc2cncc(Br)c2)cc1OC ZINC000920418590 1322175153 /nfs/dbraw/zinc/17/51/53/1322175153.db2.gz PQOHCPJAUCAHMY-UHFFFAOYSA-N 0 0 337.217 3.498 20 10 EGCDRN CN(C)S(=O)(=O)c1ccc(CSc2ncc(Cl)s2)cc1 ZINC000849999859 1322178469 /nfs/dbraw/zinc/17/84/69/1322178469.db2.gz AJCSEWVKJBMEEP-UHFFFAOYSA-N 0 0 348.902 3.339 20 10 EGCDRN CC(C)[C@@H](Sc1ncc(Cl)s1)C(=O)NC[C@@H]1CCCO1 ZINC000849998405 1322178710 /nfs/dbraw/zinc/17/87/10/1322178710.db2.gz FQSMAQVCRRZVAG-GXSJLCMTSA-N 0 0 334.894 3.208 20 10 EGCDRN COc1cc(CNCc2ncnn2C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850284775 1322222121 /nfs/dbraw/zinc/22/21/21/1322222121.db2.gz PCRPVUWIFQSYLB-UHFFFAOYSA-N 0 0 346.475 3.335 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1 ZINC000921005827 1322244230 /nfs/dbraw/zinc/24/42/30/1322244230.db2.gz HZECTAHOWOPVRO-APWZRJJASA-N 0 0 348.487 3.075 20 10 EGCDRN O=C(NCCCSc1nccs1)N[C@H](c1ccccn1)C1CC1 ZINC000921446262 1322316889 /nfs/dbraw/zinc/31/68/89/1322316889.db2.gz DQVSPPSNQBIUNC-AWEZNQCLSA-N 0 0 348.497 3.471 20 10 EGCDRN Cn1c2ccc(OC(=O)c3cnc4n3CCC4)cc2c2c1CCCC2 ZINC000851106284 1322335013 /nfs/dbraw/zinc/33/50/13/1322335013.db2.gz ZTPZPCAAWDHKIM-UHFFFAOYSA-N 0 0 335.407 3.419 20 10 EGCDRN CCOCc1cc(CNCc2cc(C3CC3)n(C)n2)ccc1OC ZINC000922956082 1322660575 /nfs/dbraw/zinc/66/05/75/1322660575.db2.gz 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Cc1cc(C(=O)CN(C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC000859970778 1329120979 /nfs/dbraw/zinc/12/09/79/1329120979.db2.gz ZCALMHPWXBQHPC-IZAXUBKRSA-N 0 0 340.467 3.288 20 10 EGCDRN C[C@H]1c2ccccc2OCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000853244893 1325071902 /nfs/dbraw/zinc/07/19/02/1325071902.db2.gz QVFLGMCLLLVDGT-HNNXBMFYSA-N 0 0 339.439 3.418 20 10 EGCDRN Cc1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1 ZINC000853252967 1325072434 /nfs/dbraw/zinc/07/24/34/1325072434.db2.gz WNHAEOQTDVQSOX-UHFFFAOYSA-N 0 0 334.370 3.467 20 10 EGCDRN CCN(CC)c1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1F ZINC000853302542 1325078098 /nfs/dbraw/zinc/07/80/98/1325078098.db2.gz CVTWCAHYNPKTIL-UHFFFAOYSA-N 0 0 334.351 3.293 20 10 EGCDRN c1csc(SCCCNc2nc(C3CCOCC3)ns2)n1 ZINC000853326841 1325081689 /nfs/dbraw/zinc/08/16/89/1325081689.db2.gz PZRZQGFTLHFYMD-UHFFFAOYSA-N 0 0 342.515 3.483 20 10 EGCDRN CC(C)(C)c1nccc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853956043 1325192703 /nfs/dbraw/zinc/19/27/03/1325192703.db2.gz PKCBSCHEIMXEOC-UHFFFAOYSA-N 0 0 340.471 3.347 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3oc(SC)cc3C)CC2)cc1 ZINC000854198112 1325226589 /nfs/dbraw/zinc/22/65/89/1325226589.db2.gz DKAYRLZMCBNEFH-UHFFFAOYSA-N 0 0 346.452 3.281 20 10 EGCDRN CCc1ccc(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000854947602 1325326822 /nfs/dbraw/zinc/32/68/22/1325326822.db2.gz BJVHTVIADWHKCG-MRXNPFEDSA-N 0 0 339.483 3.308 20 10 EGCDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000855009373 1325334615 /nfs/dbraw/zinc/33/46/15/1325334615.db2.gz RQSJDGKQRGNTKM-GFCCVEGCSA-N 0 0 342.395 3.187 20 10 EGCDRN CC(C)(CO)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC000855111381 1325345676 /nfs/dbraw/zinc/34/56/76/1325345676.db2.gz KVAKAKUHXZIAOD-JKNJVXJCSA-N 0 0 347.436 3.049 20 10 EGCDRN Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)CO)c(C)n1-c1ccccn1 ZINC000855465306 1325385937 /nfs/dbraw/zinc/38/59/37/1325385937.db2.gz XWGVMEIQWXXDAY-KSSFIOAISA-N 0 0 341.455 3.112 20 10 EGCDRN CCC(CC)[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 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455470362 /nfs/dbraw/zinc/47/03/62/455470362.db2.gz PAHXMXXRONCXSL-PBHICJAKSA-N 0 0 348.418 3.157 20 10 EGCDRN Cc1nc(CCCC(=O)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000175941038 455518102 /nfs/dbraw/zinc/51/81/02/455518102.db2.gz GTNDIEYQKRGGEH-UHFFFAOYSA-N 0 0 335.448 3.296 20 10 EGCDRN CC(C)C1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000176031204 455530790 /nfs/dbraw/zinc/53/07/90/455530790.db2.gz SINXZZLNINDZPK-UHFFFAOYSA-N 0 0 345.487 3.101 20 10 EGCDRN CCn1nc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1C1CC1 ZINC000267477482 455552229 /nfs/dbraw/zinc/55/22/29/455552229.db2.gz RARZWTAZFUWWDA-UHFFFAOYSA-N 0 0 345.422 3.307 20 10 EGCDRN CC1CC(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000267877358 455559038 /nfs/dbraw/zinc/55/90/38/455559038.db2.gz ROCVRWWHHIMDCF-MHXRYWECSA-N 0 0 349.450 3.037 20 10 EGCDRN C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1[O-] ZINC000185464208 455561287 /nfs/dbraw/zinc/56/12/87/455561287.db2.gz JSLQEXISDVGNFF-DOMZBBRYSA-N 0 0 328.387 3.267 20 10 EGCDRN C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(F)cc1[O-] ZINC000185498528 455568703 /nfs/dbraw/zinc/56/87/03/455568703.db2.gz FHQQVNBPMIAZLI-SECBINFHSA-N 0 0 344.312 3.103 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](CCO)CC(C)C ZINC000268037543 455583064 /nfs/dbraw/zinc/58/30/64/455583064.db2.gz XAFJLVPWAULVMG-SFHVURJKSA-N 0 0 349.519 3.329 20 10 EGCDRN NC(=O)c1ccc(CN(Cc2c(O)cccc2Cl)C2CC2)c(F)c1 ZINC000292220382 455599145 /nfs/dbraw/zinc/59/91/45/455599145.db2.gz ACHMTVOJZJSGHT-UHFFFAOYSA-N 0 0 348.805 3.448 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccoc1Cl ZINC000192394063 455606269 /nfs/dbraw/zinc/60/62/69/455606269.db2.gz VLTSXUBYXYUIHZ-UHFFFAOYSA-N 0 0 334.803 3.042 20 10 EGCDRN C[C@H]1CN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000277629656 455617866 /nfs/dbraw/zinc/61/78/66/455617866.db2.gz CDSFNMRVONKOQK-LBPRGKRZSA-N 0 0 347.286 3.290 20 10 EGCDRN CCC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCC1 ZINC000268229552 455625722 /nfs/dbraw/zinc/62/57/22/455625722.db2.gz 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C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F ZINC000288740744 456104589 /nfs/dbraw/zinc/10/45/89/456104589.db2.gz GGJWUWXWDDPBQT-LLVKDONJSA-N 0 0 329.366 3.377 20 10 EGCDRN OCC1CCN(c2ccc(CNc3nc(C4CC4)ns3)cc2)CC1 ZINC000301446951 456117347 /nfs/dbraw/zinc/11/73/47/456117347.db2.gz QKEQPWXWGUKUEI-UHFFFAOYSA-N 0 0 344.484 3.236 20 10 EGCDRN Cc1ncsc1CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000297118162 456123638 /nfs/dbraw/zinc/12/36/38/456123638.db2.gz NGSLEOVKZKIJFN-UHFFFAOYSA-N 0 0 345.468 3.078 20 10 EGCDRN COc1cc(O)c(CNCc2c(F)cc(F)c(F)c2F)cc1OC ZINC000281083792 456129853 /nfs/dbraw/zinc/12/98/53/456129853.db2.gz JNHYVFBQKGEBDP-UHFFFAOYSA-N 0 0 345.292 3.256 20 10 EGCDRN COc1cccc(CNC(=O)NC[C@@H](c2ccccc2)C2CC2)c1O ZINC000297184405 456142984 /nfs/dbraw/zinc/14/29/84/456142984.db2.gz BYNUGXAZLGIARI-KRWDZBQOSA-N 0 0 340.423 3.394 20 10 EGCDRN CCC1(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000297261349 456165511 /nfs/dbraw/zinc/16/55/11/456165511.db2.gz FDCSWHSTFALNSO-KBPBESRZSA-N 0 0 349.450 3.181 20 10 EGCDRN CC(C)n1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000281210042 456166445 /nfs/dbraw/zinc/16/64/45/456166445.db2.gz KVQCNPFTNSEWNS-UHFFFAOYSA-N 0 0 326.444 3.335 20 10 EGCDRN CCOCCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCCC1 ZINC000188907506 456167752 /nfs/dbraw/zinc/16/77/52/456167752.db2.gz FYVBNQUMIOMTFH-UHFFFAOYSA-N 0 0 346.471 3.465 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000297289707 456174367 /nfs/dbraw/zinc/17/43/67/456174367.db2.gz HGNDNMQXIPQTST-SFHVURJKSA-N 0 0 347.503 3.225 20 10 EGCDRN CN(CCCCNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000263707112 456197807 /nfs/dbraw/zinc/19/78/07/456197807.db2.gz JONMHUTUBOVLCT-UHFFFAOYSA-N 0 0 327.428 3.108 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@]2(C)CCCO)c(C)n1-c1ccccn1 ZINC000271265611 456198465 /nfs/dbraw/zinc/19/84/65/456198465.db2.gz HOEKRVHABORSLI-HXUWFJFHSA-N 0 0 341.455 3.256 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000273197839 456210189 /nfs/dbraw/zinc/21/01/89/456210189.db2.gz QWYNSINHSJIXOJ-RLCCDNCMSA-N 0 0 329.371 3.088 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccccc2)c1 ZINC000273356804 456225715 /nfs/dbraw/zinc/22/57/15/456225715.db2.gz CTDLXDHLLCXFEE-NJSLBKSFSA-N 0 0 343.423 3.342 20 10 EGCDRN CC(=O)N(C)CCc1noc(-c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000273739681 456243319 /nfs/dbraw/zinc/24/33/19/456243319.db2.gz AYZFAOFPFVBQGU-UHFFFAOYSA-N 0 0 338.411 3.165 20 10 EGCDRN COC(=O)c1ccc(OC(C)C)c(NC(=O)Cc2ccc(N)cc2)c1 ZINC000237246223 456253768 /nfs/dbraw/zinc/25/37/68/456253768.db2.gz CABATEGNAPLRAZ-UHFFFAOYSA-N 0 0 342.395 3.024 20 10 EGCDRN Brc1ccnc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000274638783 456263778 /nfs/dbraw/zinc/26/37/78/456263778.db2.gz DUYUENALBDYMBP-UHFFFAOYSA-N 0 0 348.244 3.293 20 10 EGCDRN CCCCn1nc(C)c(/C=C/C(=O)N(C)c2ccn(C)n2)c1Cl ZINC000274800782 456265693 /nfs/dbraw/zinc/26/56/93/456265693.db2.gz OVHCVOHKCOMKDG-BQYQJAHWSA-N 0 0 335.839 3.055 20 10 EGCDRN CCC(CC)n1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000274914929 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CAGGDWZXYVSXRE-UHFFFAOYSA-N 0 0 345.374 3.491 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756339757 1300470287 /nfs/dbraw/zinc/47/02/87/1300470287.db2.gz CLWQQNUYFLTDIM-PXAZEXFGSA-N 0 0 347.390 3.393 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2cc(C)ccc2OC)c1 ZINC000756357543 1300474208 /nfs/dbraw/zinc/47/42/08/1300474208.db2.gz DDDWKALHUAZCBR-CQSZACIVSA-N 0 0 343.423 3.389 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Br)cc(F)c1[O-] ZINC000756433914 1300490387 /nfs/dbraw/zinc/49/03/87/1300490387.db2.gz RDPWXHZOWPLJJC-OTYXRUKQSA-N 0 0 345.256 3.285 20 10 EGCDRN C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756510654 1300511524 /nfs/dbraw/zinc/51/15/24/1300511524.db2.gz RJNLLAROWZEWBG-LBPRGKRZSA-N 0 0 326.387 3.114 20 10 EGCDRN C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Br)cc(F)c1[O-] ZINC000756568463 1300522707 /nfs/dbraw/zinc/52/27/07/1300522707.db2.gz FPOYZGUPPBOTLK-RTHLEPHNSA-N 0 0 332.213 3.105 20 10 EGCDRN C[C@H]([NH2+]CC1(O)CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756564152 1300522774 /nfs/dbraw/zinc/52/27/74/1300522774.db2.gz QKRHVESREMTZQS-QMMMGPOBSA-N 0 0 334.641 3.374 20 10 EGCDRN C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Br)cc(F)c1[O-] ZINC000756568464 1300522780 /nfs/dbraw/zinc/52/27/80/1300522780.db2.gz FPOYZGUPPBOTLK-XLKFXECMSA-N 0 0 332.213 3.105 20 10 EGCDRN C[C@H]([NH2+]CC1(C)COC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756571732 1300524612 /nfs/dbraw/zinc/52/46/12/1300524612.db2.gz DOOGDNKTNGRRCR-QMMMGPOBSA-N 0 0 334.641 3.495 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756658544 1300543906 /nfs/dbraw/zinc/54/39/06/1300543906.db2.gz KTEFXGMFNBBZKC-RISCZKNCSA-N 0 0 338.398 3.112 20 10 EGCDRN CC[C@H](O)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756734779 1300556590 /nfs/dbraw/zinc/55/65/90/1300556590.db2.gz ZGJBEIGQCVKION-ONGXEEELSA-N 0 0 334.229 3.496 20 10 EGCDRN C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756761003 1300560797 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ZINC000840713739 1321132812 /nfs/dbraw/zinc/13/28/12/1321132812.db2.gz QSUACSQBKCAFDW-CYBMUJFWSA-N 0 0 345.468 3.381 20 10 EGCDRN Cc1nn(C(C)C)cc1/C=C1\c2cc([N+](=O)[O-])ccc2N(C)C1=O ZINC000840722136 1321135098 /nfs/dbraw/zinc/13/50/98/1321135098.db2.gz FSIORMPRPIXPIN-VIZOYTHASA-N 0 0 326.356 3.198 20 10 EGCDRN CCn1nc(C)c(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)n1 ZINC000840732116 1321137334 /nfs/dbraw/zinc/13/73/34/1321137334.db2.gz UDIHBTHFCMBTMW-ZROIWOOFSA-N 0 0 344.465 3.321 20 10 EGCDRN Cc1ccc(CNC(=S)Nc2ccc3c(c2)OCCCO3)nc1C ZINC000840844124 1321161969 /nfs/dbraw/zinc/16/19/69/1321161969.db2.gz OYJOHHNEAWMRFC-UHFFFAOYSA-N 0 0 343.452 3.346 20 10 EGCDRN CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc(Cl)c1[O-] ZINC000840889376 1321171330 /nfs/dbraw/zinc/17/13/30/1321171330.db2.gz FVVDQVJLIFSCLV-AWEZNQCLSA-N 0 0 345.892 3.301 20 10 EGCDRN Cc1cc(N(C)C)ccc1CN(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000840917189 1321177318 /nfs/dbraw/zinc/17/73/18/1321177318.db2.gz HTJJOQHZVBMGGS-UHFFFAOYSA-N 0 0 346.496 3.097 20 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CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])N1CCOCC1 ZINC000841743457 1321305542 /nfs/dbraw/zinc/30/55/42/1321305542.db2.gz GXLMHDGGZANYNC-BBRMVZONSA-N 0 0 326.868 3.053 20 10 EGCDRN C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841748682 1321306987 /nfs/dbraw/zinc/30/69/87/1321306987.db2.gz YCJVUOWUGOHDAV-CYBMUJFWSA-N 0 0 332.831 3.403 20 10 EGCDRN C[C@H]([NH2+]CC1(N(C)C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000841761570 1321308556 /nfs/dbraw/zinc/30/85/56/1321308556.db2.gz GZKZUBJZRLNUFJ-VIFPVBQESA-N 0 0 331.229 3.039 20 10 EGCDRN CCc1cccc2c1OCC[C@H]2NC(=O)NCCc1ccc(N)cc1 ZINC000841775030 1321311590 /nfs/dbraw/zinc/31/15/90/1321311590.db2.gz RJIBWJFDAKSSAN-GOSISDBHSA-N 0 0 339.439 3.197 20 10 EGCDRN COc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)C(=O)[O-])cc1C ZINC000841792760 1321312684 /nfs/dbraw/zinc/31/26/84/1321312684.db2.gz FAWYMWVUNQYEJH-SFHVURJKSA-N 0 0 327.424 3.427 20 10 EGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC000841812325 1321317286 /nfs/dbraw/zinc/31/72/86/1321317286.db2.gz OGLPGAIIJDSFAN-CYBMUJFWSA-N 0 0 332.366 3.276 20 10 EGCDRN COc1ccc([C@H](C)CCNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841835645 1321321072 /nfs/dbraw/zinc/32/10/72/1321321072.db2.gz CGLJRXIXJMGEOP-OAHLLOKOSA-N 0 0 341.455 3.313 20 10 EGCDRN Nc1ccc(CCNC(=O)NC[C@H]2SCCc3ccccc32)cc1 ZINC000841853250 1321323457 /nfs/dbraw/zinc/32/34/57/1321323457.db2.gz YWFXBYWRSOZFNX-GOSISDBHSA-N 0 0 341.480 3.141 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841893898 1321327805 /nfs/dbraw/zinc/32/78/05/1321327805.db2.gz LDCHWLXXBXEJOQ-SNVBAGLBSA-N 0 0 325.186 3.128 20 10 EGCDRN C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)c2ccccc2O1 ZINC000841908398 1321329333 /nfs/dbraw/zinc/32/93/33/1321329333.db2.gz OIRKDSLFKRFRTE-CXAGYDPISA-N 0 0 325.412 3.023 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CC[C@H](c3ccccc3F)C2)cc1 ZINC000841956095 1321331571 /nfs/dbraw/zinc/33/15/71/1321331571.db2.gz VEFCVMUZEAPUCT-HNNXBMFYSA-N 0 0 327.403 3.150 20 10 EGCDRN Cc1cc(C)n(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)n1 ZINC000842031737 1321337494 /nfs/dbraw/zinc/33/74/94/1321337494.db2.gz ZFBVISGHHOXVQS-UHFFFAOYSA-N 0 0 326.375 3.324 20 10 EGCDRN CS(=O)(=O)c1cccc(COc2ccc(N3CCCC3)cc2)c1 ZINC000842033942 1321338144 /nfs/dbraw/zinc/33/81/44/1321338144.db2.gz JCCWQWJDWGBFLP-UHFFFAOYSA-N 0 0 331.437 3.269 20 10 EGCDRN COC1(C(F)(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000842160175 1321355978 /nfs/dbraw/zinc/35/59/78/1321355978.db2.gz DOAKVPFVKAONTF-UHFFFAOYSA-N 0 0 349.324 3.277 20 10 EGCDRN O=C(NCCCSc1nccs1)N[C@H]1COCc2ccccc21 ZINC000842179213 1321358624 /nfs/dbraw/zinc/35/86/24/1321358624.db2.gz CODWRBLAWGIWRZ-AWEZNQCLSA-N 0 0 349.481 3.196 20 10 EGCDRN CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)NCc1cccs1 ZINC000842746776 1321427107 /nfs/dbraw/zinc/42/71/07/1321427107.db2.gz DXFLIVLKOPZYNI-MRXNPFEDSA-N 0 0 349.475 3.138 20 10 EGCDRN Cc1cccc2nc(CC[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])cn21 ZINC000842932473 1321450372 /nfs/dbraw/zinc/45/03/72/1321450372.db2.gz AZFFGAUQIQVHJV-ZDUSSCGKSA-N 0 0 340.383 3.150 20 10 EGCDRN Cn1c2ccc(OC(=O)[C@H]3CCc4n[nH]cc4C3)cc2c2c1CCCC2 ZINC000843020347 1321457771 /nfs/dbraw/zinc/45/77/71/1321457771.db2.gz GIVQULAANMPWAD-ZDUSSCGKSA-N 0 0 349.434 3.491 20 10 EGCDRN COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cccc(Cl)c1[O-] ZINC000843113438 1321472446 /nfs/dbraw/zinc/47/24/46/1321472446.db2.gz STODSWIXKYVUBX-MRXNPFEDSA-N 0 0 332.831 3.201 20 10 EGCDRN Nc1ccc(Cc2noc(-c3cnc([C@@H]4CCCO4)s3)n2)cc1 ZINC000843159918 1321480998 /nfs/dbraw/zinc/48/09/98/1321480998.db2.gz SSEOKNLCHRXHKJ-LBPRGKRZSA-N 0 0 328.397 3.218 20 10 EGCDRN Nc1ccc(Cc2nc(CCCOCCc3ccccc3)no2)cc1 ZINC000843186927 1321484222 /nfs/dbraw/zinc/48/42/22/1321484222.db2.gz GKXHWJBJZPCMCN-UHFFFAOYSA-N 0 0 337.423 3.435 20 10 EGCDRN Cc1cc(C(=O)NCCc2ccc(N)cc2)c(C)n1CC(F)(F)F ZINC000843343516 1321502565 /nfs/dbraw/zinc/50/25/65/1321502565.db2.gz XUMRKFBCHSJYNU-UHFFFAOYSA-N 0 0 339.361 3.222 20 10 EGCDRN CCOc1ccc(CN2CCc3cccc(C(=O)OC)c3C2)c(O)c1 ZINC000843430062 1321517370 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC[C@@H](C)CO ZINC000270599360 455992966 /nfs/dbraw/zinc/99/29/66/455992966.db2.gz ZHQDFTWUQRLSNC-MRXNPFEDSA-N 0 0 335.492 3.081 20 10 EGCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000272560312 455994837 /nfs/dbraw/zinc/99/48/37/455994837.db2.gz LSTBQBJFUMCJOU-JKSUJKDBSA-N 0 0 332.488 3.194 20 10 EGCDRN Cc1nnc([C@@H](C)NC(=O)c2sccc2-n2c(C)ccc2C)[nH]1 ZINC000286425480 456045338 /nfs/dbraw/zinc/04/53/38/456045338.db2.gz QDYHPUSBAKCCEN-LLVKDONJSA-N 0 0 329.429 3.073 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](C)c2nnc(C)[nH]2)c(C)n1-c1ccccc1C ZINC000286465717 456047166 /nfs/dbraw/zinc/04/71/66/456047166.db2.gz TUKUERNELLMKSM-ZDUSSCGKSA-N 0 0 337.427 3.320 20 10 EGCDRN CC[C@H](CNC(=O)Cc1ccc(N)cc1)Oc1ccccc1Cl ZINC000262639186 456049919 /nfs/dbraw/zinc/04/99/19/456049919.db2.gz ODVVTYBIZJELLA-OAHLLOKOSA-N 0 0 332.831 3.439 20 10 EGCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000272765173 456064239 /nfs/dbraw/zinc/06/42/39/456064239.db2.gz PWFQLUPDDNRBHX-MAUKXSAKSA-N 0 0 330.472 3.281 20 10 EGCDRN CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287225095 456064701 /nfs/dbraw/zinc/06/47/01/456064701.db2.gz XUYZJWVOJZNPOZ-DYQSUWPFSA-N 0 0 334.243 3.280 20 10 EGCDRN CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cccc(Cl)c1[O-] ZINC000287664546 456075216 /nfs/dbraw/zinc/07/52/16/456075216.db2.gz LVNLVXNORSYOSK-DOMZBBRYSA-N 0 0 341.835 3.008 20 10 EGCDRN CC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287764476 456077347 /nfs/dbraw/zinc/07/73/47/456077347.db2.gz RDLGGPKIHKRNOP-KGLIPLIRSA-N 0 0 344.242 3.207 20 10 EGCDRN CC[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000287868642 456080118 /nfs/dbraw/zinc/08/01/18/456080118.db2.gz XUIQTMCMDFEMEB-GFCCVEGCSA-N 0 0 341.242 3.478 20 10 EGCDRN CC1(C)CC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000288119410 456087838 /nfs/dbraw/zinc/08/78/38/456087838.db2.gz WGAUIRFNXFWSRA-WBVHZDCISA-N 0 0 332.444 3.271 20 10 EGCDRN C[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000288290886 456091524 /nfs/dbraw/zinc/09/15/24/456091524.db2.gz SXNMRFZBGCNVNU-LPHOPBHVSA-N 0 0 345.487 3.243 20 10 EGCDRN Oc1ccc(Br)cc1CNCc1noc2c1CCCC2 ZINC000288415226 456095373 /nfs/dbraw/zinc/09/53/73/456095373.db2.gz JFXJPPXKJIYEOM-UHFFFAOYSA-N 0 0 337.217 3.311 20 10 EGCDRN Cc1cc(C(=O)N[C@H]2C[C@H](C)OC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000288702290 456102770 /nfs/dbraw/zinc/10/27/70/456102770.db2.gz UTBQWPCDPPQVRI-ZBEGNZNMSA-N 0 0 346.814 3.181 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)[C@]3(C)CCCOC3)cc2)CC1 ZINC000272935334 456116738 /nfs/dbraw/zinc/11/67/38/456116738.db2.gz QZZPYFJBFYWEJQ-HXUWFJFHSA-N 0 0 330.472 3.356 20 10 EGCDRN COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c(OC)n1 ZINC000289470328 456126784 /nfs/dbraw/zinc/12/67/84/456126784.db2.gz DISKZKWCZCEWBX-UHFFFAOYSA-N 0 0 341.455 3.379 20 10 EGCDRN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000289849045 456153443 /nfs/dbraw/zinc/15/34/43/456153443.db2.gz QJHIPJJRORXNEB-IOHHAYIISA-N 0 0 333.378 3.487 20 10 EGCDRN C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000273068027 456167560 /nfs/dbraw/zinc/16/75/60/456167560.db2.gz ISUAUYAXRFAVNG-CVEARBPZSA-N 0 0 345.487 3.073 20 10 EGCDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)Cc1ccc(N)cc1 ZINC000236812388 456187512 /nfs/dbraw/zinc/18/75/12/456187512.db2.gz FWZJYKCTAGGFTG-UHFFFAOYSA-N 0 0 325.412 3.353 20 10 EGCDRN CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1OCC ZINC000236872322 456194652 /nfs/dbraw/zinc/19/46/52/456194652.db2.gz PHNCEENNIFFWTP-CQSZACIVSA-N 0 0 342.439 3.486 20 10 EGCDRN C[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000273174109 456200705 /nfs/dbraw/zinc/20/07/05/456200705.db2.gz MVRVDSXYPZUEFX-OLZOCXBDSA-N 0 0 331.387 3.478 20 10 EGCDRN C[C@H]([NH2+]CCCn1cnc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273402552 456228522 /nfs/dbraw/zinc/22/85/22/456228522.db2.gz NLRLWXBJSSXPMU-ZDUSSCGKSA-N 0 0 340.383 3.391 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000273420935 456228672 /nfs/dbraw/zinc/22/86/72/456228672.db2.gz SAMLMWLTZCAIHE-CYBMUJFWSA-N 0 0 328.412 3.096 20 10 EGCDRN C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273423035 456230466 /nfs/dbraw/zinc/23/04/66/456230466.db2.gz SNCMAGAGOWMYAR-BBRMVZONSA-N 0 0 345.399 3.381 20 10 EGCDRN Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000273425095 456230738 /nfs/dbraw/zinc/23/07/38/456230738.db2.gz TYEUCJSEGKVGBW-ZBFHGGJFSA-N 0 0 345.370 3.195 20 10 EGCDRN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273454243 456231876 /nfs/dbraw/zinc/23/18/76/456231876.db2.gz GUPTYCHZGGMGOT-ZANVPECISA-N 0 0 334.243 3.137 20 10 EGCDRN C[C@@H]([NH2+]CCOc1ncccc1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273481156 456232649 /nfs/dbraw/zinc/23/26/49/456232649.db2.gz LYOHMPOHKZBNSC-SNVBAGLBSA-N 0 0 337.763 3.078 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000273473513 456233454 /nfs/dbraw/zinc/23/34/54/456233454.db2.gz KEHZAFKNYZIVEY-JTQLQIEISA-N 0 0 332.425 3.364 20 10 EGCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c(O)c1C ZINC000273513115 456235859 /nfs/dbraw/zinc/23/58/59/456235859.db2.gz SDDCHCQHAWIMLS-CYBMUJFWSA-N 0 0 325.412 3.373 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1nnc(C)s1 ZINC000274199755 456252691 /nfs/dbraw/zinc/25/26/91/456252691.db2.gz LWILBKONLBBUHO-NSHDSACASA-N 0 0 334.445 3.235 20 10 EGCDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000274284403 456253880 /nfs/dbraw/zinc/25/38/80/456253880.db2.gz ZKAMWCURIBSWPY-CYBMUJFWSA-N 0 0 342.395 3.066 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@]2(C)CCCO)cc1 ZINC000274892363 456267471 /nfs/dbraw/zinc/26/74/71/456267471.db2.gz BFPPHCVCXJJFBM-HXUWFJFHSA-N 0 0 347.503 3.369 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000275143886 456270858 /nfs/dbraw/zinc/27/08/58/456270858.db2.gz SQMQDJZJHMTKGS-VLIAUNLRSA-N 0 0 343.423 3.127 20 10 EGCDRN CCc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000302072845 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/nfs/dbraw/zinc/47/27/27/575472727.db2.gz RNRCHYGVOQGFBD-UHFFFAOYSA-N 0 0 327.331 3.426 20 10 EGCDRN CCc1ccc(OCC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000734404552 575480657 /nfs/dbraw/zinc/48/06/57/575480657.db2.gz KFBSQCZMJPZKLB-UHFFFAOYSA-N 0 0 326.440 3.319 20 10 EGCDRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1=CC(=O)CS1 ZINC000734551213 575511324 /nfs/dbraw/zinc/51/13/24/575511324.db2.gz MPYMXEMIMQIEGB-UHFFFAOYSA-N 0 0 335.772 3.087 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCn2cccc2[C@H]1C ZINC000734687932 575537296 /nfs/dbraw/zinc/53/72/96/575537296.db2.gz YKUIHZRMHVAZCP-OAHLLOKOSA-N 0 0 326.444 3.149 20 10 EGCDRN CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000736294735 575928394 /nfs/dbraw/zinc/92/83/94/575928394.db2.gz PTDOQGQRRZTKAZ-AWEZNQCLSA-N 0 0 333.428 3.082 20 10 EGCDRN CCOc1ccc(N(C)CC(=O)NCCOc2cccc(C)c2)cc1 ZINC000739926887 576520931 /nfs/dbraw/zinc/52/09/31/576520931.db2.gz MOPQJQRCAGAHIT-UHFFFAOYSA-N 0 0 342.439 3.025 20 10 EGCDRN O=C(O[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1=CC(=O)CS1 ZINC000740243770 576569167 /nfs/dbraw/zinc/56/91/67/576569167.db2.gz BMAVSRBZXUUQEE-LBPRGKRZSA-N 0 0 337.784 3.069 20 10 EGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)Oc2ccc(SC)cc2)c1 ZINC000740927847 576637306 /nfs/dbraw/zinc/63/73/06/576637306.db2.gz SVBIDUYNEZRUQY-LBPRGKRZSA-N 0 0 347.436 3.206 20 10 EGCDRN COc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000742476046 576786465 /nfs/dbraw/zinc/78/64/65/576786465.db2.gz IGMHRMUVLDTDBP-UHFFFAOYSA-N 0 0 325.412 3.011 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1c(C)nn(C)c1C ZINC000742900780 576797435 /nfs/dbraw/zinc/79/74/35/576797435.db2.gz QHAXLQGDKKXIPJ-UHFFFAOYSA-N 0 0 342.468 3.436 20 10 EGCDRN CS[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000743552700 576811823 /nfs/dbraw/zinc/81/18/23/576811823.db2.gz RBRCIZLXMABPQF-WBVHZDCISA-N 0 0 333.501 3.370 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)NCCOC3CCC3)cc2)CC1 ZINC000743599058 576812920 /nfs/dbraw/zinc/81/29/20/576812920.db2.gz CDJWAJYQRBXBFG-UHFFFAOYSA-N 0 0 345.487 3.291 20 10 EGCDRN CC(C)n1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000743624714 576813615 /nfs/dbraw/zinc/81/36/15/576813615.db2.gz IGYYQTSZGJQOFZ-UHFFFAOYSA-N 0 0 342.443 3.048 20 10 EGCDRN CC(C)(C)c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)no1 ZINC000743717192 576815172 /nfs/dbraw/zinc/81/51/72/576815172.db2.gz IHLQIAPVYJOSSY-UHFFFAOYSA-N 0 0 328.412 3.487 20 10 EGCDRN Cc1cc(C)n([C@H](C)CC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000743717890 576815220 /nfs/dbraw/zinc/81/52/20/576815220.db2.gz YBNKKLULENXWGI-OAHLLOKOSA-N 0 0 341.455 3.352 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)CN(C)c2ccccc2)cc1 ZINC000743861877 576817227 /nfs/dbraw/zinc/81/72/27/576817227.db2.gz SGVCIAJOPXJCFJ-UHFFFAOYSA-N 0 0 325.456 3.285 20 10 EGCDRN Oc1ccccc1CN(Cc1ccco1)Cc1nnc(C2CC2)o1 ZINC000744398376 576827119 /nfs/dbraw/zinc/82/71/19/576827119.db2.gz PTAGACLTUZNYNO-UHFFFAOYSA-N 0 0 325.368 3.448 20 10 EGCDRN Cc1ccc(-c2nc(CNCc3cc4c(cc3O)OCO4)co2)cc1 ZINC000744446799 576828705 /nfs/dbraw/zinc/82/87/05/576828705.db2.gz BUCKRTZZWCMNJX-UHFFFAOYSA-N 0 0 338.363 3.374 20 10 EGCDRN O=C(/C=C/c1cncc(F)c1)N1CCN(CC2CC2)c2ccccc21 ZINC000744751247 576833766 /nfs/dbraw/zinc/83/37/66/576833766.db2.gz ZRGUQDUYNBJVEW-BQYQJAHWSA-N 0 0 337.398 3.497 20 10 EGCDRN COc1cccc(CNC(=O)NCCCc2ccc(C)cc2C)c1O ZINC000745347210 576846256 /nfs/dbraw/zinc/84/62/56/576846256.db2.gz YFLLNJMWJWOANL-UHFFFAOYSA-N 0 0 342.439 3.450 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](CC(=O)[O-])C2CCCC2)c1O ZINC000825946805 602339128 /nfs/dbraw/zinc/33/91/28/602339128.db2.gz QUFIAARZTUROEV-UHFFFAOYSA-N 0 0 325.792 3.077 20 10 EGCDRN CCOc1ccc(C[C@H](C[NH2+]Cc2cccc(C)c2O)C(=O)[O-])cc1 ZINC000833664245 605520176 /nfs/dbraw/zinc/52/01/76/605520176.db2.gz NLNCZSGXMWXYIA-QGZVFWFLSA-N 0 0 343.423 3.132 20 10 EGCDRN C[C@H](O)C[C@H](C)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098218 1298234876 /nfs/dbraw/zinc/23/48/76/1298234876.db2.gz DZYRLJNGHMVDRE-IUCAKERBSA-N 0 0 336.657 3.305 20 10 EGCDRN Cc1cc(Br)cc(CN2CCOC(C)(C)[C@@H]2C)c1O ZINC000687952183 1298121734 /nfs/dbraw/zinc/12/17/34/1298121734.db2.gz FNBOOAZWUHLSJL-NSHDSACASA-N 0 0 328.250 3.462 20 10 EGCDRN Cc1cc(C)nc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000794861531 1309611714 /nfs/dbraw/zinc/61/17/14/1309611714.db2.gz XFYMJXANPKETJA-UHFFFAOYSA-N 0 0 345.786 3.026 20 10 EGCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000018215272 1291187089 /nfs/dbraw/zinc/18/70/89/1291187089.db2.gz IJXDKPNNWNATLK-UHFFFAOYSA-N 0 0 346.814 3.107 20 10 EGCDRN Cc1ccsc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000021709454 1291204004 /nfs/dbraw/zinc/20/40/04/1291204004.db2.gz VBIVLNRWMYVVKF-UHFFFAOYSA-N 0 0 330.453 3.165 20 10 EGCDRN COc1cccc(NC(=O)CN2CCCc3cc(OC)ccc32)c1 ZINC000027578426 1291288788 /nfs/dbraw/zinc/28/87/88/1291288788.db2.gz WJSIUERHUOGENV-UHFFFAOYSA-N 0 0 326.396 3.095 20 10 EGCDRN CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000029046077 1291320596 /nfs/dbraw/zinc/32/05/96/1291320596.db2.gz XUGDULAJBXJIOT-UHFFFAOYSA-N 0 0 349.408 3.251 20 10 EGCDRN CCCCc1nnc(NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000043383493 1291455281 /nfs/dbraw/zinc/45/52/81/1291455281.db2.gz RLYFFRLOBGWTKB-UHFFFAOYSA-N 0 0 333.461 3.268 20 10 EGCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000044305067 1291484026 /nfs/dbraw/zinc/48/40/26/1291484026.db2.gz QBENSXSITAIPGP-UHFFFAOYSA-N 0 0 342.823 3.024 20 10 EGCDRN C[C@H](Sc1nccs1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000052913952 1291714910 /nfs/dbraw/zinc/71/49/10/1291714910.db2.gz RXKJKOMPYMQHDW-ZETCQYMHSA-N 0 0 327.362 3.310 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000057117953 1291844997 /nfs/dbraw/zinc/84/49/97/1291844997.db2.gz FUKCWIDBWWOBAT-AWEZNQCLSA-N 0 0 349.475 3.062 20 10 EGCDRN CCO[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000062304531 1291985909 /nfs/dbraw/zinc/98/59/09/1291985909.db2.gz PGXMYQDRFXOPHC-INIZCTEOSA-N 0 0 327.428 3.130 20 10 EGCDRN COc1ccc(N(C)C[C@@H](O)COc2cc(C)ccc2C)cc1OC ZINC000063618010 1292019279 /nfs/dbraw/zinc/01/92/79/1292019279.db2.gz IGXOBBSGGCBLIX-QGZVFWFLSA-N 0 0 345.439 3.197 20 10 EGCDRN COc1ccc(C)cc1NC(=O)CN(C)c1ccc(OC)c(OC)c1 ZINC000063616870 1292019725 /nfs/dbraw/zinc/01/97/25/1292019725.db2.gz PWFNLWVQBUDBTA-UHFFFAOYSA-N 0 0 344.411 3.096 20 10 EGCDRN CCc1ccc(NC(=O)CN(C)c2ccc(OC)c(OC)c2)cc1 ZINC000067984595 1292180035 /nfs/dbraw/zinc/18/00/35/1292180035.db2.gz JSONPQCORIJJHL-UHFFFAOYSA-N 0 0 328.412 3.341 20 10 EGCDRN Cc1cc(C(=O)CN2CCN(C(C)C)CC2)c(C)n1-c1ccccc1 ZINC000075635161 1292403551 /nfs/dbraw/zinc/40/35/51/1292403551.db2.gz QMFCYAPAQBHGLV-UHFFFAOYSA-N 0 0 339.483 3.303 20 10 EGCDRN C[C@H](Nc1ccc2nnc([C@@H]3C[C@H]3C)n2n1)c1ccc(N(C)C)cc1 ZINC000827938535 1292407799 /nfs/dbraw/zinc/40/77/99/1292407799.db2.gz OJDNYQCFYAROPY-DVOMOZLQSA-N 0 0 336.443 3.487 20 10 EGCDRN O=C1CC[C@H](CN2CCCc3cc(OC(F)(F)F)ccc32)CCN1 ZINC000828126794 1292434265 /nfs/dbraw/zinc/43/42/65/1292434265.db2.gz PFKYTQIVGFABDM-LBPRGKRZSA-N 0 0 342.361 3.254 20 10 EGCDRN CCSCC[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000076790044 1292442542 /nfs/dbraw/zinc/44/25/42/1292442542.db2.gz TXGLKUKTKYHLFW-LBPRGKRZSA-N 0 0 327.469 3.223 20 10 EGCDRN COC(=O)[C@](C)(NCc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC000828583516 1292477939 /nfs/dbraw/zinc/47/79/39/1292477939.db2.gz YXULCGNWWDHXPN-HXUWFJFHSA-N 0 0 330.472 3.417 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2CCCN3)c1 ZINC000828666452 1292488776 /nfs/dbraw/zinc/48/87/76/1292488776.db2.gz CVMFOEKAKCAHDO-LBPRGKRZSA-N 0 0 326.396 3.250 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)COc2ccc(F)cc2F)cc1 ZINC000079011928 1292540330 /nfs/dbraw/zinc/54/03/30/1292540330.db2.gz MXKPRIPBUXPXTN-UHFFFAOYSA-N 0 0 334.366 3.068 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC[C@H]1CC1(Cl)Cl ZINC000829239700 1292556823 /nfs/dbraw/zinc/55/68/23/1292556823.db2.gz VCZOONSHZHJOOY-NSHDSACASA-N 0 0 343.254 3.452 20 10 EGCDRN COC(=O)c1cnc(S[C@@H]2CCN(c3ccc(C)cc3)C2=O)s1 ZINC000829681083 1292601832 /nfs/dbraw/zinc/60/18/32/1292601832.db2.gz NBZUWTQVZZOYEL-GFCCVEGCSA-N 0 0 348.449 3.136 20 10 EGCDRN COc1cccc(OCCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000829818704 1292626860 /nfs/dbraw/zinc/62/68/60/1292626860.db2.gz ZYLCJSVDUDGGTQ-HNNXBMFYSA-N 0 0 342.439 3.408 20 10 EGCDRN COc1ccc(OC(C)(C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000830141418 1292671378 /nfs/dbraw/zinc/67/13/78/1292671378.db2.gz SXUDKQIBEVDNSE-UHFFFAOYSA-N 0 0 329.396 3.217 20 10 EGCDRN COc1cccc(CNC(=O)c2ccc(Br)s2)c1O ZINC000081777928 1292674259 /nfs/dbraw/zinc/67/42/59/1292674259.db2.gz RHIRFVBSOLOONZ-UHFFFAOYSA-N 0 0 342.214 3.155 20 10 EGCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cccc(Br)c1 ZINC000085203920 1292719077 /nfs/dbraw/zinc/71/90/77/1292719077.db2.gz WJJYRZXVNVJQJO-UHFFFAOYSA-N 0 0 346.177 3.095 20 10 EGCDRN CCOCCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000085709749 1292723765 /nfs/dbraw/zinc/72/37/65/1292723765.db2.gz SGXNICBOFWXEDU-UHFFFAOYSA-N 0 0 337.375 3.217 20 10 EGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000830558946 1292735026 /nfs/dbraw/zinc/73/50/26/1292735026.db2.gz DYQRXCGNCWYHJK-DLBZAZTESA-N 0 0 325.408 3.373 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(O)CCCCC1 ZINC000086532698 1292736078 /nfs/dbraw/zinc/73/60/78/1292736078.db2.gz YVSDBLUHJWNHND-UHFFFAOYSA-N 0 0 330.472 3.331 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc([C@@H]3CCCO3)s2)c1 ZINC000089817258 1292777435 /nfs/dbraw/zinc/77/74/35/1292777435.db2.gz MOMJXJBPDSPOCS-YGRLFVJLSA-N 0 0 348.424 3.200 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(F)cc(OC)c2)c1 ZINC000094058280 1292940527 /nfs/dbraw/zinc/94/05/27/1292940527.db2.gz LDNWQEMNGGWVPM-LLVKDONJSA-N 0 0 348.374 3.109 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)N3CCC[C@H](C)CC3)CC2)cc1 ZINC000102577433 1292978606 /nfs/dbraw/zinc/97/86/06/1292978606.db2.gz FOOYYNSAVCQBBC-INIZCTEOSA-N 0 0 345.487 3.496 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C)CC3)CC2)cc1 ZINC000102577432 1292978907 /nfs/dbraw/zinc/97/89/07/1292978907.db2.gz FOOYYNSAVCQBBC-MRXNPFEDSA-N 0 0 345.487 3.496 20 10 EGCDRN Cc1cc(C(=O)N(CC(N)=O)C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000103427514 1293006098 /nfs/dbraw/zinc/00/60/98/1293006098.db2.gz QQLMFJFPWZOORQ-UHFFFAOYSA-N 0 0 347.846 3.083 20 10 EGCDRN CCc1nc2ccc(C(=O)NCCc3ccc(N)cc3)cc2nc1CC ZINC000832652782 1293032988 /nfs/dbraw/zinc/03/29/88/1293032988.db2.gz GPRFBTPLBFNXNR-UHFFFAOYSA-N 0 0 348.450 3.309 20 10 EGCDRN Cc1cc(C(=O)N2CC[NH+](C(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000105956358 1293046645 /nfs/dbraw/zinc/04/66/45/1293046645.db2.gz NPRPHBWMOWHHBF-UHFFFAOYSA-N 0 0 343.446 3.399 20 10 EGCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n(C)n1 ZINC000108431382 1293080687 /nfs/dbraw/zinc/08/06/87/1293080687.db2.gz KFAQTKMDEODGBY-UHFFFAOYSA-N 0 0 341.459 3.287 20 10 EGCDRN C[C@@H]1C[C@H](NCc2ccc(N3CCSCC3)cc2)c2nccn21 ZINC000834519220 1293109095 /nfs/dbraw/zinc/10/90/95/1293109095.db2.gz QYHJPKYEMVCUHF-PBHICJAKSA-N 0 0 328.485 3.232 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[S@@](=O)C(C)(C)C)cc1 ZINC000112304521 1293124568 /nfs/dbraw/zinc/12/45/68/1293124568.db2.gz HVRVMGDTFVNQDE-DEOSSOPVSA-N 0 0 346.496 3.371 20 10 EGCDRN CNC(=O)CCOc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000834751387 1293142276 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CCOCc1cccc(NC(=O)NCc2cc(OC)ccc2O)c1 ZINC000114576228 1293172400 /nfs/dbraw/zinc/17/24/00/1293172400.db2.gz MJLSHKDQPSDAOP-UHFFFAOYSA-N 0 0 330.384 3.259 20 10 EGCDRN CCOc1cc(C)ccc1NC(=O)NCc1cc(OC)ccc1O ZINC000114572156 1293172527 /nfs/dbraw/zinc/17/25/27/1293172527.db2.gz UCRYBZWEFLXJQU-UHFFFAOYSA-N 0 0 330.384 3.430 20 10 EGCDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(=O)NCCc1ccccc1 ZINC000834914512 1293176028 /nfs/dbraw/zinc/17/60/28/1293176028.db2.gz NHPSJQNRSIVRFU-CHWSQXEVSA-N 0 0 348.393 3.068 20 10 EGCDRN CN(C)C(=O)COc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000114762461 1293176670 /nfs/dbraw/zinc/17/66/70/1293176670.db2.gz IBDSEQMKNJQYPE-UHFFFAOYSA-N 0 0 334.803 3.125 20 10 EGCDRN COc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1OC ZINC000115280751 1293186314 /nfs/dbraw/zinc/18/63/14/1293186314.db2.gz MSEXTBVLVUWDRN-UHFFFAOYSA-N 0 0 328.412 3.008 20 10 EGCDRN COC(=O)Nc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115280529 1293186410 /nfs/dbraw/zinc/18/64/10/1293186410.db2.gz VRFGDUCFYZPNBK-UHFFFAOYSA-N 0 0 341.411 3.169 20 10 EGCDRN COc1ccc(CN(C)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115854393 1293195562 /nfs/dbraw/zinc/19/55/62/1293195562.db2.gz ZSUFKMBQIBJURG-UHFFFAOYSA-N 0 0 341.455 3.411 20 10 EGCDRN CN1CCCc2cc(CNC(=O)N(CC3CC3)CC3CC3)ccc21 ZINC000115813662 1293195786 /nfs/dbraw/zinc/19/57/86/1293195786.db2.gz CVLDFFMDDIKERG-UHFFFAOYSA-N 0 0 327.472 3.401 20 10 EGCDRN Cc1cc(C(=O)Nc2cnn(CC(F)F)c2)c(C)n1-c1ccccn1 ZINC000116841534 1293211533 /nfs/dbraw/zinc/21/15/33/1293211533.db2.gz NBWJUAHNVVQEHR-UHFFFAOYSA-N 0 0 345.353 3.203 20 10 EGCDRN Cc1cccc(CS(=O)(=O)NCCCSc2nccs2)c1 ZINC000117365181 1293219573 /nfs/dbraw/zinc/21/95/73/1293219573.db2.gz NNTALJWJQGPUIY-UHFFFAOYSA-N 0 0 342.511 3.053 20 10 EGCDRN CN(CC(=O)Nc1cccc2c1N=S=N2)c1ccc2c(c1)OCO2 ZINC000121264233 1293362975 /nfs/dbraw/zinc/36/29/75/1293362975.db2.gz ZJVAGHFFMVGUIK-UHFFFAOYSA-N 0 0 342.380 3.217 20 10 EGCDRN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(Cl)s1 ZINC000122194906 1293404616 /nfs/dbraw/zinc/40/46/16/1293404616.db2.gz GTIGOJKHKPFDQO-VIFPVBQESA-N 0 0 325.817 3.275 20 10 EGCDRN Cc1cc(C(=O)N(CCO)C2CC2)c(C)n1-c1cccc(Cl)c1 ZINC000122318287 1293407905 /nfs/dbraw/zinc/40/79/05/1293407905.db2.gz CWPVMVJRCZUXMY-UHFFFAOYSA-N 0 0 332.831 3.344 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(Cl)nc2)c1 ZINC000123265158 1293438501 /nfs/dbraw/zinc/43/85/01/1293438501.db2.gz OYHIATRFEIMPHJ-LLVKDONJSA-N 0 0 349.818 3.052 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2C(C)(C)O)cc1 ZINC000123943736 1293460763 /nfs/dbraw/zinc/46/07/63/1293460763.db2.gz VRNUJEAIXLRNLA-GOSISDBHSA-N 0 0 326.440 3.470 20 10 EGCDRN CC[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000836243465 1293466645 /nfs/dbraw/zinc/46/66/45/1293466645.db2.gz XXVDSBBYMWEPQQ-CVEARBPZSA-N 0 0 333.501 3.085 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCC[C@@H](O)C2)cc1 ZINC000124154011 1293468912 /nfs/dbraw/zinc/46/89/12/1293468912.db2.gz VINXIJZFUQKNJW-QFBILLFUSA-N 0 0 326.440 3.375 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)COC/C=C/c2ccccc2)cc1 ZINC000124940042 1293489841 /nfs/dbraw/zinc/48/98/41/1293489841.db2.gz PBTSNCGHACUGKN-JXMROGBWSA-N 0 0 338.451 3.441 20 10 EGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000125163959 1293497589 /nfs/dbraw/zinc/49/75/89/1293497589.db2.gz UGJBMHUAIXMXEN-SNVBAGLBSA-N 0 0 334.304 3.093 20 10 EGCDRN CN(Cc1csc(Br)c1)C(=O)c1cccc(O)c1O ZINC000126177162 1293527016 /nfs/dbraw/zinc/52/70/16/1293527016.db2.gz ZHVSBNJWBFIHEF-UHFFFAOYSA-N 0 0 342.214 3.194 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)NO[C@H]3CCCCO3)c2C)cc1 ZINC000128200577 1293586258 /nfs/dbraw/zinc/58/62/58/1293586258.db2.gz QDTVZPKMMCHLIQ-SFHVURJKSA-N 0 0 344.411 3.291 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000128788551 1293604534 /nfs/dbraw/zinc/60/45/34/1293604534.db2.gz MTNINRPVBSINAV-GJZGRUSLSA-N 0 0 332.469 3.389 20 10 EGCDRN CCOc1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)cc1 ZINC000130340138 1293652533 /nfs/dbraw/zinc/65/25/33/1293652533.db2.gz FQOWBLZZSZXKGP-NTEUORMPSA-N 0 0 346.433 3.475 20 10 EGCDRN Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(C)n1-c1ccc(F)cc1 ZINC000130736152 1293666525 /nfs/dbraw/zinc/66/65/25/1293666525.db2.gz DMXPKPWDWYTUGD-ROUUACIJSA-N 0 0 330.403 3.267 20 10 EGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000131583002 1293694763 /nfs/dbraw/zinc/69/47/63/1293694763.db2.gz SFFUFCMDUFUCKO-JKSUJKDBSA-N 0 0 330.378 3.451 20 10 EGCDRN COc1ccc(N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000131768780 1293700919 /nfs/dbraw/zinc/70/09/19/1293700919.db2.gz ODERIIFCEYFIDM-UHFFFAOYSA-N 0 0 332.356 3.257 20 10 EGCDRN COc1ccc(N(C)CC(=O)N(C2CC2)C2CCCC2)c(OC)c1 ZINC000131976659 1293705398 /nfs/dbraw/zinc/70/53/98/1293705398.db2.gz QIUMRAXAADXZLO-UHFFFAOYSA-N 0 0 332.444 3.074 20 10 EGCDRN Cc1cc(C(=O)NCC2(CO)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000134181054 1293766099 /nfs/dbraw/zinc/76/60/99/1293766099.db2.gz XRUWIBNDOFYQMG-UHFFFAOYSA-N 0 0 332.831 3.250 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccc(Cl)nc1 ZINC000134944395 1293784918 /nfs/dbraw/zinc/78/49/18/1293784918.db2.gz 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/nfs/dbraw/zinc/89/52/05/1293895205.db2.gz ZKKUOQRYFMDOBP-UHFFFAOYSA-N 0 0 341.455 3.459 20 10 EGCDRN Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1-c1ccccc1C ZINC000150871026 1293896973 /nfs/dbraw/zinc/89/69/73/1293896973.db2.gz IRSGFUWBVGAECO-IBGZPJMESA-N 0 0 326.440 3.245 20 10 EGCDRN CSC[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000151052468 1293904280 /nfs/dbraw/zinc/90/42/80/1293904280.db2.gz OFDMXAAJNYHBRG-LJQANCHMSA-N 0 0 346.496 3.246 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2COc3ccc(C)cc32)c1 ZINC000151645200 1293933034 /nfs/dbraw/zinc/93/30/34/1293933034.db2.gz IQXONHUGJVKCHL-LRDDRELGSA-N 0 0 342.395 3.203 20 10 EGCDRN O=C(NCCCSc1nccs1)NCCOc1ccccc1 ZINC000151663392 1293933885 /nfs/dbraw/zinc/93/38/85/1293933885.db2.gz FZKNKFHYBYLPHM-UHFFFAOYSA-N 0 0 337.470 3.004 20 10 EGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000151875302 1293942510 /nfs/dbraw/zinc/94/25/10/1293942510.db2.gz ZSUFXSSMHWXGSB-UHFFFAOYSA-N 0 0 347.314 3.400 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1noc2c1CCCCC2 ZINC000153626208 1294022043 /nfs/dbraw/zinc/02/20/43/1294022043.db2.gz OZYSHUOHBOCEFT-UHFFFAOYSA-N 0 0 327.428 3.248 20 10 EGCDRN CCOC[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000154681319 1294066667 /nfs/dbraw/zinc/06/66/67/1294066667.db2.gz KKUHYDZWZLIXBI-CYBMUJFWSA-N 0 0 343.518 3.083 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)NCc2cccc(N(C)C)c2)cc1 ZINC000155291146 1294091302 /nfs/dbraw/zinc/09/13/02/1294091302.db2.gz OWXWDZUMCXDFMB-UHFFFAOYSA-N 0 0 340.471 3.160 20 10 EGCDRN COC[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C1CC1 ZINC000155436334 1294097679 /nfs/dbraw/zinc/09/76/79/1294097679.db2.gz HGTJOYHSBGAGFS-IBGZPJMESA-N 0 0 342.439 3.258 20 10 EGCDRN Cc1cc(C(=O)Nc2ccc(=O)n(C)c2)c(C)n1-c1ccccc1C ZINC000155453740 1294098945 /nfs/dbraw/zinc/09/89/45/1294098945.db2.gz ZIHNLTNELLQARR-UHFFFAOYSA-N 0 0 335.407 3.354 20 10 EGCDRN CS[C@@H](C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000155934420 1294119431 /nfs/dbraw/zinc/11/94/31/1294119431.db2.gz UXFDRDOHIGYIGL-HNNXBMFYSA-N 0 0 335.517 3.474 20 10 EGCDRN O=C(NCc1ccc(O)c(O)c1)c1csc(-c2cccs2)n1 ZINC000158873702 1294218767 /nfs/dbraw/zinc/21/87/67/1294218767.db2.gz OCIVJGGIRMKWKR-UHFFFAOYSA-N 0 0 332.406 3.213 20 10 EGCDRN CCc1cc(=O)[nH]c(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000160589115 1294271836 /nfs/dbraw/zinc/27/18/36/1294271836.db2.gz ZCGHVYCCLPVFIH-UHFFFAOYSA-N 0 0 340.471 3.367 20 10 EGCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000161177942 1294286864 /nfs/dbraw/zinc/28/68/64/1294286864.db2.gz YDNYUZVFTWQXOC-JTQLQIEISA-N 0 0 341.816 3.094 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000161849261 1294301062 /nfs/dbraw/zinc/30/10/62/1294301062.db2.gz LXKCOQBHXLFXMX-UHFFFAOYSA-N 0 0 345.374 3.462 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(N(C)C)cc2F)c1 ZINC000162191373 1294309418 /nfs/dbraw/zinc/30/94/18/1294309418.db2.gz STNHTIDXXRDFIV-LLVKDONJSA-N 0 0 332.375 3.097 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C)nc2N(C)C)c1 ZINC000162486534 1294316128 /nfs/dbraw/zinc/31/61/28/1294316128.db2.gz BJICWQIUXSZOPS-LBPRGKRZSA-N 0 0 344.415 3.053 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)N[C@H](C)CC(C)C)CC2)cc1 ZINC000163117760 1294328746 /nfs/dbraw/zinc/32/87/46/1294328746.db2.gz SYQQHWFIGWDJGD-OAHLLOKOSA-N 0 0 333.476 3.398 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2ccccc2OC)c1 ZINC000170901044 1294385770 /nfs/dbraw/zinc/38/57/70/1294385770.db2.gz WEZVIPOCCVGWCH-ZDUSSCGKSA-N 0 0 329.396 3.219 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)c1cnc(-c2ccccn2)s1 ZINC000171295350 1294401759 /nfs/dbraw/zinc/40/17/59/1294401759.db2.gz FYHYUFIIKBMECU-UHFFFAOYSA-N 0 0 325.393 3.183 20 10 EGCDRN CCCc1ncc(C(=O)NCCCSc2nccs2)s1 ZINC000173702124 1294468680 /nfs/dbraw/zinc/46/86/80/1294468680.db2.gz AUDZLKCEUVYDJT-UHFFFAOYSA-N 0 0 327.500 3.464 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)N3CCC[C@H](C)[C@H]3C)CC2)cc1 ZINC000174606340 1294510239 /nfs/dbraw/zinc/51/02/39/1294510239.db2.gz AMUBKLAMQJQHHY-JKSUJKDBSA-N 0 0 345.487 3.494 20 10 EGCDRN COc1ccc(C)nc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000174796265 1294525366 /nfs/dbraw/zinc/52/53/66/1294525366.db2.gz FDEABBVTQWGAGS-UHFFFAOYSA-N 0 0 336.395 3.453 20 10 EGCDRN O=C(CCc1ccoc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000175544174 1294563214 /nfs/dbraw/zinc/56/32/14/1294563214.db2.gz XLKFKJRSUUDEAS-QGZVFWFLSA-N 0 0 329.396 3.126 20 10 EGCDRN Cc1cnc(CNC(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000175639500 1294566562 /nfs/dbraw/zinc/56/65/62/1294566562.db2.gz TVEKAPWIOICMLC-UHFFFAOYSA-N 0 0 330.457 3.051 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@@](C)(O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000176061953 1294587944 /nfs/dbraw/zinc/58/79/44/1294587944.db2.gz VJOCNHCWNRUVDT-GOSISDBHSA-N 0 0 332.831 3.344 20 10 EGCDRN CCNC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000176437058 1294605600 /nfs/dbraw/zinc/60/56/00/1294605600.db2.gz GYFXEXOUMUIOEJ-UHFFFAOYSA-N 0 0 334.778 3.258 20 10 EGCDRN Cc1cc(C(=O)NCCC[S@@](C)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000176596659 1294616409 /nfs/dbraw/zinc/61/64/09/1294616409.db2.gz IECQECRMCZSQJX-XMMPIXPASA-N 0 0 346.496 3.209 20 10 EGCDRN CCc1ncc(NC(=O)NCc2ccc(N(CC)CC)cc2)cn1 ZINC000178819732 1294757500 /nfs/dbraw/zinc/75/75/00/1294757500.db2.gz JAKYDWAITBDQAJ-UHFFFAOYSA-N 0 0 327.432 3.207 20 10 EGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1cccc2nccn21 ZINC000178943318 1294764682 /nfs/dbraw/zinc/76/46/82/1294764682.db2.gz BRIMHCNEWQGJDN-KAMYIIQDSA-N 0 0 326.425 3.227 20 10 EGCDRN Cc1cc(NC(=O)c2ccc(C)c(O)c2O)n(Cc2ccccc2)n1 ZINC000179447648 1294796470 /nfs/dbraw/zinc/79/64/70/1294796470.db2.gz FDRODRJSBWPFSV-UHFFFAOYSA-N 0 0 337.379 3.212 20 10 EGCDRN COc1ccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)c(OC)c1 ZINC000179531568 1294802522 /nfs/dbraw/zinc/80/25/22/1294802522.db2.gz PBUBFYORVHXKRW-WEVVVXLNSA-N 0 0 332.787 3.428 20 10 EGCDRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccccc1O ZINC000179582849 1294806095 /nfs/dbraw/zinc/80/60/95/1294806095.db2.gz VTJOWKNLCAYNMR-INIZCTEOSA-N 0 0 339.313 3.156 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2cn(C)nc2-c2ccccc2)cc1 ZINC000179620856 1294807916 /nfs/dbraw/zinc/80/79/16/1294807916.db2.gz SGDPWHHWGWTOIY-UHFFFAOYSA-N 0 0 348.450 3.425 20 10 EGCDRN [O-]c1c(Br)cccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179645410 1294811453 /nfs/dbraw/zinc/81/14/53/1294811453.db2.gz BCUACMGMOVZWJN-AWEZNQCLSA-N 0 0 339.277 3.215 20 10 EGCDRN CNC(=O)COc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000179824248 1294831374 /nfs/dbraw/zinc/83/13/74/1294831374.db2.gz ARYVIEYDROWISC-AWEZNQCLSA-N 0 0 327.428 3.051 20 10 EGCDRN Cc1nc2c(cnn2C)c(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000180105627 1294859725 /nfs/dbraw/zinc/85/97/25/1294859725.db2.gz BSZOERODIHSIAH-UHFFFAOYSA-N 0 0 349.394 3.177 20 10 EGCDRN CCOc1ccc2c(c1)CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000180721255 1294910795 /nfs/dbraw/zinc/91/07/95/1294910795.db2.gz KBJRWLGJYNVNRP-XBXARRHUSA-N 0 0 339.391 3.095 20 10 EGCDRN CC[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Oc1ccccc1F ZINC000180844287 1294919222 /nfs/dbraw/zinc/91/92/22/1294919222.db2.gz FOLOAHOYRAXWDF-PLWJUESGSA-N 0 0 345.370 3.224 20 10 EGCDRN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180841809 1294919995 /nfs/dbraw/zinc/91/99/95/1294919995.db2.gz DPABMSMXHZAWNJ-SSVWKNEZSA-N 0 0 341.407 3.002 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2CCCCC2)cn1 ZINC000180967232 1294928911 /nfs/dbraw/zinc/92/89/11/1294928911.db2.gz HSFJGUBOTCFYDN-WEVVVXLNSA-N 0 0 339.395 3.135 20 10 EGCDRN Cc1ccc(C(=O)N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000181412105 1294968115 /nfs/dbraw/zinc/96/81/15/1294968115.db2.gz QKCVAMVLUWJFKW-UHFFFAOYSA-N 0 0 337.467 3.019 20 10 EGCDRN CC(C)Oc1ccc(NCc2cc3c(cc2O)OCO3)cc1C#N ZINC000181527070 1294975602 /nfs/dbraw/zinc/97/56/02/1294975602.db2.gz XZEGCIBSGKDBAV-UHFFFAOYSA-N 0 0 326.352 3.392 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NCc2nnc(C3CC3)n2C2CC2)c1 ZINC000181719011 1294988559 /nfs/dbraw/zinc/98/85/59/1294988559.db2.gz SDFIHSKKBDHALQ-LLVKDONJSA-N 0 0 328.416 3.055 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc1F ZINC000181830913 1294995569 /nfs/dbraw/zinc/99/55/69/1294995569.db2.gz CZJUNCFKEOCYKI-OAHLLOKOSA-N 0 0 337.439 3.037 20 10 EGCDRN O=C(N[C@@H]1CCCOCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000181844320 1294997608 /nfs/dbraw/zinc/99/76/08/1294997608.db2.gz QLROUNPDWCGEDM-MRXNPFEDSA-N 0 0 344.411 3.266 20 10 EGCDRN COc1ccc(O)c([C@H](C)NCc2nc([C@@H](C)OCC(C)C)no2)c1 ZINC000182392851 1295042591 /nfs/dbraw/zinc/04/25/91/1295042591.db2.gz AILJMWLTMKUNKG-QWHCGFSZSA-N 0 0 349.431 3.368 20 10 EGCDRN C/C(=C\C(=O)NCc1ccc(O)c(O)c1)c1ccccc1OC(F)F ZINC000182541463 1295057065 /nfs/dbraw/zinc/05/70/65/1295057065.db2.gz JQMKAJZDXXTFHN-DHZHZOJOSA-N 0 0 349.333 3.419 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2cccc2)cc1 ZINC000183435700 1295119329 /nfs/dbraw/zinc/11/93/29/1295119329.db2.gz UPFDAUYPVZITAR-CQSZACIVSA-N 0 0 336.391 3.250 20 10 EGCDRN COC(=O)COc1ccc(N(C)Cc2cccc3cccnc32)cc1 ZINC000183795706 1295144211 /nfs/dbraw/zinc/14/42/11/1295144211.db2.gz QZCDNFWJQHVKMA-UHFFFAOYSA-N 0 0 336.391 3.423 20 10 EGCDRN CCOc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ccc1[N+](=O)[O-] ZINC000184147462 1295172202 /nfs/dbraw/zinc/17/22/02/1295172202.db2.gz GLFRZOQRYVLLFT-LLVKDONJSA-N 0 0 332.356 3.448 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)Nc3ccncc3F)CC2)cc1 ZINC000184203051 1295177060 /nfs/dbraw/zinc/17/70/60/1295177060.db2.gz DOTLMYHLWSPGPO-UHFFFAOYSA-N 0 0 344.390 3.020 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)c2ncc(C)s2)c1 ZINC000184463264 1295198028 /nfs/dbraw/zinc/19/80/28/1295198028.db2.gz VAGHSHIKSKAWGL-ZYHUDNBSSA-N 0 0 349.456 3.330 20 10 EGCDRN COC1(CNC(=O)NCCCSc2nccs2)CCCCC1 ZINC000185648579 1295277299 /nfs/dbraw/zinc/27/72/99/1295277299.db2.gz KXIVRVVPBDLTLH-UHFFFAOYSA-N 0 0 343.518 3.274 20 10 EGCDRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cccc(O)c1O ZINC000185832926 1295289413 /nfs/dbraw/zinc/28/94/13/1295289413.db2.gz TVYAPBJDIPARKJ-JTQLQIEISA-N 0 0 328.393 3.069 20 10 EGCDRN CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000187689870 1295409202 /nfs/dbraw/zinc/40/92/02/1295409202.db2.gz SVYJFYQKYYHBRG-STQMWFEESA-N 0 0 338.423 3.439 20 10 EGCDRN CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C ZINC000188235281 1295445727 /nfs/dbraw/zinc/44/57/27/1295445727.db2.gz OVHYVPGOEYJMLG-UHFFFAOYSA-N 0 0 339.439 3.292 20 10 EGCDRN CN(c1ccc(CNC(=O)N2CC[C@](C)(O)C2)cc1)C1CCCCC1 ZINC000188536872 1295465392 /nfs/dbraw/zinc/46/53/92/1295465392.db2.gz LKIAYMCNRUSHTA-FQEVSTJZSA-N 0 0 345.487 3.122 20 10 EGCDRN C[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000189129655 1295502022 /nfs/dbraw/zinc/50/20/22/1295502022.db2.gz MYGSOILDHUMHFW-CABCVRRESA-N 0 0 340.475 3.410 20 10 EGCDRN CCc1ccc([C@H]2CN(Cc3cc4c(cc3O)OCO4)CCO2)cc1 ZINC000189815682 1295545336 /nfs/dbraw/zinc/54/53/36/1295545336.db2.gz GVIBAKWRMBPQRF-HXUWFJFHSA-N 0 0 341.407 3.257 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)c(F)c1F ZINC000190915253 1295627408 /nfs/dbraw/zinc/62/74/08/1295627408.db2.gz DOINCIAADQENOF-MRVPVSSYSA-N 0 0 340.301 3.268 20 10 EGCDRN COc1ccc(N2CCN(C(=O)C(C)(C)C3CCC3)CC2)c(OC)c1 ZINC000870165629 1295713282 /nfs/dbraw/zinc/71/32/82/1295713282.db2.gz HHVATWXUQGPRKJ-UHFFFAOYSA-N 0 0 346.471 3.179 20 10 EGCDRN CCOCc1cc(CNC2(c3noc(C)n3)CCCC2)ccc1OC ZINC000195520441 1296073882 /nfs/dbraw/zinc/07/38/82/1296073882.db2.gz SHQQHKSKGSTIBS-UHFFFAOYSA-N 0 0 345.443 3.482 20 10 EGCDRN COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)ccc1O ZINC000208780478 1296098194 /nfs/dbraw/zinc/09/81/94/1296098194.db2.gz GKUPEGVTFWEHEK-XNTDXEJSSA-N 0 0 332.425 3.293 20 10 EGCDRN COC(=O)CN(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000230015942 1296159532 /nfs/dbraw/zinc/15/95/32/1296159532.db2.gz KDDJPXMPUJSFHH-YVMONPNESA-N 0 0 339.391 3.151 20 10 EGCDRN CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccc(N)cc2)cc1 ZINC000236614846 1296192309 /nfs/dbraw/zinc/19/23/09/1296192309.db2.gz MSKLZDUEZVZQFN-UHFFFAOYSA-N 0 0 325.412 3.297 20 10 EGCDRN COCCSc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000237089359 1296219839 /nfs/dbraw/zinc/21/98/39/1296219839.db2.gz ZIAVKHPAHRDEPJ-AWEZNQCLSA-N 0 0 344.480 3.427 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000255134076 1296503549 /nfs/dbraw/zinc/50/35/49/1296503549.db2.gz JYMZGUCGALEVTM-DUWGPSABSA-N 0 0 342.351 3.200 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](CO)CC2)cc1 ZINC000294636938 1296760705 /nfs/dbraw/zinc/76/07/05/1296760705.db2.gz SJEJDCXAMOGUSH-QGZVFWFLSA-N 0 0 326.440 3.329 20 10 EGCDRN Cc1nonc1CN[C@H](C)c1cc(Br)cc(C)c1O ZINC000872135886 1296761261 /nfs/dbraw/zinc/76/12/61/1296761261.db2.gz IVYRMYGOFVQEAS-MRVPVSSYSA-N 0 0 326.194 3.005 20 10 EGCDRN CCN1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC000303161417 1296822196 /nfs/dbraw/zinc/82/21/96/1296822196.db2.gz HCJZLVNKLGWLEY-UHFFFAOYSA-N 0 0 325.456 3.180 20 10 EGCDRN C[C@@](O)(C[NH2+]Cc1cccc(Br)c1[O-])c1cccs1 ZINC000304319011 1296917240 /nfs/dbraw/zinc/91/72/40/1296917240.db2.gz SBABUBUSDONATF-CQSZACIVSA-N 0 0 342.258 3.214 20 10 EGCDRN COc1ccc([C@H]2COCCN2Cc2cc(OC)c(C)cc2O)cc1 ZINC000872748807 1297087229 /nfs/dbraw/zinc/08/72/29/1297087229.db2.gz XXKZERNYOFEGHB-GOSISDBHSA-N 0 0 343.423 3.291 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000320085571 1297159467 /nfs/dbraw/zinc/15/94/67/1297159467.db2.gz YBHIODFXUBMZGP-NHYWBVRUSA-N 0 0 325.836 3.374 20 10 EGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1cccc(OCC(N)=O)c1 ZINC000324816530 1297215812 /nfs/dbraw/zinc/21/58/12/1297215812.db2.gz FHUHIJOEXBKBJS-IUODEOHRSA-N 0 0 326.396 3.225 20 10 EGCDRN CCCOc1ccc(CNCc2ccccc2S(C)(=O)=O)cc1C ZINC000873132271 1297288661 /nfs/dbraw/zinc/28/86/61/1297288661.db2.gz MYWVVOVVIHFMAI-UHFFFAOYSA-N 0 0 347.480 3.477 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C2(Br)CC2)cc1 ZINC000874085324 1297783374 /nfs/dbraw/zinc/78/33/74/1297783374.db2.gz VZOFXYAZNWIETA-UHFFFAOYSA-N 0 0 325.250 3.077 20 10 EGCDRN CCc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2O)cc1C ZINC000874192171 1297816963 /nfs/dbraw/zinc/81/69/63/1297816963.db2.gz RABBWLKZRWHDDO-CYBMUJFWSA-N 0 0 326.396 3.079 20 10 EGCDRN Cc1nnc(-c2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c2)o1 ZINC000588405741 1298058409 /nfs/dbraw/zinc/05/84/09/1298058409.db2.gz OBHMNAAEHDMGGS-VURMDHGXSA-N 0 0 337.335 3.108 20 10 EGCDRN CC(C)(C)c1csc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000588404066 1298058826 /nfs/dbraw/zinc/05/88/26/1298058826.db2.gz CUELHFLGFRAUCF-ALCCZGGFSA-N 0 0 346.452 3.224 20 10 EGCDRN CNC(=O)C1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588477138 1298070596 /nfs/dbraw/zinc/07/05/96/1298070596.db2.gz MWVCDTZNHIUVRM-UHFFFAOYSA-N 0 0 337.383 3.312 20 10 EGCDRN C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000588489714 1298073508 /nfs/dbraw/zinc/07/35/08/1298073508.db2.gz JYLHBHQMOKZBRO-QKXNICGJSA-N 0 0 332.213 3.272 20 10 EGCDRN COc1ccc(CC(C)(C)NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588549903 1298082211 /nfs/dbraw/zinc/08/22/11/1298082211.db2.gz MWMYFBHNDCXUIU-XFFZJAGNSA-N 0 0 341.407 3.257 20 10 EGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000708155871 1298237598 /nfs/dbraw/zinc/23/75/98/1298237598.db2.gz FKUXWCXAPXOFKC-LDYMZIIASA-N 0 0 334.641 3.465 20 10 EGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])no1 ZINC000708158294 1298237869 /nfs/dbraw/zinc/23/78/69/1298237869.db2.gz QPHJOMNPZVILJG-UHFFFAOYSA-N 0 0 331.597 3.394 20 10 EGCDRN CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC000875171145 1298251228 /nfs/dbraw/zinc/25/12/28/1298251228.db2.gz PWIFFYTZUKKVAT-INIZCTEOSA-N 0 0 345.443 3.176 20 10 EGCDRN CN(c1ccc(CNC(=O)NC[C@H]2C[C@H](O)C2)cc1)C1CCCCC1 ZINC000875170766 1298251700 /nfs/dbraw/zinc/25/17/00/1298251700.db2.gz IHFJYVUKKUIMME-RUCARUNLSA-N 0 0 345.487 3.026 20 10 EGCDRN C[C@H]1CC([NH2+]Cc2cc(Br)cc(F)c2[O-])C[C@H](C)O1 ZINC000715717900 1298284627 /nfs/dbraw/zinc/28/46/27/1298284627.db2.gz LDCMMJPFVWJSPK-IUCAKERBSA-N 0 0 332.213 3.339 20 10 EGCDRN Cc1noc(C)c1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715776640 1298285910 /nfs/dbraw/zinc/28/59/10/1298285910.db2.gz BJPCLJONNPTVIF-UHFFFAOYSA-N 0 0 329.169 3.188 20 10 EGCDRN COCC1(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CCC1 ZINC000715805108 1298288164 /nfs/dbraw/zinc/28/81/64/1298288164.db2.gz UZBDKELIDYPQII-UHFFFAOYSA-N 0 0 332.213 3.200 20 10 EGCDRN CC(C)O[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715819263 1298288743 /nfs/dbraw/zinc/28/87/43/1298288743.db2.gz VDWBVSYOQFEDAK-GFCCVEGCSA-N 0 0 332.213 3.293 20 10 EGCDRN Cc1ncsc1CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715814953 1298289192 /nfs/dbraw/zinc/28/91/92/1298289192.db2.gz VWVJRHAOUJTAJD-UHFFFAOYSA-N 0 0 345.237 3.391 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000875300856 1298289574 /nfs/dbraw/zinc/28/95/74/1298289574.db2.gz GRTGSHMYSMEIQM-CQSZACIVSA-N 0 0 327.428 3.327 20 10 EGCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCO3)c(C)n1-c1ccccn1 ZINC000725742432 1298354879 /nfs/dbraw/zinc/35/48/79/1298354879.db2.gz HRYVTMFLPZCWEO-UHFFFAOYSA-N 0 0 347.418 3.354 20 10 EGCDRN CO[C@@]1(C)C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1(C)C ZINC000745578139 1298423860 /nfs/dbraw/zinc/42/38/60/1298423860.db2.gz QRTVRAJPNGROKV-PXNSSMCTSA-N 0 0 345.487 3.290 20 10 EGCDRN COC[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1cccc(OC)c1 ZINC000875729974 1298454747 /nfs/dbraw/zinc/45/47/47/1298454747.db2.gz 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COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCOc2ccccc2)c1 ZINC000756365184 1300476915 /nfs/dbraw/zinc/47/69/15/1300476915.db2.gz NRIPEMKXORRODK-CQSZACIVSA-N 0 0 329.396 3.299 20 10 EGCDRN C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756431099 1300488955 /nfs/dbraw/zinc/48/89/55/1300488955.db2.gz BIXPLKWHEGVCDZ-SUMWQHHRSA-N 0 0 335.448 3.462 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000756442272 1300492412 /nfs/dbraw/zinc/49/24/12/1300492412.db2.gz NOPPTJCCDLGVMN-GUYCJALGSA-N 0 0 345.443 3.141 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)COc2cccc(F)c2)c1 ZINC000756457921 1300495913 /nfs/dbraw/zinc/49/59/13/1300495913.db2.gz ICRJGCAWVIZOQC-STQMWFEESA-N 0 0 347.386 3.436 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC2(C(F)(F)F)CCC2)c1 ZINC000879376964 1300506607 /nfs/dbraw/zinc/50/66/07/1300506607.db2.gz ITAOWIYXJDRHLH-SECBINFHSA-N 0 0 332.322 3.246 20 10 EGCDRN C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756529813 1300514593 /nfs/dbraw/zinc/51/45/93/1300514593.db2.gz VYVSDXNKXASFQI-SNVBAGLBSA-N 0 0 330.375 3.188 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756536303 1300515865 /nfs/dbraw/zinc/51/58/65/1300515865.db2.gz UUUWOSFZYLJYCN-PSASIEDQSA-N 0 0 333.657 3.163 20 10 EGCDRN Cc1ccc2nc(C[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])cn2c1 ZINC000756536286 1300516312 /nfs/dbraw/zinc/51/63/12/1300516312.db2.gz UCMFDPWXNAFWNL-GFCCVEGCSA-N 0 0 326.356 3.107 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756537078 1300516500 /nfs/dbraw/zinc/51/65/00/1300516500.db2.gz ZQNLEOPUOJTACO-RKDXNWHRSA-N 0 0 335.673 3.409 20 10 EGCDRN C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756562721 1300521353 /nfs/dbraw/zinc/52/13/53/1300521353.db2.gz IWZGBQXXFMMXFQ-MNOVXSKESA-N 0 0 334.243 3.403 20 10 EGCDRN CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756577258 1300525628 /nfs/dbraw/zinc/52/56/28/1300525628.db2.gz 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1317527876 /nfs/dbraw/zinc/52/78/76/1317527876.db2.gz ITFGIDFWIFQYGP-AWEZNQCLSA-N 0 0 329.366 3.201 20 10 EGCDRN CCOC1CC(C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000806878136 1317534242 /nfs/dbraw/zinc/53/42/42/1317534242.db2.gz MNPCZOMRZTXRHY-UHFFFAOYSA-N 0 0 329.396 3.329 20 10 EGCDRN CC(=O)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000808012244 1317613167 /nfs/dbraw/zinc/61/31/67/1317613167.db2.gz MHGMJCINQHIZRY-UHFFFAOYSA-N 0 0 349.415 3.456 20 10 EGCDRN CC(=O)C(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000808010147 1317613299 /nfs/dbraw/zinc/61/32/99/1317613299.db2.gz MOVSMXOJRVVYFA-UHFFFAOYSA-N 0 0 335.388 3.286 20 10 EGCDRN CC(=O)C(=O)CSc1nnc(Nc2cccc(Cl)c2C)s1 ZINC000808017866 1317614432 /nfs/dbraw/zinc/61/44/32/1317614432.db2.gz DZJZTGYBOVPUCD-UHFFFAOYSA-N 0 0 341.845 3.494 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000808093649 1317622130 /nfs/dbraw/zinc/62/21/30/1317622130.db2.gz RSPNPFXVJMMKMB-UHFFFAOYSA-N 0 0 335.400 3.032 20 10 EGCDRN C[C@H](NC(=O)NC[C@H]1COc2ccccc21)c1ccc(N(C)C)cc1 ZINC000808292496 1317657555 /nfs/dbraw/zinc/65/75/55/1317657555.db2.gz WQDDBSBHTKMMRK-HOCLYGCPSA-N 0 0 339.439 3.289 20 10 EGCDRN CC(=O)C(=O)COC(=O)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000808491057 1317686537 /nfs/dbraw/zinc/68/65/37/1317686537.db2.gz LFBAKGXXQUSXDU-UHFFFAOYSA-N 0 0 337.784 3.087 20 10 EGCDRN C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cc(Br)cc(F)c1[O-] ZINC000903406320 1317698046 /nfs/dbraw/zinc/69/80/46/1317698046.db2.gz HNEZSEYJLHBKOE-OQPBUACISA-N 0 0 332.213 3.105 20 10 EGCDRN Cc1cc(Cl)cc([C@H](C)Nc2cnn(CC(=O)NC3CC3)c2)c1O ZINC000808712904 1317720228 /nfs/dbraw/zinc/72/02/28/1317720228.db2.gz IXNINIJVZIQYLS-NSHDSACASA-N 0 0 348.834 3.002 20 10 EGCDRN Cc1cc(C(=O)N[C@H](C)[C@H](O)c2ccccc2)c(C)n1-c1ccccn1 ZINC000809214720 1317788092 /nfs/dbraw/zinc/78/80/92/1317788092.db2.gz ICLHLWYDDJQLFQ-QRWLVFNGSA-N 0 0 349.434 3.341 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)Oc2ccccc2C)c1 ZINC000858254834 1328724077 /nfs/dbraw/zinc/72/40/77/1328724077.db2.gz ILDMIFFFZVVMMN-OAHLLOKOSA-N 0 0 328.412 3.276 20 10 EGCDRN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc(Br)c1[O-] ZINC000809703355 1317869285 /nfs/dbraw/zinc/86/92/85/1317869285.db2.gz JJNGGTZFGUETAX-GXTWGEPZSA-N 0 0 339.277 3.213 20 10 EGCDRN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cccc(Br)c1[O-] ZINC000809724554 1317878261 /nfs/dbraw/zinc/87/82/61/1317878261.db2.gz PFFSJJJGSSAERJ-WFASDCNBSA-N 0 0 339.277 3.213 20 10 EGCDRN COc1cc(-c2noc(-c3cc(C)n(-c4ccccn4)c3C)n2)ncn1 ZINC000904781866 1317897254 /nfs/dbraw/zinc/89/72/54/1317897254.db2.gz WJURMDIAMWGOBC-UHFFFAOYSA-N 0 0 348.366 3.005 20 10 EGCDRN Cc1cc(Br)cc(CNc2ccc(CCO)nc2)c1O ZINC000809780433 1317899754 /nfs/dbraw/zinc/89/97/54/1317899754.db2.gz XRTPRCHCKHYYOW-UHFFFAOYSA-N 0 0 337.217 3.005 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2nnc3ccccc3n2)cc1 ZINC000809974055 1317927338 /nfs/dbraw/zinc/92/73/38/1317927338.db2.gz JWERJFZRWNDKSY-UHFFFAOYSA-N 0 0 349.438 3.143 20 10 EGCDRN Cc1cc(S(=O)(=O)NCc2ccccc2O)ccc1C(F)(F)F ZINC000810049281 1317944726 /nfs/dbraw/zinc/94/47/26/1317944726.db2.gz MXTMGPYVTJTDTF-UHFFFAOYSA-N 0 0 345.342 3.198 20 10 EGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)CN(C)C(C)C)c1 ZINC000810173160 1317969343 /nfs/dbraw/zinc/96/93/43/1317969343.db2.gz XRQPWVAMAHEANJ-GFCCVEGCSA-N 0 0 329.282 3.281 20 10 EGCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1csc2ccccc12 ZINC000810207190 1317976677 /nfs/dbraw/zinc/97/66/77/1317976677.db2.gz FCSJNXPWRBJINC-ZROIWOOFSA-N 0 0 330.434 3.204 20 10 EGCDRN COc1ccc(C[C@@H](C)CNC(=O)NCc2cc(C)ccc2O)cc1 ZINC000858327033 1328738168 /nfs/dbraw/zinc/73/81/68/1328738168.db2.gz JXWIEYAVCNRNKO-OAHLLOKOSA-N 0 0 342.439 3.387 20 10 EGCDRN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)c2ccccc2C(=O)N1 ZINC000811509318 1318188408 /nfs/dbraw/zinc/18/84/08/1318188408.db2.gz OXUDLLJWVNNOFO-SNVBAGLBSA-N 0 0 334.778 3.323 20 10 EGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000811515018 1318192327 /nfs/dbraw/zinc/19/23/27/1318192327.db2.gz LCFBISBDOSFUEM-UHFFFAOYSA-N 0 0 326.824 3.097 20 10 EGCDRN CN(C)c1cccnc1CNC(=S)Nc1ccc2c(c1)CCC2 ZINC000811709816 1318233897 /nfs/dbraw/zinc/23/38/97/1318233897.db2.gz MRIVZWQFENTUST-UHFFFAOYSA-N 0 0 326.469 3.123 20 10 EGCDRN CCOc1ccc(NC(=S)NCc2ncccc2N(C)C)cc1 ZINC000811709889 1318233984 /nfs/dbraw/zinc/23/39/84/1318233984.db2.gz RBFLDLPELSGFEI-UHFFFAOYSA-N 0 0 330.457 3.033 20 10 EGCDRN Oc1ccc(CCNc2nnc(Cc3ccc(F)cc3)s2)cc1O ZINC000811811110 1318271212 /nfs/dbraw/zinc/27/12/12/1318271212.db2.gz LPSLRKKWIZPQGO-UHFFFAOYSA-N 0 0 345.399 3.334 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(F)cc1[O-] ZINC000812739763 1318446299 /nfs/dbraw/zinc/44/62/99/1318446299.db2.gz CJTLDRLBJHDCBH-YPMHNXCESA-N 0 0 332.350 3.127 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@](C)(OC)C2CC2)cc1 ZINC000812924657 1318480117 /nfs/dbraw/zinc/48/01/17/1318480117.db2.gz OUCNSLXAKOIPPG-FQEVSTJZSA-N 0 0 347.503 3.489 20 10 EGCDRN COc1ccc(O)c(CNC(=O)NCCc2ccc(Cl)c(C)c2)c1 ZINC000813071520 1318494167 /nfs/dbraw/zinc/49/41/67/1318494167.db2.gz WLIKWHDQSHKXTD-UHFFFAOYSA-N 0 0 348.830 3.405 20 10 EGCDRN Cc1ccoc1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000813583764 1318595569 /nfs/dbraw/zinc/59/55/69/1318595569.db2.gz BBUWGXMBEXLJRP-UHFFFAOYSA-N 0 0 345.468 3.141 20 10 EGCDRN Cc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])nc(N2CCCC2)n1 ZINC000813884782 1318651146 /nfs/dbraw/zinc/65/11/46/1318651146.db2.gz HRVXYLLJLRPDCQ-GFCCVEGCSA-N 0 0 348.397 3.220 20 10 EGCDRN CCOc1cccc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000814176628 1318689213 /nfs/dbraw/zinc/68/92/13/1318689213.db2.gz SNPSPHHJVHSJEW-ZDUSSCGKSA-N 0 0 333.350 3.333 20 10 EGCDRN O=C(NCc1ccc(O)cc1O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000910950656 1318697409 /nfs/dbraw/zinc/69/74/09/1318697409.db2.gz ZKYBWIREWUCCKD-UHFFFAOYSA-N 0 0 331.799 3.390 20 10 EGCDRN CC(C)(C)OCc1ccccc1C(=O)NCc1ccc(O)cc1O ZINC000910949974 1318697951 /nfs/dbraw/zinc/69/79/51/1318697951.db2.gz RIUUMQOJLLZJOQ-UHFFFAOYSA-N 0 0 329.396 3.343 20 10 EGCDRN Cc1cc(C(=O)NCc2nccc(C)n2)c(C)n1-c1ccccc1C ZINC000911017435 1318707665 /nfs/dbraw/zinc/70/76/65/1318707665.db2.gz DAKNLNIGMPJRGQ-UHFFFAOYSA-N 0 0 334.423 3.431 20 10 EGCDRN COc1ccc(CNC(=O)NC[C@@H](c2ccccc2)C2CC2)c(O)c1 ZINC000814420155 1318738305 /nfs/dbraw/zinc/73/83/05/1318738305.db2.gz PNEOMNAJLCWGAN-SFHVURJKSA-N 0 0 340.423 3.394 20 10 EGCDRN CC[C@@H](O)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912109610 1318817715 /nfs/dbraw/zinc/81/77/15/1318817715.db2.gz HQUJFMYOWPIARK-SWLSCSKDSA-N 0 0 346.393 3.051 20 10 EGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCC(=O)C2)cc1 ZINC000912111811 1318818844 /nfs/dbraw/zinc/81/88/44/1318818844.db2.gz ZZLLQSWGXVPBQM-ZDUSSCGKSA-N 0 0 342.361 3.013 20 10 EGCDRN Cc1cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)ccc1N(C)C ZINC000815099793 1318891308 /nfs/dbraw/zinc/89/13/08/1318891308.db2.gz MJNHNWKACXGESM-HNNXBMFYSA-N 0 0 327.476 3.353 20 10 EGCDRN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815566316 1319017615 /nfs/dbraw/zinc/01/76/15/1319017615.db2.gz PTPDDBRQTMDXNG-WDEREUQCSA-N 0 0 332.366 3.366 20 10 EGCDRN CN(C)c1ccc(CN[C@H](c2nc[nH]n2)c2ccc(F)cc2)cc1F ZINC000815572092 1319018203 /nfs/dbraw/zinc/01/82/03/1319018203.db2.gz UTRYWYKPNQSGHW-KRWDZBQOSA-N 0 0 343.381 3.028 20 10 EGCDRN CC(C)c1nocc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000858590276 1328802700 /nfs/dbraw/zinc/80/27/00/1328802700.db2.gz QWIIGTFHMBFWCZ-UHFFFAOYSA-N 0 0 345.468 3.281 20 10 EGCDRN Cc1nc(C(C)C)ccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000816028846 1319089437 /nfs/dbraw/zinc/08/94/37/1319089437.db2.gz PDHRSIJIAWOPMJ-GFCCVEGCSA-N 0 0 328.412 3.286 20 10 EGCDRN Cc1cc(C(=O)OCc2cn(C)nc2Cl)c(C)n1-c1ccccn1 ZINC000816154506 1319112278 /nfs/dbraw/zinc/11/22/78/1319112278.db2.gz UESJQWXBNPBXPW-UHFFFAOYSA-N 0 0 344.802 3.233 20 10 EGCDRN NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816483573 1319163171 /nfs/dbraw/zinc/16/31/71/1319163171.db2.gz XCEZHHPCCRWOMQ-UHFFFAOYSA-N 0 0 336.794 3.062 20 10 EGCDRN COc1cc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])ccc1O ZINC000816552013 1319181334 /nfs/dbraw/zinc/18/13/34/1319181334.db2.gz XXGSSGRZCIYXRF-UHFFFAOYSA-N 0 0 325.767 3.231 20 10 EGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000816560717 1319182757 /nfs/dbraw/zinc/18/27/57/1319182757.db2.gz XYYJHGULXXCMOE-LBPRGKRZSA-N 0 0 329.799 3.350 20 10 EGCDRN [NH3+]CCN(Cc1cc(Cl)c(F)cc1O)c1ccccc1[N+](=O)[O-] ZINC000816610494 1319194230 /nfs/dbraw/zinc/19/42/30/1319194230.db2.gz MOGYXOUNDLEPJH-UHFFFAOYSA-N 0 0 339.754 3.058 20 10 EGCDRN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)c2ccccc2C(=O)N1 ZINC000816613880 1319194981 /nfs/dbraw/zinc/19/49/81/1319194981.db2.gz HXKLRZFUMDHUHH-SNVBAGLBSA-N 0 0 334.778 3.323 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)c2n[nH]c3ccccc32)C2CC2)cc1 ZINC000914438488 1319326535 /nfs/dbraw/zinc/32/65/35/1319326535.db2.gz AUMPLCNUTQPQCW-UHFFFAOYSA-N 0 0 334.423 3.434 20 10 EGCDRN CCc1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nn1C ZINC000817327426 1319327197 /nfs/dbraw/zinc/32/71/97/1319327197.db2.gz IAJHFMCRNAOBKZ-AWEZNQCLSA-N 0 0 343.475 3.110 20 10 EGCDRN Cc1cc(C)n(CCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000914507724 1319339040 /nfs/dbraw/zinc/33/90/40/1319339040.db2.gz SIKSXHJTYBKCMI-UHFFFAOYSA-N 0 0 342.487 3.393 20 10 EGCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1cccc(Br)c1 ZINC000914515069 1319339480 /nfs/dbraw/zinc/33/94/80/1319339480.db2.gz IRMABVAJGKVCQC-FPLPWBNLSA-N 0 0 334.217 3.249 20 10 EGCDRN CCCN1C[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000817410701 1319350907 /nfs/dbraw/zinc/35/09/07/1319350907.db2.gz FDJSTJLGDPZIQO-JTQLQIEISA-N 0 0 331.243 3.047 20 10 EGCDRN CC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](CC)O1 ZINC000817412155 1319351781 /nfs/dbraw/zinc/35/17/81/1319351781.db2.gz DYXHPWXXDVWRSE-IAGOWNOFSA-N 0 0 336.451 3.052 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000817631683 1319418044 /nfs/dbraw/zinc/41/80/44/1319418044.db2.gz FCFHMPAFSLVAFI-RNZFLTOJSA-N 0 0 329.318 3.302 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)C[C@H](CO)C1 ZINC000817630697 1319418095 /nfs/dbraw/zinc/41/80/95/1319418095.db2.gz LKZLPWGIGBHFPA-DOMZBBRYSA-N 0 0 332.469 3.246 20 10 EGCDRN CCc1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nn1C ZINC000817709503 1319428331 /nfs/dbraw/zinc/42/83/31/1319428331.db2.gz SMQKEGGCSOZXIV-UHFFFAOYSA-N 0 0 343.431 3.493 20 10 EGCDRN COc1ccc2c(c1)OC(C)(C)CN(C(=O)C1=CC(=O)CS1)C2 ZINC000817770424 1319441866 /nfs/dbraw/zinc/44/18/66/1319441866.db2.gz BUOKPNKFHALVDS-UHFFFAOYSA-N 0 0 333.409 3.276 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)[C@@H]1CC1(C)C ZINC000817870596 1319449802 /nfs/dbraw/zinc/44/98/02/1319449802.db2.gz BYUJYMDUVBZGRK-HOTGVXAUSA-N 0 0 346.471 3.072 20 10 EGCDRN C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1[O-] ZINC000817939486 1319468106 /nfs/dbraw/zinc/46/81/06/1319468106.db2.gz BSDLBHITOMLOHY-GTNSWQLSSA-N 0 0 335.398 3.087 20 10 EGCDRN C[C@H](NC[C@@H]1CCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817953301 1319474868 /nfs/dbraw/zinc/47/48/68/1319474868.db2.gz ZLYXMBBFUMCMJT-WPRPVWTQSA-N 0 0 333.657 3.211 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCCc2nc(C)no2)cc1 ZINC000915615085 1319506628 /nfs/dbraw/zinc/50/66/28/1319506628.db2.gz GQBDJDGNYBDZGS-UHFFFAOYSA-N 0 0 344.459 3.206 20 10 EGCDRN CCn1nc(C)c(CN[C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000818344782 1319532020 /nfs/dbraw/zinc/53/20/20/1319532020.db2.gz QNGNKYDWOBXQCH-OAHLLOKOSA-N 0 0 327.476 3.448 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCOC[C@@H]1CCCO1 ZINC000915848530 1319548840 /nfs/dbraw/zinc/54/88/40/1319548840.db2.gz XXPDFUGKTSXVGT-IBGZPJMESA-N 0 0 348.487 3.075 20 10 EGCDRN Nc1ccc(CCNC(=O)CCc2cccc(OC(F)F)c2)cc1 ZINC000818545267 1319557007 /nfs/dbraw/zinc/55/70/07/1319557007.db2.gz UFDGWANFHMHBBC-UHFFFAOYSA-N 0 0 334.366 3.162 20 10 EGCDRN Nc1ccc(NC(=O)c2ccccc2COC2CCOCC2)cc1 ZINC000818556363 1319559179 /nfs/dbraw/zinc/55/91/79/1319559179.db2.gz OLIUYDOVCBFDSL-UHFFFAOYSA-N 0 0 326.396 3.217 20 10 EGCDRN CCCOc1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1 ZINC000819009657 1319612686 /nfs/dbraw/zinc/61/26/86/1319612686.db2.gz 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/nfs/dbraw/zinc/22/09/21/1321220921.db2.gz VNEVWJUKMPUXLG-BLLLJJGKSA-N 0 0 341.411 3.109 20 10 EGCDRN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841113729 1321220958 /nfs/dbraw/zinc/22/09/58/1321220958.db2.gz VPPCHBWEBLPNTC-ACJLOTCBSA-N 0 0 337.423 3.037 20 10 EGCDRN CN(C(=O)C(=O)Nc1ccc(N)cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000841141058 1321226257 /nfs/dbraw/zinc/22/62/57/1321226257.db2.gz JVLHHCMRYJAUGK-MSOLQXFVSA-N 0 0 337.423 3.002 20 10 EGCDRN Cc1ccc(CNC(=O)Nc2ccc(N)cc2)c(O[C@@H]2CCOC2)c1 ZINC000841299770 1321249405 /nfs/dbraw/zinc/24/94/05/1321249405.db2.gz JRIVGMFULLECCE-QGZVFWFLSA-N 0 0 341.411 3.067 20 10 EGCDRN CC[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccc2c(c1)OCCO2 ZINC000841301489 1321250175 /nfs/dbraw/zinc/25/01/75/1321250175.db2.gz RAJHBQWOLQJHHN-OAHLLOKOSA-N 0 0 327.384 3.313 20 10 EGCDRN Nc1ccc(CCNC(=O)NCCCSc2ccc(F)cc2)cc1 ZINC000841628904 1321289274 /nfs/dbraw/zinc/28/92/74/1321289274.db2.gz DWIAROBNJIBJAH-UHFFFAOYSA-N 0 0 347.459 3.432 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc(Cl)cc1[O-] ZINC000841757685 1321307451 /nfs/dbraw/zinc/30/74/51/1321307451.db2.gz PCUOBDORRROEFS-GHJWDPDVSA-N 0 0 335.835 3.350 20 10 EGCDRN Nc1ccc(CCNC(=O)NCC2(c3ccc(F)cc3)CCC2)cc1 ZINC000841770572 1321310773 /nfs/dbraw/zinc/31/07/73/1321310773.db2.gz IZPYBTWWJAOGBC-UHFFFAOYSA-N 0 0 341.430 3.372 20 10 EGCDRN C[C@H](CCOCc1ccccc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841906846 1321328458 /nfs/dbraw/zinc/32/84/58/1321328458.db2.gz VWIHNSGEGKLMTB-MRXNPFEDSA-N 0 0 341.455 3.106 20 10 EGCDRN CCC[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H](O)c1ccccc1 ZINC000841957973 1321332533 /nfs/dbraw/zinc/33/25/33/1321332533.db2.gz FZEMFWNHEQNYME-RBUKOAKNSA-N 0 0 341.455 3.013 20 10 EGCDRN Cc1cc(C(=O)Cn2cc(C)cnc2=O)c(C)n1-c1ccccc1C ZINC000842057403 1321340582 /nfs/dbraw/zinc/34/05/82/1321340582.db2.gz UHRHVVNBZAQDRR-UHFFFAOYSA-N 0 0 335.407 3.151 20 10 EGCDRN CC[C@@H](C)N1CC(=O)N([C@@H](C)Cc2ccc(N(C)C)cc2C)C1=O ZINC000842264926 1321366926 /nfs/dbraw/zinc/36/69/26/1321366926.db2.gz OJCXSNWVEOEFEL-CABCVRRESA-N 0 0 331.460 3.055 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)[C@H]2CCCCCN2C1=O ZINC000842265563 1321367049 /nfs/dbraw/zinc/36/70/49/1321367049.db2.gz VKDMKPQTXPKZFI-MAUKXSAKSA-N 0 0 343.471 3.199 20 10 EGCDRN C[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842922080 1321449419 /nfs/dbraw/zinc/44/94/19/1321449419.db2.gz ABYBFXGMROVNAM-MEDUHNTESA-N 0 0 334.347 3.214 20 10 EGCDRN CC(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)Cc1ccccc1O ZINC000843030529 1321459392 /nfs/dbraw/zinc/45/93/92/1321459392.db2.gz KOPWXGQPGJKXNH-GDBMZVCRSA-N 0 0 344.459 3.169 20 10 EGCDRN CN(C)c1ccc(C[NH+]2CCC(C)(C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000843041319 1321460003 /nfs/dbraw/zinc/46/00/03/1321460003.db2.gz QKFMFVXKAGRKDM-UHFFFAOYSA-N 0 0 344.377 3.458 20 10 EGCDRN [O-]c1c(Br)cccc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000843054249 1321463156 /nfs/dbraw/zinc/46/31/56/1321463156.db2.gz HLZSBCNCEULFTE-UHFFFAOYSA-N 0 0 339.277 3.119 20 10 EGCDRN Nc1ccc(Cc2noc(CCCOCCc3ccccc3)n2)cc1 ZINC000843162446 1321481073 /nfs/dbraw/zinc/48/10/73/1321481073.db2.gz XKEJSOYGGRZGQQ-UHFFFAOYSA-N 0 0 337.423 3.435 20 10 EGCDRN Cc1c(-c2nc(Cc3ccc(N)cc3)no2)cnn1CCC(C)C ZINC000843159293 1321481123 /nfs/dbraw/zinc/48/11/23/1321481123.db2.gz OLSRUJYPZUOKSB-UHFFFAOYSA-N 0 0 325.416 3.461 20 10 EGCDRN CC(C)Cn1nccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000843405162 1321512814 /nfs/dbraw/zinc/51/28/14/1321512814.db2.gz BWKKSKKTTGPENL-UHFFFAOYSA-N 0 0 338.249 3.297 20 10 EGCDRN CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2F)SC1=S ZINC000844275148 1321584196 /nfs/dbraw/zinc/58/41/96/1321584196.db2.gz RUQFQSYEBZVLDS-SDQBBNPISA-N 0 0 327.402 3.064 20 10 EGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)cc1F ZINC000844357772 1321593561 /nfs/dbraw/zinc/59/35/61/1321593561.db2.gz QAHUUTSOJUDTGU-QGZVFWFLSA-N 0 0 326.415 3.313 20 10 EGCDRN COc1ccc(N(C)CCN(C)[C@H](C)c2nc(C3CC3)no2)cc1 ZINC000844399132 1321599352 /nfs/dbraw/zinc/59/93/52/1321599352.db2.gz HILGZUTWUVFGLR-CYBMUJFWSA-N 0 0 330.432 3.085 20 10 EGCDRN C[C@@H](NC(=O)c1cccc2c1OCCCO2)c1ccc(N(C)C)cc1 ZINC000844485983 1321611388 /nfs/dbraw/zinc/61/13/88/1321611388.db2.gz SMCHBFVMZUBXIG-CQSZACIVSA-N 0 0 340.423 3.405 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ncoc2C(C)C)cc1 ZINC000844854853 1321650896 /nfs/dbraw/zinc/65/08/96/1321650896.db2.gz URRHBOMHGIORNS-UHFFFAOYSA-N 0 0 331.416 3.015 20 10 EGCDRN CC[C@H]1C[C@@H](CC(=O)N(C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000844856269 1321651124 /nfs/dbraw/zinc/65/11/24/1321651124.db2.gz MZJZPSVXGNYLOC-WMZOPIPTSA-N 0 0 348.487 3.185 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)c2ccncc2)cc1 ZINC000844855271 1321651345 /nfs/dbraw/zinc/65/13/45/1321651345.db2.gz SVDDXUPEXLGCLV-MRXNPFEDSA-N 0 0 341.455 3.179 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)CCCOC(C)(C)C)cc1 ZINC000844857033 1321651699 /nfs/dbraw/zinc/65/16/99/1321651699.db2.gz WMNCMZGDKMAHGU-UHFFFAOYSA-N 0 0 336.476 3.185 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2csc(C(C)=O)c2)cc1 ZINC000844857146 1321651886 /nfs/dbraw/zinc/65/18/86/1321651886.db2.gz QWQUUVOQBXVQJI-UHFFFAOYSA-N 0 0 346.452 3.168 20 10 EGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC1(C2CCC2)CC1 ZINC000844890299 1321654831 /nfs/dbraw/zinc/65/48/31/1321654831.db2.gz VYDNBJDMHJHGKL-UHFFFAOYSA-N 0 0 345.512 3.372 20 10 EGCDRN CNC(=O)CCSCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000845337422 1321700367 /nfs/dbraw/zinc/70/03/67/1321700367.db2.gz XDRFDPYITWFMCK-UHFFFAOYSA-N 0 0 344.480 3.455 20 10 EGCDRN COc1cccc([C@@H](C)Nc2ccc(OCC(=O)N(C)C)cc2)c1O ZINC000846160419 1321773457 /nfs/dbraw/zinc/77/34/57/1321773457.db2.gz VOCVTFQIHLYJOZ-CYBMUJFWSA-N 0 0 344.411 3.041 20 10 EGCDRN C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000846214208 1321776780 /nfs/dbraw/zinc/77/67/80/1321776780.db2.gz UFYLZDWDYJNPKS-MEBBXXQBSA-N 0 0 334.243 3.281 20 10 EGCDRN C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000846214202 1321776984 /nfs/dbraw/zinc/77/69/84/1321776984.db2.gz UFYLZDWDYJNPKS-BMIGLBTASA-N 0 0 334.243 3.281 20 10 EGCDRN C[C@@](O)(CCc1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC000846475365 1321788242 /nfs/dbraw/zinc/78/82/42/1321788242.db2.gz CSPJKKSRTDTTMJ-GOSISDBHSA-N 0 0 333.815 3.046 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)/C(C)=C/c3ccco3)CC2)cc1 ZINC000846853828 1321817123 /nfs/dbraw/zinc/81/71/23/1321817123.db2.gz IXDQHSLVDDJKRG-CCEZHUSRSA-N 0 0 340.423 3.477 20 10 EGCDRN O=C(NCCCSc1nccs1)NCc1noc2ccccc12 ZINC000847336256 1321863688 /nfs/dbraw/zinc/86/36/88/1321863688.db2.gz OUFNKZKNUVWFOO-UHFFFAOYSA-N 0 0 348.453 3.266 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1scc2c1OCCO2 ZINC000847398750 1321869329 /nfs/dbraw/zinc/86/93/29/1321869329.db2.gz IZWVTXSABPRPIW-UHFFFAOYSA-N 0 0 346.452 3.248 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2scnc2C(F)(F)F)c1 ZINC000847591144 1321882667 /nfs/dbraw/zinc/88/26/67/1321882667.db2.gz QMBNYQHGXGDMEG-SSDOTTSWSA-N 0 0 346.330 3.367 20 10 EGCDRN Cc1nn(C(C)C)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000847591778 1321882822 /nfs/dbraw/zinc/88/28/22/1321882822.db2.gz ZIQQATAKLVXJRR-UHFFFAOYSA-N 0 0 327.428 3.287 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2c1OC(C)(C)C2 ZINC000847696601 1321894278 /nfs/dbraw/zinc/89/42/78/1321894278.db2.gz SFEWFVPUOMXYKS-GFCCVEGCSA-N 0 0 341.407 3.172 20 10 EGCDRN Cc1cc(C(=O)N(C[C@H](C)O)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000848361188 1321954767 /nfs/dbraw/zinc/95/47/67/1321954767.db2.gz OFWCTNIQTBOIRE-ZDUSSCGKSA-N 0 0 330.403 3.219 20 10 EGCDRN Cc1cc(C(=O)N(C[C@@H](C)O)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000848361183 1321955196 /nfs/dbraw/zinc/95/51/96/1321955196.db2.gz OFWCTNIQTBOIRE-CYBMUJFWSA-N 0 0 330.403 3.219 20 10 EGCDRN COc1ccc(CNc2cc(C(F)F)nc(SC)n2)c(O)c1 ZINC000848694327 1321996577 /nfs/dbraw/zinc/99/65/77/1321996577.db2.gz LXNFKSVPADTJFB-UHFFFAOYSA-N 0 0 327.356 3.462 20 10 EGCDRN CC(=O)c1cc(C(=O)NCc2ccccc2O)ccc1OC(C)C ZINC000848970956 1322051567 /nfs/dbraw/zinc/05/15/67/1322051567.db2.gz AAKRPNRJRLVFIF-UHFFFAOYSA-N 0 0 327.380 3.312 20 10 EGCDRN Fc1cc(CNc2nnc(C3CCCC3)o2)ccc1N1CCOCC1 ZINC000849163291 1322092898 /nfs/dbraw/zinc/09/28/98/1322092898.db2.gz IAPFBBGTOXHEFE-UHFFFAOYSA-N 0 0 346.406 3.315 20 10 EGCDRN COC(=O)CSCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000849191827 1322096443 /nfs/dbraw/zinc/09/64/43/1322096443.db2.gz VBVTXCQDBPGFBS-UHFFFAOYSA-N 0 0 331.437 3.491 20 10 EGCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3cc(C)nc(C)n3)sc2n1 ZINC000849660887 1322129477 /nfs/dbraw/zinc/12/94/77/1322129477.db2.gz VPESPOAHKDGJCU-UHFFFAOYSA-N 0 0 342.424 3.259 20 10 EGCDRN COCc1ccc(CNC(=O)CSc2ncc(Cl)s2)cc1 ZINC000849998624 1322178432 /nfs/dbraw/zinc/17/84/32/1322178432.db2.gz HBFWNLQCXQMJOM-UHFFFAOYSA-N 0 0 342.873 3.351 20 10 EGCDRN Cc1nc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH]c1C ZINC000850034578 1322186492 /nfs/dbraw/zinc/18/64/92/1322186492.db2.gz OYJVPJVOCQHVNV-CHWSQXEVSA-N 0 0 346.450 3.069 20 10 EGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850355575 1322232992 /nfs/dbraw/zinc/23/29/92/1322232992.db2.gz JKQYGXJLHISVIM-AWEZNQCLSA-N 0 0 348.321 3.280 20 10 EGCDRN C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000850387716 1322236740 /nfs/dbraw/zinc/23/67/40/1322236740.db2.gz YBQYOYIIDDDVIX-ZDUSSCGKSA-N 0 0 341.293 3.365 20 10 EGCDRN Cn1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C(F)F ZINC000930934847 1329012136 /nfs/dbraw/zinc/01/21/36/1329012136.db2.gz OVEVKUPOEQAZOU-UHFFFAOYSA-N 0 0 348.397 3.278 20 10 EGCDRN CCN(CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(OC)c(OC)c1 ZINC000921061599 1322250621 /nfs/dbraw/zinc/25/06/21/1322250621.db2.gz HYANTTBWMWIIQX-AWEZNQCLSA-N 0 0 346.471 3.320 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C1(CO)CC1 ZINC000850513451 1322259856 /nfs/dbraw/zinc/25/98/56/1322259856.db2.gz GEMKTBIYIBTBBD-DTWKUNHWSA-N 0 0 332.213 3.105 20 10 EGCDRN COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(OC)c1 ZINC000850515452 1322259999 /nfs/dbraw/zinc/25/99/99/1322259999.db2.gz XZCJZPUNIRLDJF-YVEFUNNKSA-N 0 0 346.383 3.347 20 10 EGCDRN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000850530624 1322262026 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346.390 3.467 20 10 EGCDRN CN(C)c1ccc(CN(Cc2ncnn2C(C)(C)C)C2CC2)cc1 ZINC000283622783 456814134 /nfs/dbraw/zinc/81/41/34/456814134.db2.gz RRYNLWPUFYHTBK-UHFFFAOYSA-N 0 0 327.476 3.264 20 10 EGCDRN CSCCCCC(=O)NCc1cccc(Br)c1O ZINC000277490704 456842595 /nfs/dbraw/zinc/84/25/95/456842595.db2.gz JJKWNVAQNKQMPQ-UHFFFAOYSA-N 0 0 332.263 3.304 20 10 EGCDRN Cc1cc(C(=O)NC2(C3CC3)CCOCC2)c(C)n1-c1ccccn1 ZINC000364081621 457478886 /nfs/dbraw/zinc/47/88/86/457478886.db2.gz NAUWSNULUUXYDX-UHFFFAOYSA-N 0 0 339.439 3.178 20 10 EGCDRN COc1ccc(CNC(=O)C2CC(OCc3ccccc3)C2)c(O)c1 ZINC000370622803 457684426 /nfs/dbraw/zinc/68/44/26/457684426.db2.gz RLWMJTLJYDEVLJ-UHFFFAOYSA-N 0 0 341.407 3.012 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccon3)ccc21 ZINC000357939460 457732860 /nfs/dbraw/zinc/73/28/60/457732860.db2.gz ZCYCERRTZWBELQ-ZDUSSCGKSA-N 0 0 341.411 3.384 20 10 EGCDRN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000365495331 457762460 /nfs/dbraw/zinc/76/24/60/457762460.db2.gz 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CCN1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C[C@H]1C ZINC000754383426 1300134866 /nfs/dbraw/zinc/13/48/66/1300134866.db2.gz ALLMYFJJUWEOIK-QGZVFWFLSA-N 0 0 339.483 3.303 20 10 EGCDRN Cc1cc(C(=O)CN2CCC[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000754639463 1300179845 /nfs/dbraw/zinc/17/98/45/1300179845.db2.gz IUQYBMFZGXHWKS-GOSISDBHSA-N 0 0 326.440 3.042 20 10 EGCDRN COc1cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000754731843 1300203608 /nfs/dbraw/zinc/20/36/08/1300203608.db2.gz KCDCUSYDIWPXJI-PSVOKBTDSA-N 0 0 339.501 3.040 20 10 EGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ncccn2)c1O ZINC000878976235 1300298108 /nfs/dbraw/zinc/29/81/08/1300298108.db2.gz RBYXHKVKDTWCHG-OAHLLOKOSA-N 0 0 331.803 3.375 20 10 EGCDRN CC(=O)OCCc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000879147413 1300399237 /nfs/dbraw/zinc/39/92/37/1300399237.db2.gz HWKMNLOSLITFKT-CYBMUJFWSA-N 0 0 342.395 3.381 20 10 EGCDRN COc1cccc(CNC(=O)N[C@@H](C)CCCC(F)(F)F)c1O ZINC000756033736 1300429297 /nfs/dbraw/zinc/42/92/97/1300429297.db2.gz IVQHAVIVKNYOMJ-JTQLQIEISA-N 0 0 334.338 3.321 20 10 EGCDRN O=C([O-])[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1Cl ZINC000756300190 1300463867 /nfs/dbraw/zinc/46/38/67/1300463867.db2.gz JPEMICGNENFIIL-INIZCTEOSA-N 0 0 345.826 3.308 20 10 EGCDRN Cc1cccc(C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)C(=O)[O-])c1 ZINC000756309835 1300465844 /nfs/dbraw/zinc/46/58/44/1300465844.db2.gz PCGMYYCVTJWIAO-GOSISDBHSA-N 0 0 326.440 3.094 20 10 EGCDRN CCc1nc(C[NH2+]Cc2ccc(N(CC)CC)cc2)ccc1C(=O)[O-] ZINC000756310402 1300466514 /nfs/dbraw/zinc/46/65/14/1300466514.db2.gz KRHMOSWYDFRRGA-UHFFFAOYSA-N 0 0 341.455 3.478 20 10 EGCDRN O=C([O-])[C@H](CCC[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000756320978 1300468566 /nfs/dbraw/zinc/46/85/66/1300468566.db2.gz GINMZFVGOWPDKU-LJQANCHMSA-N 0 0 339.435 3.435 20 10 EGCDRN CN(C)c1ccc(C[NH2+][C@H](CCCc2ccccc2)C(=O)[O-])cc1 ZINC000756363541 1300475741 /nfs/dbraw/zinc/47/57/41/1300475741.db2.gz MWSZGDXFQCIOAO-LJQANCHMSA-N 0 0 326.440 3.318 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(F)cc(F)c1[O-] ZINC000756392957 1300483458 /nfs/dbraw/zinc/48/34/58/1300483458.db2.gz LLESXVNGDAWNIB-LLVKDONJSA-N 0 0 330.338 3.102 20 10 EGCDRN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756460499 1300497452 /nfs/dbraw/zinc/49/74/52/1300497452.db2.gz PZHLDMJXYIQQMY-HOCLYGCPSA-N 0 0 333.403 3.239 20 10 EGCDRN C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000756574639 1300524298 /nfs/dbraw/zinc/52/42/98/1300524298.db2.gz DZWTVLUZPYIIDI-RTHLEPHNSA-N 0 0 332.213 3.105 20 10 EGCDRN COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756607662 1300530624 /nfs/dbraw/zinc/53/06/24/1300530624.db2.gz GZVVLSYBSXXYQU-CHWSQXEVSA-N 0 0 346.383 3.427 20 10 EGCDRN C[C@H]([NH2+]Cc1ccn(C)c1)c1cc(Br)cc(F)c1[O-] ZINC000756636315 1300538697 /nfs/dbraw/zinc/53/86/97/1300538697.db2.gz IJGCUDRBCRTYFL-VIFPVBQESA-N 0 0 327.197 3.483 20 10 EGCDRN COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756637003 1300539281 /nfs/dbraw/zinc/53/92/81/1300539281.db2.gz KWQFFJSHXBXKQK-DZGCQCFKSA-N 0 0 330.384 3.209 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756658538 1300543511 /nfs/dbraw/zinc/54/35/11/1300543511.db2.gz KTEFXGMFNBBZKC-BXUZGUMPSA-N 0 0 338.398 3.112 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccnc(SC)c2)c1 ZINC000756662939 1300543536 /nfs/dbraw/zinc/54/35/36/1300543536.db2.gz FVEMGXPWARCUHI-NSHDSACASA-N 0 0 332.425 3.147 20 10 EGCDRN C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000756769782 1300562136 /nfs/dbraw/zinc/56/21/36/1300562136.db2.gz NJNCUHHPIAXVSO-WCBMZHEXSA-N 0 0 332.213 3.105 20 10 EGCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc(F)cc(F)c1O ZINC000756821203 1300571109 /nfs/dbraw/zinc/57/11/09/1300571109.db2.gz WXQIUZVGPXTLEG-SNVBAGLBSA-N 0 0 333.338 3.373 20 10 EGCDRN Cc1nc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)sc1C ZINC000756961427 1300599408 /nfs/dbraw/zinc/59/94/08/1300599408.db2.gz NEXWELGFRXNVFC-OAHLLOKOSA-N 0 0 344.484 3.074 20 10 EGCDRN CC[C@H]1CCC[C@H]1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000756986780 1300604657 /nfs/dbraw/zinc/60/46/57/1300604657.db2.gz VHQCFDLKUVFYBG-QFBILLFUSA-N 0 0 345.487 3.496 20 10 EGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC1(O)CCC1 ZINC000757532465 1300682145 /nfs/dbraw/zinc/68/21/45/1300682145.db2.gz NOUXEDHJKJCUCA-UHFFFAOYSA-N 0 0 346.452 3.348 20 10 EGCDRN COc1ccc(N(C)Cc2nnnn2Cc2ccccc2)cc1Cl ZINC000757856076 1300747128 /nfs/dbraw/zinc/74/71/28/1300747128.db2.gz JOOQDTZSBVTGJZ-UHFFFAOYSA-N 0 0 343.818 3.020 20 10 EGCDRN COc1ccc(N(C)C[C@@H](O)COc2cc(C)ccc2C)cc1F ZINC000757851149 1300747844 /nfs/dbraw/zinc/74/78/44/1300747844.db2.gz CUQBDUVDBCPVLO-MRXNPFEDSA-N 0 0 333.403 3.327 20 10 EGCDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)C2=CC(=O)CS2)c1 ZINC000757916510 1300756900 /nfs/dbraw/zinc/75/69/00/1300756900.db2.gz WKGGAELJWOIBKC-MRXNPFEDSA-N 0 0 347.436 3.284 20 10 EGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1nc(-c2cccs2)no1 ZINC000758558042 1300910800 /nfs/dbraw/zinc/91/08/00/1300910800.db2.gz DMHAOPNJWINMCH-MRVPVSSYSA-N 0 0 332.337 3.127 20 10 EGCDRN COC(=O)C12CCC(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)(CC1)C2 ZINC000759201212 1301039803 /nfs/dbraw/zinc/03/98/03/1301039803.db2.gz MRAKHLQKORSXLC-JAGHRAMZSA-N 0 0 344.455 3.053 20 10 EGCDRN CN1CCN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccc(F)cc21 ZINC000759213796 1301044178 /nfs/dbraw/zinc/04/41/78/1301044178.db2.gz UDLZWHREXCPLMM-CLTKARDFSA-N 0 0 331.778 3.370 20 10 EGCDRN Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)nc(C)n1 ZINC000880312895 1301045650 /nfs/dbraw/zinc/04/56/50/1301045650.db2.gz YJAVRFVHIFBFSW-UHFFFAOYSA-N 0 0 325.416 3.015 20 10 EGCDRN Cc1cc(C(=O)N[C@@](C)(CO)C2CC2)c(C)n1-c1ccccc1C ZINC000759540432 1301110555 /nfs/dbraw/zinc/11/05/55/1301110555.db2.gz DVDGAGNLENYPPQ-FQEVSTJZSA-N 0 0 326.440 3.293 20 10 EGCDRN Cc1nnc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)o1 ZINC000759624432 1301132732 /nfs/dbraw/zinc/13/27/32/1301132732.db2.gz ZBCYSJLRHNQYNY-LLVKDONJSA-N 0 0 342.374 3.416 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC34CCC4)cc2F)C[C@H](C)O1 ZINC000759717444 1301148535 /nfs/dbraw/zinc/14/85/35/1301148535.db2.gz HIUGPVZFDUQZED-IJEWVQPXSA-N 0 0 346.446 3.246 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCc1ccnn1C ZINC000759906398 1301186171 /nfs/dbraw/zinc/18/61/71/1301186171.db2.gz SXAHGFKOZHJCDX-UHFFFAOYSA-N 0 0 329.425 3.289 20 10 EGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1SCCS1 ZINC000760191354 1301232988 /nfs/dbraw/zinc/23/29/88/1301232988.db2.gz CMAMXGHQXSOMLF-UHFFFAOYSA-N 0 0 342.449 3.141 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)c1ncnc2[nH]ccc21 ZINC000760249085 1301240139 /nfs/dbraw/zinc/24/01/39/1301240139.db2.gz CSPQHNKACMRKIC-UHFFFAOYSA-N 0 0 347.216 3.453 20 10 EGCDRN C=Cc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1 ZINC000760351323 1301258618 /nfs/dbraw/zinc/25/86/18/1301258618.db2.gz IEDIFRKFDQGCFG-UHFFFAOYSA-N 0 0 349.434 3.284 20 10 EGCDRN O=C(NCc1ccccc1O)c1cc(N2CCCC2=O)ccc1Cl ZINC000760456914 1301274979 /nfs/dbraw/zinc/27/49/79/1301274979.db2.gz UTWOCSOUMIGONY-UHFFFAOYSA-N 0 0 344.798 3.102 20 10 EGCDRN COc1c(F)cc(F)cc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000760493277 1301282483 /nfs/dbraw/zinc/28/24/83/1301282483.db2.gz ODROSXRTXFSUSH-UHFFFAOYSA-N 0 0 335.354 3.361 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2Cc3cccc(O)c3C2)c(C)n1-c1ccccn1 ZINC000760616807 1301308856 /nfs/dbraw/zinc/30/88/56/1301308856.db2.gz FNQLDWNLZBOXJM-MRXNPFEDSA-N 0 0 347.418 3.092 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cccn2C)cc1 ZINC000760745718 1301334198 /nfs/dbraw/zinc/33/41/98/1301334198.db2.gz YMFKRNFAJXZJES-UHFFFAOYSA-N 0 0 328.460 3.213 20 10 EGCDRN CCOC(=O)C[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000760988683 1301378628 /nfs/dbraw/zinc/37/86/28/1301378628.db2.gz SNFHHZAUWOZNDV-CYBMUJFWSA-N 0 0 328.412 3.166 20 10 EGCDRN CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(F)F ZINC000881011481 1301390624 /nfs/dbraw/zinc/39/06/24/1301390624.db2.gz VJNBRTIRJSDKRD-KBPBESRZSA-N 0 0 342.386 3.127 20 10 EGCDRN CCN(CC)c1ccc(CN2C(=O)N[C@H](c3cccs3)C2=O)cc1 ZINC000761088251 1301401799 /nfs/dbraw/zinc/40/17/99/1301401799.db2.gz CMCHVWKCQIMNOG-MRXNPFEDSA-N 0 0 343.452 3.387 20 10 EGCDRN CC[C@H]1CN(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C[C@@H]1O ZINC000761121427 1301406195 /nfs/dbraw/zinc/40/61/95/1301406195.db2.gz GPDOFDBHLMVBOO-KXBFYZLASA-N 0 0 344.430 3.119 20 10 EGCDRN COc1ccc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1OC ZINC000761223214 1301424057 /nfs/dbraw/zinc/42/40/57/1301424057.db2.gz XOQLGQDJHTVVEY-UHFFFAOYSA-N 0 0 340.423 3.232 20 10 EGCDRN Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O ZINC000761225936 1301424073 /nfs/dbraw/zinc/42/40/73/1301424073.db2.gz NHOLZQNVNYKQOG-QGZVFWFLSA-N 0 0 330.815 3.027 20 10 EGCDRN NC(=O)c1ccc(Cc2noc(-c3ccc(-n4cccc4)cc3)n2)cc1 ZINC000761457508 1301472359 /nfs/dbraw/zinc/47/23/59/1301472359.db2.gz BYXAQLBZFWTPDB-UHFFFAOYSA-N 0 0 344.374 3.217 20 10 EGCDRN CCC(CC)[C@@H](C)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000761493696 1301483429 /nfs/dbraw/zinc/48/34/29/1301483429.db2.gz AZNJGCWQSXIDQU-OAHLLOKOSA-N 0 0 348.487 3.327 20 10 EGCDRN Cc1cc(C(=O)NCc2ccccc2O)c(Br)s1 ZINC000761495614 1301484767 /nfs/dbraw/zinc/48/47/67/1301484767.db2.gz COHMDFSTZMRYIV-UHFFFAOYSA-N 0 0 326.215 3.455 20 10 EGCDRN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCOc2cc(N(C)C)ccc21 ZINC000762340233 1301661645 /nfs/dbraw/zinc/66/16/45/1301661645.db2.gz ACKUWNCLQOBNPD-BFYDXBDKSA-N 0 0 345.487 3.035 20 10 EGCDRN CCC1(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CCOCC1 ZINC000762392475 1301667782 /nfs/dbraw/zinc/66/77/82/1301667782.db2.gz NAGCWQUUQBMAQL-UHFFFAOYSA-N 0 0 327.428 3.178 20 10 EGCDRN COc1cccc(CNc2cc(OC)c(Br)cn2)c1O ZINC000762624711 1301715243 /nfs/dbraw/zinc/71/52/43/1301715243.db2.gz MMTORYKTEBNBCB-UHFFFAOYSA-N 0 0 339.189 3.179 20 10 EGCDRN Cc1cc(C(=O)OCCn2ccnc2)c(C)n1-c1ccc(F)cc1 ZINC000763110247 1301825299 /nfs/dbraw/zinc/82/52/99/1301825299.db2.gz UBSQVKQZOIXWFI-UHFFFAOYSA-N 0 0 327.359 3.287 20 10 EGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC=C(F)C1 ZINC000764680802 1302117987 /nfs/dbraw/zinc/11/79/87/1302117987.db2.gz AUBWPROHXMEVQO-UHFFFAOYSA-N 0 0 335.448 3.009 20 10 EGCDRN CC1(C)CC(CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000764802934 1302139723 /nfs/dbraw/zinc/13/97/23/1302139723.db2.gz AOFSEWCQSRPQGV-UHFFFAOYSA-N 0 0 341.249 3.390 20 10 EGCDRN CCc1ncnc(NCc2cccc(Br)c2O)c1F ZINC000764934806 1302169701 /nfs/dbraw/zinc/16/97/01/1302169701.db2.gz MLXZYGYOZWLVPX-UHFFFAOYSA-N 0 0 326.169 3.258 20 10 EGCDRN Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000882980738 1302191289 /nfs/dbraw/zinc/19/12/89/1302191289.db2.gz RYBAQUIGRCHESF-MRVPVSSYSA-N 0 0 342.212 3.187 20 10 EGCDRN CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc2nonc21 ZINC000765061515 1302193438 /nfs/dbraw/zinc/19/34/38/1302193438.db2.gz XCABEEWAJKMOCH-UHFFFAOYSA-N 0 0 337.788 3.091 20 10 EGCDRN Cc1c(C[S@](C)=O)cccc1NCc1cc(F)cc(F)c1O ZINC000883065307 1302229429 /nfs/dbraw/zinc/22/94/29/1302229429.db2.gz HNMNHZYZVIPDMN-QFIPXVFZSA-N 0 0 325.380 3.469 20 10 EGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](CO)CC1CC1 ZINC000883075775 1302232082 /nfs/dbraw/zinc/23/20/82/1302232082.db2.gz LLDLBCVICZFACP-NSHDSACASA-N 0 0 334.641 3.059 20 10 EGCDRN C[C@@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765436888 1302264985 /nfs/dbraw/zinc/26/49/85/1302264985.db2.gz JEDBEVTVUWZQSC-DNVCBOLYSA-N 0 0 325.456 3.233 20 10 EGCDRN Cc1ccccc1CNC(=O)NCc1cccc(Br)c1O ZINC000765454182 1302267845 /nfs/dbraw/zinc/26/78/45/1302267845.db2.gz SWPNBPWHJSDEMR-UHFFFAOYSA-N 0 0 349.228 3.463 20 10 EGCDRN CCN(CC)c1ncc(CN2CCOc3cc(N(C)C)ccc32)s1 ZINC000765656172 1302298061 /nfs/dbraw/zinc/29/80/61/1302298061.db2.gz GSRXNSLFLNKPEH-UHFFFAOYSA-N 0 0 346.500 3.454 20 10 EGCDRN C[C@@H](NCc1nccn1CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000765686167 1302305346 /nfs/dbraw/zinc/30/53/46/1302305346.db2.gz OROMGQSMTIAFRF-GFCCVEGCSA-N 0 0 326.366 3.362 20 10 EGCDRN CCCCSCC(=O)NCc1cccc(Br)c1O ZINC000765753855 1302317758 /nfs/dbraw/zinc/31/77/58/1302317758.db2.gz RAHXTSWVCDESRZ-UHFFFAOYSA-N 0 0 332.263 3.304 20 10 EGCDRN O=C(NCc1cccc(Br)c1O)c1ccnc(C2CC2)c1 ZINC000765757639 1302318623 /nfs/dbraw/zinc/31/86/23/1302318623.db2.gz SGAGSEMQJGXFEV-UHFFFAOYSA-N 0 0 347.212 3.357 20 10 EGCDRN CC(C)n1cc2c(n1)[C@@H](NC(=O)NCc1ccccc1O)CCC2 ZINC000765884829 1302345669 /nfs/dbraw/zinc/34/56/69/1302345669.db2.gz XWWSRUSBVLNCAF-HNNXBMFYSA-N 0 0 328.416 3.046 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3CCCOC3)ccc21 ZINC000766306521 1302427833 /nfs/dbraw/zinc/42/78/33/1302427833.db2.gz ZVBWUMZIBWJGLM-INIZCTEOSA-N 0 0 345.439 3.488 20 10 EGCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000766363717 1302438078 /nfs/dbraw/zinc/43/80/78/1302438078.db2.gz STAQLPXNWSABBU-YJBOKZPZSA-N 0 0 336.451 3.493 20 10 EGCDRN COc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000766414988 1302448119 /nfs/dbraw/zinc/44/81/19/1302448119.db2.gz JUWPSJDRZYAQDG-UHFFFAOYSA-N 0 0 341.367 3.456 20 10 EGCDRN COc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000766910420 1302545249 /nfs/dbraw/zinc/54/52/49/1302545249.db2.gz OXTKWTRNIXKABM-LBPRGKRZSA-N 0 0 343.383 3.160 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@](C)(O)C2)c(C)n1-c1ccccc1C ZINC000767129497 1302589221 /nfs/dbraw/zinc/58/92/21/1302589221.db2.gz WWFMHMSAXQFXIB-FQEVSTJZSA-N 0 0 326.440 3.390 20 10 EGCDRN Cc1cc(-c2noc(COC(=O)C3=CC(=O)CS3)n2)ccc1F ZINC000767346358 1302645931 /nfs/dbraw/zinc/64/59/31/1302645931.db2.gz ONUVLBQAPNBRBK-UHFFFAOYSA-N 0 0 334.328 3.308 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(O)c(F)c2)cc1F ZINC000768040672 1302808681 /nfs/dbraw/zinc/80/86/81/1302808681.db2.gz KYLHVULNDAUOFE-UHFFFAOYSA-N 0 0 334.366 3.447 20 10 EGCDRN [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)cc(F)c2[O-])N1 ZINC000768266372 1302870683 /nfs/dbraw/zinc/87/06/83/1302870683.db2.gz QKRVPMIJNPCWRO-CYBMUJFWSA-N 0 0 331.738 3.031 20 10 EGCDRN O=C(NCc1ccccc1O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000768366766 1302888371 /nfs/dbraw/zinc/88/83/71/1302888371.db2.gz IWWGNTQNYUXGKI-UHFFFAOYSA-N 0 0 344.374 3.056 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000768395747 1302895024 /nfs/dbraw/zinc/89/50/24/1302895024.db2.gz KSBPDWIFROXVJG-UHFFFAOYSA-N 0 0 341.436 3.415 20 10 EGCDRN CC[C@@H](C[C@H](C)CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000768881182 1303005311 /nfs/dbraw/zinc/00/53/11/1303005311.db2.gz NQRRGASBOJTROI-BBRMVZONSA-N 0 0 329.444 3.016 20 10 EGCDRN CC1(C)CN=C(N2CCN(Cc3c(O)cccc3Cl)CC2)S1 ZINC000768887374 1303007515 /nfs/dbraw/zinc/00/75/15/1303007515.db2.gz WTQGKDUNNMLDSW-UHFFFAOYSA-N 0 0 339.892 3.045 20 10 EGCDRN COc1ccc(N2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)cc1F ZINC000769001023 1303030127 /nfs/dbraw/zinc/03/01/27/1303030127.db2.gz LJOCEHHQDSNWOA-SFHVURJKSA-N 0 0 346.377 3.194 20 10 EGCDRN CC(C)(C)c1cc(CN2CCCNC(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000769116892 1303050921 /nfs/dbraw/zinc/05/09/21/1303050921.db2.gz XLVBSFKJIBPRHP-UHFFFAOYSA-N 0 0 332.488 3.309 20 10 EGCDRN COCC[N@H+](CCCc1ccccc1)Cc1c(O)cccc1OC ZINC000769146282 1303056082 /nfs/dbraw/zinc/05/60/82/1303056082.db2.gz RDUBUWLEQNBLNL-UHFFFAOYSA-N 0 0 329.440 3.482 20 10 EGCDRN CCO[C@@H](CC)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000769291311 1303085733 /nfs/dbraw/zinc/08/57/33/1303085733.db2.gz MHNQSJQAQCMYGC-AWEZNQCLSA-N 0 0 344.249 3.318 20 10 EGCDRN CS[C@@H](CO)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000769341374 1303097322 /nfs/dbraw/zinc/09/73/22/1303097322.db2.gz NZPXFRAOHAJCRD-KSSFIOAISA-N 0 0 346.496 3.245 20 10 EGCDRN CC(C)OC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000769801285 1303177202 /nfs/dbraw/zinc/17/72/02/1303177202.db2.gz AFUDLNOSJWWVQL-INIZCTEOSA-N 0 0 337.460 3.021 20 10 EGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1c(O)cccc1O ZINC000770402190 1303262834 /nfs/dbraw/zinc/26/28/34/1303262834.db2.gz UPRBPVWBKGYYJY-UHFFFAOYSA-N 0 0 326.396 3.018 20 10 EGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000770666567 1303302579 /nfs/dbraw/zinc/30/25/79/1303302579.db2.gz QAOIHSZEOKZOON-UHFFFAOYSA-N 0 0 331.840 3.283 20 10 EGCDRN COc1ccc(N2CCN(C(=O)CCCC(F)(F)F)CC2)cc1F ZINC000770777180 1303316869 /nfs/dbraw/zinc/31/68/69/1303316869.db2.gz SHIGWTQMVTXHAK-UHFFFAOYSA-N 0 0 348.340 3.216 20 10 EGCDRN CSc1cc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1 ZINC000772103714 1303487063 /nfs/dbraw/zinc/48/70/63/1303487063.db2.gz RTTFTTQYFJSOKU-UHFFFAOYSA-N 0 0 344.484 3.211 20 10 EGCDRN Nc1c(Cl)cc(N2C(=O)N[C@H](c3ccccc3)C2=O)cc1Cl ZINC000772118729 1303489064 /nfs/dbraw/zinc/48/90/64/1303489064.db2.gz BVUIMLBFFRYODW-CYBMUJFWSA-N 0 0 336.178 3.373 20 10 EGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCCC3(C)C)CC2)cc1F ZINC000772140420 1303494628 /nfs/dbraw/zinc/49/46/28/1303494628.db2.gz AEXTZRYEGCQHNQ-HNNXBMFYSA-N 0 0 334.435 3.309 20 10 EGCDRN O=C(NCCCSc1nccs1)Nc1cnn(C(F)F)c1 ZINC000772477913 1303537624 /nfs/dbraw/zinc/53/76/24/1303537624.db2.gz BRCUCPMGLYXHAO-UHFFFAOYSA-N 0 0 333.389 3.039 20 10 EGCDRN COc1cc(SC)ccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000772647969 1303558346 /nfs/dbraw/zinc/55/83/46/1303558346.db2.gz HJKXDZPPVNHMGA-UHFFFAOYSA-N 0 0 348.424 3.193 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H](O)c1cccnc1 ZINC000772731502 1303569302 /nfs/dbraw/zinc/56/93/02/1303569302.db2.gz TXTQYTZJGQMKMA-HXUWFJFHSA-N 0 0 349.434 3.261 20 10 EGCDRN CCc1cccc(OCCOC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000772775105 1303575029 /nfs/dbraw/zinc/57/50/29/1303575029.db2.gz LNYUHLBCWUFTMP-VQHVLOKHSA-N 0 0 328.364 3.296 20 10 EGCDRN Cc1nc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000772877146 1303588864 /nfs/dbraw/zinc/58/88/64/1303588864.db2.gz UZEXJRMYHJRYSB-ZDUSSCGKSA-N 0 0 331.485 3.447 20 10 EGCDRN C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(N(C)C)cc1 ZINC000772996954 1303603622 /nfs/dbraw/zinc/60/36/22/1303603622.db2.gz UFUGPMYADWTTJP-ZDUSSCGKSA-N 0 0 337.423 3.128 20 10 EGCDRN CCOc1ccc(OCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000772998419 1303603771 /nfs/dbraw/zinc/60/37/71/1303603771.db2.gz JNYDLUAOSMZLAY-OAHLLOKOSA-N 0 0 342.439 3.408 20 10 EGCDRN C[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccc(N(C)C)cc1 ZINC000772999013 1303604256 /nfs/dbraw/zinc/60/42/56/1303604256.db2.gz YZQOABIWTDQNJA-OAHLLOKOSA-N 0 0 338.451 3.498 20 10 EGCDRN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000773001223 1303604793 /nfs/dbraw/zinc/60/47/93/1303604793.db2.gz RNKINGIAICQTNZ-OAHLLOKOSA-N 0 0 334.423 3.429 20 10 EGCDRN COCCOc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773010982 1303607215 /nfs/dbraw/zinc/60/72/15/1303607215.db2.gz VAGNJBTZOJWIFN-OAHLLOKOSA-N 0 0 342.439 3.269 20 10 EGCDRN C[C@@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccc(N(C)C)cc1 ZINC000773016431 1303608056 /nfs/dbraw/zinc/60/80/56/1303608056.db2.gz CZWKVAKHTPZZGM-OAHLLOKOSA-N 0 0 334.423 3.429 20 10 EGCDRN C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000773015601 1303608277 /nfs/dbraw/zinc/60/82/77/1303608277.db2.gz QIXXAODQYLRJAH-ZDUSSCGKSA-N 0 0 335.407 3.497 20 10 EGCDRN C[C@H](NC(=O)CCNC(=O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773020766 1303610596 /nfs/dbraw/zinc/61/05/96/1303610596.db2.gz VQGHOURWSADJSC-HNNXBMFYSA-N 0 0 345.487 3.016 20 10 EGCDRN C[C@@H](NC(=O)NCCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773113566 1303626942 /nfs/dbraw/zinc/62/69/42/1303626942.db2.gz SVOYGOJHEIHWGY-CQSZACIVSA-N 0 0 329.419 3.495 20 10 EGCDRN COCc1ccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773190120 1303639567 /nfs/dbraw/zinc/63/95/67/1303639567.db2.gz QZCCUSJPHCFSRB-OAHLLOKOSA-N 0 0 341.455 3.459 20 10 EGCDRN C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000773188744 1303640227 /nfs/dbraw/zinc/64/02/27/1303640227.db2.gz SDTALDHCHZNRPT-KSSFIOAISA-N 0 0 339.439 3.117 20 10 EGCDRN COc1cccc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773196259 1303640653 /nfs/dbraw/zinc/64/06/53/1303640653.db2.gz OEFPVQGTOPAFEV-OAHLLOKOSA-N 0 0 341.455 3.364 20 10 EGCDRN C[C@@H](COCC(F)(F)F)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773247778 1303649460 /nfs/dbraw/zinc/64/94/60/1303649460.db2.gz YEXLQLDBBNESHO-RYUDHWBXSA-N 0 0 347.381 3.080 20 10 EGCDRN C[C@@H](NC(=O)N[C@@H](C)c1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000773438909 1303681283 /nfs/dbraw/zinc/68/12/83/1303681283.db2.gz ZUGOVTIRRSMUCC-OLZOCXBDSA-N 0 0 330.407 3.408 20 10 EGCDRN Cc1nnc([C@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773444310 1303681834 /nfs/dbraw/zinc/68/18/34/1303681834.db2.gz DAXAQJLIJPHKGJ-MNOVXSKESA-N 0 0 333.461 3.034 20 10 EGCDRN C[C@H](NC(=O)NCC[C@H]1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773442960 1303681940 /nfs/dbraw/zinc/68/19/40/1303681940.db2.gz TWNKPQHQZOAQSS-PMPSAXMXSA-N 0 0 333.476 3.318 20 10 EGCDRN COCC1(C)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000773494929 1303692697 /nfs/dbraw/zinc/69/26/97/1303692697.db2.gz MPTGJELPEGBASR-UHFFFAOYSA-N 0 0 345.487 3.245 20 10 EGCDRN C[C@@H](NC(=O)N[C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773614513 1303713845 /nfs/dbraw/zinc/71/38/45/1303713845.db2.gz AMJVDIJEWPMAJL-PBHICJAKSA-N 0 0 339.439 3.117 20 10 EGCDRN C[C@H](NC(=O)NC[C@@](C)(O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000773622536 1303715723 /nfs/dbraw/zinc/71/57/23/1303715723.db2.gz FYFLKBACDRUHFY-SCLBCKFNSA-N 0 0 347.484 3.082 20 10 EGCDRN Cc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1CCC(C)C ZINC000773744785 1303732832 /nfs/dbraw/zinc/73/28/32/1303732832.db2.gz VYNLPVKBILELFH-CYBMUJFWSA-N 0 0 345.443 3.010 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2cnco2)cc1 ZINC000773741034 1303732898 /nfs/dbraw/zinc/73/28/98/1303732898.db2.gz SDZFGZLQNLPBBV-GFCCVEGCSA-N 0 0 338.363 3.114 20 10 EGCDRN CCN(C)c1ccc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000773752623 1303734373 /nfs/dbraw/zinc/73/43/73/1303734373.db2.gz INSQABTUYJBHPP-UHFFFAOYSA-N 0 0 346.496 3.178 20 10 EGCDRN CCN(C)c1ccc(CN2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000773754435 1303735033 /nfs/dbraw/zinc/73/50/33/1303735033.db2.gz DXINGJFGOOZLJN-UHFFFAOYSA-N 0 0 347.400 3.161 20 10 EGCDRN CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c(Cl)c2)SC1=S ZINC000774105147 1303774557 /nfs/dbraw/zinc/77/45/57/1303774557.db2.gz LFLOKVLBWSKZAN-POHAHGRESA-N 0 0 328.802 3.469 20 10 EGCDRN CCC(C)(C)NC(=S)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000774162792 1303781762 /nfs/dbraw/zinc/78/17/62/1303781762.db2.gz SVHZFHWPSHANJW-CQSZACIVSA-N 0 0 335.517 3.237 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)CCC(C)C ZINC000774664822 1303844556 /nfs/dbraw/zinc/84/45/56/1303844556.db2.gz OVYWTGCDIHIDDX-INIZCTEOSA-N 0 0 348.487 3.462 20 10 EGCDRN 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/nfs/dbraw/zinc/44/47/55/455444755.db2.gz RKLOGBVHEQFXDO-FQEVSTJZSA-N 0 0 343.423 3.291 20 10 EGCDRN C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000184919209 455472341 /nfs/dbraw/zinc/47/23/41/455472341.db2.gz ZJKPOQJSATZGPZ-HNAYVOBHSA-N 0 0 344.430 3.255 20 10 EGCDRN COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000184946843 455476152 /nfs/dbraw/zinc/47/61/52/455476152.db2.gz GTVZSAKBAFLYHZ-FZKQIMNGSA-N 0 0 331.412 3.102 20 10 EGCDRN COc1cccc(CNC(=O)[C@H](C)c2cn(C)c3ccccc23)c1O ZINC000184977429 455480427 /nfs/dbraw/zinc/48/04/27/455480427.db2.gz XHKFFSZZKNSTFQ-CYBMUJFWSA-N 0 0 338.407 3.312 20 10 EGCDRN COc1ccc(O)c(CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000191532718 455494506 /nfs/dbraw/zinc/49/45/06/455494506.db2.gz GCGJYECJEAHIPU-NSHDSACASA-N 0 0 343.358 3.441 20 10 EGCDRN CCOc1ccc(O)c(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000191678828 455509648 /nfs/dbraw/zinc/50/96/48/455509648.db2.gz XMJDGUVOOHMUGN-UHFFFAOYSA-N 0 0 346.402 3.368 20 10 EGCDRN COCCN1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000185145242 455509993 /nfs/dbraw/zinc/50/99/93/455509993.db2.gz YCJWABGLUTUJHO-LLVKDONJSA-N 0 0 347.286 3.460 20 10 EGCDRN COc1cccc(CNC(=O)[C@H](C)CCc2cccc(F)c2)c1O ZINC000175928746 455517002 /nfs/dbraw/zinc/51/70/02/455517002.db2.gz JQMKWFVMQDTPNS-CYBMUJFWSA-N 0 0 331.387 3.425 20 10 EGCDRN Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(Cl)c3[O-])C2=O)cc1 ZINC000191808999 455522259 /nfs/dbraw/zinc/52/22/59/455522259.db2.gz SGMAMPRQHOHLHR-KRWDZBQOSA-N 0 0 344.842 3.245 20 10 EGCDRN CCC[C@H](CCO)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000267273837 455528683 /nfs/dbraw/zinc/52/86/83/455528683.db2.gz WDSAJUUHIPULHC-MRXNPFEDSA-N 0 0 329.444 3.018 20 10 EGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000182521723 455532094 /nfs/dbraw/zinc/53/20/94/455532094.db2.gz UGYNWFWUEVCLKC-UHFFFAOYSA-N 0 0 336.391 3.388 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161520648 455578368 /nfs/dbraw/zinc/57/83/68/455578368.db2.gz ZDMLVSPRRAUJMB-MRXNPFEDSA-N 0 0 333.476 3.242 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCC(C)(C)CCCO)cc1 ZINC000271336974 455602659 /nfs/dbraw/zinc/60/26/59/455602659.db2.gz BIEZGDMMQFBHLX-UHFFFAOYSA-N 0 0 335.492 3.131 20 10 EGCDRN O=C(C[C@@H]1CCCN1C(=O)c1cccc(O)c1O)c1cccs1 ZINC000185809271 455626618 /nfs/dbraw/zinc/62/66/18/455626618.db2.gz SFLOMMMOXWCRSB-NSHDSACASA-N 0 0 331.393 3.037 20 10 EGCDRN COc1cccc(C2(CNC(=O)N(C)Cc3ccccc3O)CC2)c1 ZINC000292498181 455679533 /nfs/dbraw/zinc/67/95/33/455679533.db2.gz FMFARJCXIYUIPX-UHFFFAOYSA-N 0 0 340.423 3.274 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Br)ccc1O ZINC000186114728 455696817 /nfs/dbraw/zinc/69/68/17/455696817.db2.gz YUVUHXDYHGZDHT-SKDRFNHKSA-N 0 0 336.233 3.086 20 10 EGCDRN C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186150012 455703676 /nfs/dbraw/zinc/70/36/76/455703676.db2.gz SMGYNGQBTDWSIN-SNVBAGLBSA-N 0 0 334.243 3.139 20 10 EGCDRN COc1c(O)c(CN2CC(C)(C)[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000292824690 455762901 /nfs/dbraw/zinc/76/29/01/455762901.db2.gz QKASKKZLBZHUOD-KRWDZBQOSA-N 0 0 343.383 3.287 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000186419168 455764060 /nfs/dbraw/zinc/76/40/60/455764060.db2.gz MJXWRGQSDAZCCF-AWEZNQCLSA-N 0 0 334.460 3.072 20 10 EGCDRN Cc1cc(C)c(OCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000186418698 455764346 /nfs/dbraw/zinc/76/43/46/455764346.db2.gz RSIHWDGTVTUALT-OAHLLOKOSA-N 0 0 343.423 3.149 20 10 EGCDRN COc1c([O-])c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278142001 455769254 /nfs/dbraw/zinc/76/92/54/455769254.db2.gz BBMFCIQYYFFDEB-OCCSQVGLSA-N 0 0 338.429 3.169 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@]23CCOC3=O)cc1 ZINC000186460965 455773571 /nfs/dbraw/zinc/77/35/71/455773571.db2.gz CXJBRROVGKKHHK-FQEVSTJZSA-N 0 0 338.407 3.016 20 10 EGCDRN CO[C@@H](c1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1)C1CC1 ZINC000293461419 455786971 /nfs/dbraw/zinc/78/69/71/455786971.db2.gz QUGGHAYVOOEOOD-CHHNCHTKSA-N 0 0 341.411 3.174 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(F)c(F)c1[O-] ZINC000293754068 455795719 /nfs/dbraw/zinc/79/57/19/455795719.db2.gz QPQXRNIPVKGOIV-CYBMUJFWSA-N 0 0 348.393 3.358 20 10 EGCDRN Cc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])nc(N2CCCC2)n1 ZINC000293761886 455797310 /nfs/dbraw/zinc/79/73/10/455797310.db2.gz SEPMFARYUXRRMX-GFCCVEGCSA-N 0 0 348.397 3.220 20 10 EGCDRN COc1cccc(CNC(=O)C(C)(C)c2ccccc2OC)c1O ZINC000269200623 455809709 /nfs/dbraw/zinc/80/97/09/455809709.db2.gz HRXIZOYICUTSBU-UHFFFAOYSA-N 0 0 329.396 3.003 20 10 EGCDRN CCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278299546 455810461 /nfs/dbraw/zinc/81/04/61/455810461.db2.gz VPADHTLRWQXJMU-CQSZACIVSA-N 0 0 338.404 3.090 20 10 EGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000269227338 455816003 /nfs/dbraw/zinc/81/60/03/455816003.db2.gz SEMQCQMNTOLJFA-RYUDHWBXSA-N 0 0 331.334 3.125 20 10 EGCDRN O=C(c1ccccc1)c1ccccc1NC[C@@H]1CCCS(=O)(=O)C1 ZINC000285280038 455816834 /nfs/dbraw/zinc/81/68/34/455816834.db2.gz UNJZLKUDTSOMFA-HNNXBMFYSA-N 0 0 343.448 3.154 20 10 EGCDRN CC(C)(Oc1cccc(Cl)c1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000269231586 455817091 /nfs/dbraw/zinc/81/70/91/455817091.db2.gz TWQXOEQGKYGOBP-UHFFFAOYSA-N 0 0 349.814 3.268 20 10 EGCDRN CC/C(C)=C/C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000294457856 455817453 /nfs/dbraw/zinc/81/74/53/455817453.db2.gz MNDBQKNUYNZXFL-ISJXMTRFSA-N 0 0 334.435 3.412 20 10 EGCDRN CCCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000294551888 455819230 /nfs/dbraw/zinc/81/92/30/455819230.db2.gz YKGBDXWCOOOFHF-UHFFFAOYSA-N 0 0 327.428 3.498 20 10 EGCDRN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c(F)ccc(O)c1O ZINC000294872912 455831350 /nfs/dbraw/zinc/83/13/50/455831350.db2.gz FFEKWAQZJHRDTO-WFASDCNBSA-N 0 0 349.333 3.026 20 10 EGCDRN CC(C)c1nnc(NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000269318311 455833779 /nfs/dbraw/zinc/83/37/79/455833779.db2.gz GCNCXCFADZAGJR-UHFFFAOYSA-N 0 0 336.436 3.249 20 10 EGCDRN Cc1cc(C)c([C@@H](C)Nc2ccc(OCCC(N)=O)cc2)c(O)c1 ZINC000294973408 455834224 /nfs/dbraw/zinc/83/42/24/455834224.db2.gz ZNONWSLPDIPYRE-CQSZACIVSA-N 0 0 328.412 3.436 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCO[C@H](C)C3)cc2)CC1 ZINC000272059456 455835190 /nfs/dbraw/zinc/83/51/90/455835190.db2.gz JTZFWIJURORFGQ-SJLPKXTDSA-N 0 0 330.472 3.354 20 10 EGCDRN COc1c(O)c(CN2CCc3cc(F)ccc3C2)ccc1[N+](=O)[O-] ZINC000278514924 455838764 /nfs/dbraw/zinc/83/87/64/455838764.db2.gz QORSZXXXTDVPHT-UHFFFAOYSA-N 0 0 332.331 3.006 20 10 EGCDRN Cc1ccc(NCc2ccccc2O)c(C)c1S(=O)(=O)NC1CC1 ZINC000285430983 455845025 /nfs/dbraw/zinc/84/50/25/455845025.db2.gz FGFHNBXZRVFTHG-UHFFFAOYSA-N 0 0 346.452 3.062 20 10 EGCDRN COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278876201 455851292 /nfs/dbraw/zinc/85/12/92/455851292.db2.gz NJEOAGYBEOSCBC-LLVKDONJSA-N 0 0 332.356 3.168 20 10 EGCDRN c1n[nH]nc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000295682266 455857267 /nfs/dbraw/zinc/85/72/67/455857267.db2.gz HGBFBRORETYXKT-OAHLLOKOSA-N 0 0 341.440 3.140 20 10 EGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000254993378 455857552 /nfs/dbraw/zinc/85/75/52/455857552.db2.gz DAIPPVKXFXPKIZ-SREVYHEPSA-N 0 0 327.315 3.122 20 10 EGCDRN O=C(/C=C\c1cncc(F)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000255266996 455863760 /nfs/dbraw/zinc/86/37/60/455863760.db2.gz KJAFVITXDUQAGJ-JTHGQSKGSA-N 0 0 337.398 3.245 20 10 EGCDRN CCOc1cccc(CNc2ccc(F)c(N3CCOC3=O)c2)c1O ZINC000279618931 455869031 /nfs/dbraw/zinc/86/90/31/455869031.db2.gz AQNRNMBYUNOIFR-UHFFFAOYSA-N 0 0 346.358 3.499 20 10 EGCDRN Cc1cc(C(=O)N2CCCC[C@@H]2C[C@H](C)O)c(C)n1-c1ccccn1 ZINC000279756829 455872540 /nfs/dbraw/zinc/87/25/40/455872540.db2.gz LPSLUUAZGKOSHT-DOTOQJQBSA-N 0 0 341.455 3.255 20 10 EGCDRN NC(=O)CCSc1ccccc1N[C@H]1CCc2cccc(O)c21 ZINC000296252967 455891532 /nfs/dbraw/zinc/89/15/32/455891532.db2.gz BIGWIZDYOPWLHA-AWEZNQCLSA-N 0 0 328.437 3.459 20 10 EGCDRN Oc1cccc2c1[C@@H](Nc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000296495759 455955164 /nfs/dbraw/zinc/95/51/64/455955164.db2.gz PUZQOLWSRIUFMP-INIZCTEOSA-N 0 0 328.387 3.467 20 10 EGCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(F)cc1[O-] ZINC000285996592 455957317 /nfs/dbraw/zinc/95/73/17/455957317.db2.gz IJZWLZAKXUIRTI-SUMWQHHRSA-N 0 0 330.403 3.277 20 10 EGCDRN C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000280421317 455967454 /nfs/dbraw/zinc/96/74/54/455967454.db2.gz ZFAVJSPLVVCPLC-YLJYHZDGSA-N 0 0 330.472 3.057 20 10 EGCDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270648981 456003992 /nfs/dbraw/zinc/00/39/92/456003992.db2.gz AZZZSQCAOFZJPP-AUUYWEPGSA-N 0 0 328.456 3.249 20 10 EGCDRN CCc1noc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000296673570 456007041 /nfs/dbraw/zinc/00/70/41/456007041.db2.gz GDHRGSCHIPMELO-UHFFFAOYSA-N 0 0 343.431 3.286 20 10 EGCDRN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000270698739 456017133 /nfs/dbraw/zinc/01/71/33/456017133.db2.gz ZOTIKPWBUXKTGJ-DZGCQCFKSA-N 0 0 348.406 3.340 20 10 EGCDRN CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000286881982 456055759 /nfs/dbraw/zinc/05/57/59/456055759.db2.gz CKWJVRZUOMBLDR-SNVBAGLBSA-N 0 0 341.185 3.121 20 10 EGCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)c1OC ZINC000287056984 456060511 /nfs/dbraw/zinc/06/05/11/456060511.db2.gz SFACEGXKSKLYPX-UHFFFAOYSA-N 0 0 346.402 3.147 20 10 EGCDRN CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000272760469 456063051 /nfs/dbraw/zinc/06/30/51/456063051.db2.gz PGUULDCTBWNESK-RDTXWAMCSA-N 0 0 336.451 3.349 20 10 EGCDRN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cccc(Cl)c1[O-] ZINC000287210163 456063728 /nfs/dbraw/zinc/06/37/28/456063728.db2.gz WXZQILPISVHMGI-CQSZACIVSA-N 0 0 345.892 3.444 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)Cc2ncccc2F)C2CC2)cc1 ZINC000280894128 456074378 /nfs/dbraw/zinc/07/43/78/456074378.db2.gz SMYKNVBBGDDHPQ-UHFFFAOYSA-N 0 0 327.403 3.020 20 10 EGCDRN CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc(Cl)c1[O-] ZINC000287664560 456074767 /nfs/dbraw/zinc/07/47/67/456074767.db2.gz LVNLVXNORSYOSK-WFASDCNBSA-N 0 0 341.835 3.008 20 10 EGCDRN CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287866408 456080397 /nfs/dbraw/zinc/08/03/97/456080397.db2.gz XRNSRZANPUHXBA-LBPRGKRZSA-N 0 0 329.231 3.409 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCOC(C)C ZINC000272871990 456096109 /nfs/dbraw/zinc/09/61/09/456096109.db2.gz SATJLQCZNGZMCW-UHFFFAOYSA-N 0 0 335.492 3.489 20 10 EGCDRN Cc1nc(-c2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)co1 ZINC000289450201 456126306 /nfs/dbraw/zinc/12/63/06/456126306.db2.gz SRYZRJPLMHFNII-QPJJXVBHSA-N 0 0 338.367 3.040 20 10 EGCDRN Cc1cccc(CNc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1O ZINC000289532876 456128892 /nfs/dbraw/zinc/12/88/92/456128892.db2.gz QAJABDVHWJRFBY-UHFFFAOYSA-N 0 0 348.468 3.390 20 10 EGCDRN Cc1cc(O)c(CNc2ccc(F)c(N3C(=O)CCC3=O)c2)cc1C ZINC000289814251 456144252 /nfs/dbraw/zinc/14/42/52/456144252.db2.gz NSVUWAFHUWSYPG-UHFFFAOYSA-N 0 0 342.370 3.414 20 10 EGCDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cc(-c2ccccc2)ccc1O ZINC000271173931 456154181 /nfs/dbraw/zinc/15/41/81/456154181.db2.gz FLCVMAYYDRJQDG-USGALAMMSA-N 0 0 329.465 3.401 20 10 EGCDRN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000271207182 456173232 /nfs/dbraw/zinc/17/32/32/456173232.db2.gz WOGXWZVQVFSKSY-GFCCVEGCSA-N 0 0 344.238 3.474 20 10 EGCDRN CCCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000236734761 456176643 /nfs/dbraw/zinc/17/66/43/456176643.db2.gz QEBLPIUMCZCZBC-HNNXBMFYSA-N 0 0 339.439 3.077 20 10 EGCDRN COc1ncc(Cl)c(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301690522 456188573 /nfs/dbraw/zinc/18/85/73/456188573.db2.gz KDVYYVYKQFESHA-GFCCVEGCSA-N 0 0 348.834 3.148 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCOCc1ccccc1 ZINC000273158688 456194958 /nfs/dbraw/zinc/19/49/58/456194958.db2.gz JXENSORWUSVTMM-HNNXBMFYSA-N 0 0 343.423 3.142 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000273174111 456201133 /nfs/dbraw/zinc/20/11/33/456201133.db2.gz MVRVDSXYPZUEFX-QWHCGFSZSA-N 0 0 331.387 3.478 20 10 EGCDRN 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KLEMOIVWMKBBLY-LLVKDONJSA-N 0 0 344.249 3.176 20 10 EGCDRN CN(Cc1ccccc1O)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000755951287 1300420993 /nfs/dbraw/zinc/42/09/93/1300420993.db2.gz GYRHPKMEVWWNRA-UHFFFAOYSA-N 0 0 329.780 3.005 20 10 EGCDRN C[C@@](O)(CC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000755972272 1300422150 /nfs/dbraw/zinc/42/21/50/1300422150.db2.gz PRIPBODGZXDRIG-LJQANCHMSA-N 0 0 329.396 3.065 20 10 EGCDRN O=C([O-])[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1cccc(Cl)c1 ZINC000756299382 1300464003 /nfs/dbraw/zinc/46/40/03/1300464003.db2.gz FJVVDWGCZGMQKV-MRXNPFEDSA-N 0 0 345.826 3.308 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Br)c(F)cc1[O-] ZINC000756403786 1300484658 /nfs/dbraw/zinc/48/46/58/1300484658.db2.gz RBSGXBAIUITDGR-VHSXEESVSA-N 0 0 342.212 3.230 20 10 EGCDRN COc1ccc(OC)c(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756482246 1300502938 /nfs/dbraw/zinc/50/29/38/1300502938.db2.gz IXMVKZYEJWYLGS-LBPRGKRZSA-N 0 0 346.383 3.211 20 10 EGCDRN COc1ccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000756493933 1300505971 /nfs/dbraw/zinc/50/59/71/1300505971.db2.gz BBRPFDAWDDFFDY-LBPRGKRZSA-N 0 0 346.383 3.211 20 10 EGCDRN C[C@H]([NH2+]Cc1cc[nH]n1)c1cc(Br)cc(Cl)c1[O-] ZINC000756554115 1300519914 /nfs/dbraw/zinc/51/99/14/1300519914.db2.gz MTMWFWRZSHRPHS-ZETCQYMHSA-N 0 0 330.613 3.382 20 10 EGCDRN CCN(C)c1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756554226 1300520135 /nfs/dbraw/zinc/52/01/35/1300520135.db2.gz OEXOYSLCWHJQIC-AWEZNQCLSA-N 0 0 342.439 3.486 20 10 EGCDRN C[C@@H]([NH2+]CC1(O)CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756564151 1300522921 /nfs/dbraw/zinc/52/29/21/1300522921.db2.gz QKRHVESREMTZQS-MRVPVSSYSA-N 0 0 334.641 3.374 20 10 EGCDRN Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756584748 1300526508 /nfs/dbraw/zinc/52/65/08/1300526508.db2.gz GHBSTPDOJHSDHL-BMIGLBTASA-N 0 0 328.372 3.127 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756614652 1300531304 /nfs/dbraw/zinc/53/13/04/1300531304.db2.gz UFNFZQOIOIKHQD-DCAQKATOSA-N 0 0 345.256 3.427 20 10 EGCDRN COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756635673 1300537731 /nfs/dbraw/zinc/53/77/31/1300537731.db2.gz GQVPGXTWBJYWTR-PBHICJAKSA-N 0 0 343.423 3.087 20 10 EGCDRN C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756639119 1300538370 /nfs/dbraw/zinc/53/83/70/1300538370.db2.gz XDJKXLYOLDJUKG-NSHDSACASA-N 0 0 326.387 3.112 20 10 EGCDRN C[C@@H](NC(=O)CN(C)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000756655429 1300542630 /nfs/dbraw/zinc/54/26/30/1300542630.db2.gz STEIPBUSMFIQFF-GFCCVEGCSA-N 0 0 346.814 3.382 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756707630 1300550720 /nfs/dbraw/zinc/55/07/20/1300550720.db2.gz LWBWQXPSKBWSTK-XIKOKIGWSA-N 0 0 328.368 3.265 20 10 EGCDRN CCn1cc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])cn1 ZINC000756734032 1300557027 /nfs/dbraw/zinc/55/70/27/1300557027.db2.gz SJVPKQWFRRLNTF-SECBINFHSA-N 0 0 342.212 3.361 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000756758108 1300560782 /nfs/dbraw/zinc/56/07/82/1300560782.db2.gz HCIMSODWDWJZEM-HFSCJMQWSA-N 0 0 337.419 3.415 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@H]1CN(C)CCO1 ZINC000756757859 1300560839 /nfs/dbraw/zinc/56/08/39/1300560839.db2.gz FQVYIZMCGXRTBK-OPQQBVKSSA-N 0 0 333.259 3.069 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756763173 1300562494 /nfs/dbraw/zinc/56/24/94/1300562494.db2.gz VDHXMHNOXPGVAM-BZNIZROVSA-N 0 0 338.398 3.255 20 10 EGCDRN C[C@@H](CO)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756785417 1300565138 /nfs/dbraw/zinc/56/51/38/1300565138.db2.gz UMEQQMCFDUAHCE-NXEZZACHSA-N 0 0 334.229 3.353 20 10 EGCDRN C[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756852079 1300577152 /nfs/dbraw/zinc/57/71/52/1300577152.db2.gz ZJBDCJBPURKLCK-NSHDSACASA-N 0 0 342.351 3.369 20 10 EGCDRN 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ZINC000846214210 1321776681 /nfs/dbraw/zinc/77/66/81/1321776681.db2.gz UFYLZDWDYJNPKS-ZUZCIYMTSA-N 0 0 334.243 3.281 20 10 EGCDRN Cc1c(C(=O)NCc2cc(Cl)ccc2O)oc2c1C(=O)CCC2 ZINC000846474088 1321788218 /nfs/dbraw/zinc/78/82/18/1321788218.db2.gz YTDLTOQZAOHVGG-UHFFFAOYSA-N 0 0 333.771 3.396 20 10 EGCDRN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1cc(Cl)ccc1O ZINC000846474788 1321788382 /nfs/dbraw/zinc/78/83/82/1321788382.db2.gz BTTREJNJXWXSIT-KZULUSFZSA-N 0 0 333.815 3.217 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(N)cc2Cl)cc1 ZINC000846696047 1321802044 /nfs/dbraw/zinc/80/20/44/1321802044.db2.gz CQHBSAMQDUIIEQ-UHFFFAOYSA-N 0 0 347.846 3.139 20 10 EGCDRN COc1ccc(N(C)Cc2ccc(OCC(F)(F)F)nn2)cc1F ZINC000846815573 1321811813 /nfs/dbraw/zinc/81/18/13/1321811813.db2.gz OTQYNBGXAAUKCQ-UHFFFAOYSA-N 0 0 345.296 3.202 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000846960829 1321828453 /nfs/dbraw/zinc/82/84/53/1321828453.db2.gz BMPSQTQYHQRAHR-MCFZSSJYSA-N 0 0 345.439 3.043 20 10 EGCDRN C[C@H](Cc1c[nH]cn1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000847303416 1321861028 /nfs/dbraw/zinc/86/10/28/1321861028.db2.gz BCTKDRZCOMLCEO-MRXNPFEDSA-N 0 0 340.471 3.237 20 10 EGCDRN C[C@H](Cc1ccccn1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000847355659 1321865320 /nfs/dbraw/zinc/86/53/20/1321865320.db2.gz CYJFVSZTRKZSJP-CABCVRRESA-N 0 0 326.444 3.139 20 10 EGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1c(F)ccnc1F ZINC000847399273 1321869411 /nfs/dbraw/zinc/86/94/11/1321869411.db2.gz ARBXQPMYJGQPMC-UHFFFAOYSA-N 0 0 331.366 3.280 20 10 EGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000848565564 1321977297 /nfs/dbraw/zinc/97/72/97/1321977297.db2.gz JZEHCZIMWKNMQJ-VIFPVBQESA-N 0 0 344.795 3.021 20 10 EGCDRN CCc1cccc(CN[C@@H](C(=O)OC)c2ccc(F)c(C)c2)c1O ZINC000848904052 1322040704 /nfs/dbraw/zinc/04/07/04/1322040704.db2.gz JMGAMPBGFHMENQ-QGZVFWFLSA-N 0 0 331.387 3.406 20 10 EGCDRN C[C@H]1CCCC[C@H]1NC(=S)NCc1ccc(N2CCOCC2)cc1 ZINC000919717284 1322098222 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CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cccc(Cl)c1[O-] ZINC000287261566 456065443 /nfs/dbraw/zinc/06/54/43/456065443.db2.gz ALKIBCRLXGQQHE-MRXNPFEDSA-N 0 0 348.830 3.151 20 10 EGCDRN CC(C)Cn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000272775317 456067535 /nfs/dbraw/zinc/06/75/35/456067535.db2.gz RARWXXMNVODMPP-UHFFFAOYSA-N 0 0 340.471 3.410 20 10 EGCDRN CC(C)c1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)no1 ZINC000272781363 456068179 /nfs/dbraw/zinc/06/81/79/456068179.db2.gz FAVCBXMCHRONNA-UHFFFAOYSA-N 0 0 330.388 3.295 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](C1CC1)C(F)(F)F ZINC000287591639 456073464 /nfs/dbraw/zinc/07/34/64/456073464.db2.gz WHCDWXBWKOIBFK-HNNXBMFYSA-N 0 0 339.361 3.203 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000301308306 456087317 /nfs/dbraw/zinc/08/73/17/456087317.db2.gz WMYWGOWTDRLFAS-UHFFFAOYSA-N 0 0 331.401 3.291 20 10 EGCDRN Cc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)c(O)c1O ZINC000272878507 456098093 /nfs/dbraw/zinc/09/80/93/456098093.db2.gz 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325.796 3.377 20 10 EGCDRN C[C@H](CCCC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841792277 1321312807 /nfs/dbraw/zinc/31/28/07/1321312807.db2.gz CDKIXSZZQPKWJL-CQSZACIVSA-N 0 0 349.431 3.318 20 10 EGCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)nn1CC(F)(F)F ZINC000841808433 1321316331 /nfs/dbraw/zinc/31/63/31/1321316331.db2.gz LMJBSICQNDJLST-UHFFFAOYSA-N 0 0 342.321 3.123 20 10 EGCDRN Nc1ccc(CCNC(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1 ZINC000841910502 1321329366 /nfs/dbraw/zinc/32/93/66/1321329366.db2.gz ILNVTKRIYLDVAL-CQSZACIVSA-N 0 0 325.403 3.326 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000841955124 1321331476 /nfs/dbraw/zinc/33/14/76/1321331476.db2.gz VBGFIDNWFUQBHD-QGZVFWFLSA-N 0 0 341.430 3.225 20 10 EGCDRN CCC([NH3+])(CC)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841955095 1321331860 /nfs/dbraw/zinc/33/18/60/1321331860.db2.gz UPXRKBTWPJQGJK-UHFFFAOYSA-N 0 0 334.247 3.016 20 10 EGCDRN CN(CCCOCc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000841960085 1321332118 /nfs/dbraw/zinc/33/21/18/1321332118.db2.gz URTGVYKDWJAKIY-UHFFFAOYSA-N 0 0 341.455 3.060 20 10 EGCDRN CC(C)(NC(=O)NCCc1ccc(N)cc1)c1ccc(F)c(F)c1 ZINC000841957996 1321332429 /nfs/dbraw/zinc/33/24/29/1321332429.db2.gz MQWACUOWSBEJAR-UHFFFAOYSA-N 0 0 333.382 3.324 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000841961779 1321333145 /nfs/dbraw/zinc/33/31/45/1321333145.db2.gz IEIWYSJKLSJGAO-GOSISDBHSA-N 0 0 327.403 3.497 20 10 EGCDRN CC[C@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)[C@H](C)O ZINC000842224477 1321364085 /nfs/dbraw/zinc/36/40/85/1321364085.db2.gz BSUFVDDZTUXHTF-KXBFYZLASA-N 0 0 344.455 3.281 20 10 EGCDRN CC(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N(C)Cc1ccccc1O ZINC000843030539 1321459481 /nfs/dbraw/zinc/45/94/81/1321459481.db2.gz KOPWXGQPGJKXNH-ZBFHGGJFSA-N 0 0 344.459 3.169 20 10 EGCDRN COc1cc(-c2nc(Cc3ccc(N)cc3)no2)cc2c1O[C@H](C)C2 ZINC000843162456 1321481287 /nfs/dbraw/zinc/48/12/87/1321481287.db2.gz XTCSDVGJZSZMHV-LLVKDONJSA-N 0 0 337.379 3.242 20 10 EGCDRN COc1ccc(N(C)Cc2csc(CC(=O)OC(C)C)n2)cc1 ZINC000844353464 1321592699 /nfs/dbraw/zinc/59/26/99/1321592699.db2.gz OTUOTGDTIMLXPT-UHFFFAOYSA-N 0 0 334.441 3.282 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnc2n1[C@H](C)CCC2 ZINC000844396139 1321599328 /nfs/dbraw/zinc/59/93/28/1321599328.db2.gz MFHOXWBGMJZLFY-CQSZACIVSA-N 0 0 326.444 3.085 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccccc2OC)cc1 ZINC000844479701 1321610900 /nfs/dbraw/zinc/61/09/00/1321610900.db2.gz QQTJFDHJNXXZNZ-UHFFFAOYSA-N 0 0 343.427 3.304 20 10 EGCDRN CC(C)Cc1nnc(NC(=O)NCc2cc(Cl)ccc2O)s1 ZINC000844485519 1321611600 /nfs/dbraw/zinc/61/16/00/1321611600.db2.gz HYMDDVJBPZEJTP-UHFFFAOYSA-N 0 0 340.836 3.417 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2nc(C)cs2)cc1 ZINC000844482711 1321611867 /nfs/dbraw/zinc/61/18/67/1321611867.db2.gz FMUYYFZUNKCGOJ-UHFFFAOYSA-N 0 0 334.445 3.060 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C)cc2OC)cc1 ZINC000844856295 1321650930 /nfs/dbraw/zinc/65/09/30/1321650930.db2.gz NVEKGUUPUJLIMN-UHFFFAOYSA-N 0 0 342.439 3.221 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CCC[C@@H](OC)C2)cc1 ZINC000844855771 1321651307 /nfs/dbraw/zinc/65/13/07/1321651307.db2.gz HJWISYKAFZXRFA-QFBILLFUSA-N 0 0 348.487 3.185 20 10 EGCDRN CC(C)O[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000844887218 1321654901 /nfs/dbraw/zinc/65/49/01/1321654901.db2.gz GOKIVASYNJAOPG-IBGZPJMESA-N 0 0 345.487 3.386 20 10 EGCDRN CN1CCCc2cc(CNC(=O)N3CCC4(CC4(F)F)CC3)ccc21 ZINC000844933863 1321660083 /nfs/dbraw/zinc/66/00/83/1321660083.db2.gz IYUFDAXJHWUQSR-UHFFFAOYSA-N 0 0 349.425 3.400 20 10 EGCDRN Cc1nc(C)c(CCNC(=O)NCc2cc(Cl)ccc2O)s1 ZINC000844963519 1321663111 /nfs/dbraw/zinc/66/31/11/1321663111.db2.gz DZPVZDYXBZSHDO-UHFFFAOYSA-N 0 0 339.848 3.161 20 10 EGCDRN CCOCCC1(CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845071944 1321674906 /nfs/dbraw/zinc/67/49/06/1321674906.db2.gz KRNVEFBSLWPVCE-UHFFFAOYSA-N 0 0 326.824 3.052 20 10 EGCDRN CSCC1(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000845116433 1321677368 /nfs/dbraw/zinc/67/73/68/1321677368.db2.gz GEOBHDHPMPTGMI-UHFFFAOYSA-N 0 0 348.512 3.015 20 10 EGCDRN C[C@H]1CC(CCNC(=O)NCc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000845180616 1321681523 /nfs/dbraw/zinc/68/15/23/1321681523.db2.gz SWZZAKAYARVPCG-RYUDHWBXSA-N 0 0 340.851 3.439 20 10 EGCDRN CNC(=O)CCSCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000845337525 1321700210 /nfs/dbraw/zinc/70/02/10/1321700210.db2.gz SVFLBJTWDVJQRX-UHFFFAOYSA-N 0 0 344.480 3.455 20 10 EGCDRN Cc1cc(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)on1 ZINC000845459596 1321709454 /nfs/dbraw/zinc/70/94/54/1321709454.db2.gz QESGLWDIBVBMBM-UHFFFAOYSA-N 0 0 327.428 3.078 20 10 EGCDRN COC[C@H]1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000859363354 1328976531 /nfs/dbraw/zinc/97/65/31/1328976531.db2.gz WVULWSZEPVPANC-KRWDZBQOSA-N 0 0 341.455 3.272 20 10 EGCDRN COc1ccc(N(C)Cc2c(C)nn(C)c2OCC(F)(F)F)cc1 ZINC000845999651 1321762096 /nfs/dbraw/zinc/76/20/96/1321762096.db2.gz XBGZFIMZLUAFBN-UHFFFAOYSA-N 0 0 343.349 3.315 20 10 EGCDRN COc1cccc([C@H](C)Nc2ccn(CCc3ccncc3)n2)c1O ZINC000846159281 1321772983 /nfs/dbraw/zinc/77/29/83/1321772983.db2.gz FTOGSZNJWBVLKX-AWEZNQCLSA-N 0 0 338.411 3.408 20 10 EGCDRN C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000846205425 1321775648 /nfs/dbraw/zinc/77/56/48/1321775648.db2.gz GXEXPXMEWAYCJA-WDEREUQCSA-N 0 0 342.361 3.073 20 10 EGCDRN Cc1cc(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])ccc1N1CCCCC1 ZINC000846273654 1321781907 /nfs/dbraw/zinc/78/19/07/1321781907.db2.gz AOACLGXAVGTUEW-KRWDZBQOSA-N 0 0 348.512 3.377 20 10 EGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccnc1N1CCCCC1 ZINC000846472445 1321787786 /nfs/dbraw/zinc/78/77/86/1321787786.db2.gz KHJVMBQARHROPT-UHFFFAOYSA-N 0 0 345.830 3.361 20 10 EGCDRN Cc1ccc2c(c1)CC[C@H](C(=O)NCc1cc(Cl)ccc1O)O2 ZINC000846473958 1321788211 /nfs/dbraw/zinc/78/82/11/1321788211.db2.gz OXHRVVKPQSOHEB-QGZVFWFLSA-N 0 0 331.799 3.364 20 10 EGCDRN CN(C)c1ccc(CCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000846479929 1321788834 /nfs/dbraw/zinc/78/88/34/1321788834.db2.gz RCXKBHRFJZNVBN-UHFFFAOYSA-N 0 0 332.831 3.361 20 10 EGCDRN C[C@H](NC(=O)c1scc2c1OCCO2)c1ccc(N(C)C)cc1 ZINC000846978204 1321830312 /nfs/dbraw/zinc/83/03/12/1321830312.db2.gz NERUWHBSSIEKQU-NSHDSACASA-N 0 0 332.425 3.076 20 10 EGCDRN C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cc2c(cc1O)CCCC2 ZINC000848558700 1321975900 /nfs/dbraw/zinc/97/59/00/1321975900.db2.gz SYNXZVZBIMMKQB-PXAZEXFGSA-N 0 0 342.443 3.091 20 10 EGCDRN CCc1cccc(CN2CCOC[C@H]2C[C@@H](O)c2cccs2)c1O ZINC000848889094 1322029629 /nfs/dbraw/zinc/02/96/29/1322029629.db2.gz FRXYOJYLMKXCJA-IAGOWNOFSA-N 0 0 347.480 3.341 20 10 EGCDRN CCc1cccc(CNc2ccc(C)c(NS(C)(=O)=O)c2)c1O ZINC000848891859 1322031512 /nfs/dbraw/zinc/03/15/12/1322031512.db2.gz CEUPDXMLESRWAC-UHFFFAOYSA-N 0 0 334.441 3.247 20 10 EGCDRN CCOC(=O)[C@H](Cc1ccccc1)NCc1cccc(CC)c1O ZINC000848891725 1322031797 /nfs/dbraw/zinc/03/17/97/1322031797.db2.gz YTLRQZGPQHNYSA-SFHVURJKSA-N 0 0 327.424 3.219 20 10 EGCDRN Cc1noc(CN(C)Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000848928283 1322047726 /nfs/dbraw/zinc/04/77/26/1322047726.db2.gz XXGMGNGKULZGRI-UHFFFAOYSA-N 0 0 339.395 3.295 20 10 EGCDRN CSc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000919767301 1322105469 /nfs/dbraw/zinc/10/54/69/1322105469.db2.gz UCLJKIVOTORXOB-UHFFFAOYSA-N 0 0 342.464 3.175 20 10 EGCDRN CC(C)[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920921841 1322236532 /nfs/dbraw/zinc/23/65/32/1322236532.db2.gz VPOMRWGCKKGLLG-CVEARBPZSA-N 0 0 333.476 3.270 20 10 EGCDRN COC(=O)[C@H](C)Oc1ccccc1CNc1ccc2c(c1)ncn2C ZINC000921908966 1322421575 /nfs/dbraw/zinc/42/15/75/1322421575.db2.gz PTTPLLWEXMFMNP-ZDUSSCGKSA-N 0 0 339.395 3.126 20 10 EGCDRN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)Cc1ccc(N)cc1 ZINC000851644860 1323067869 /nfs/dbraw/zinc/06/78/69/1323067869.db2.gz ABZDTQXEMDHZBX-SFHVURJKSA-N 0 0 342.414 3.329 20 10 EGCDRN CC(C)C[C@H](C)OC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851844341 1323101884 /nfs/dbraw/zinc/10/18/84/1323101884.db2.gz UQFLGXLXKOBGLP-HNNXBMFYSA-N 0 0 334.460 3.309 20 10 EGCDRN CO[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000852682465 1323226308 /nfs/dbraw/zinc/22/63/08/1323226308.db2.gz BYKNBXZUQYGGRC-IBGZPJMESA-N 0 0 347.503 3.489 20 10 EGCDRN COc1ccc(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)cc1 ZINC000853085257 1323275996 /nfs/dbraw/zinc/27/59/96/1323275996.db2.gz IHQMWGVDMRYPFK-UHFFFAOYSA-N 0 0 326.444 3.109 20 10 EGCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)c3ccco3)CC2)cc1F ZINC000859966137 1329120330 /nfs/dbraw/zinc/12/03/30/1329120330.db2.gz DVFXVIUHHXCQAK-AWEZNQCLSA-N 0 0 346.402 3.270 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)OCc2ccc(C)cc2)c1 ZINC000860242711 1329182119 /nfs/dbraw/zinc/18/21/19/1329182119.db2.gz UAHBUSKELNJCEH-CABCVRRESA-N 0 0 343.423 3.492 20 10 EGCDRN Cc1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000853388754 1325088438 /nfs/dbraw/zinc/08/84/38/1325088438.db2.gz MXZXCVIDRYJUEY-ZDUSSCGKSA-N 0 0 334.370 3.467 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCC=C(c3cccnc3)C2)cc1OC ZINC000853659350 1325142721 /nfs/dbraw/zinc/14/27/21/1325142721.db2.gz WQATTWGYVYYTKK-UHFFFAOYSA-N 0 0 341.367 3.301 20 10 EGCDRN CCSC1(CNC(=O)NCCCSc2nccs2)CC1 ZINC000853857371 1325172710 /nfs/dbraw/zinc/17/27/10/1325172710.db2.gz AJYCLXQKBVVTNS-UHFFFAOYSA-N 0 0 331.532 3.210 20 10 EGCDRN C[C@@H](NC(=O)NCC1(O)CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000854005274 1325200546 /nfs/dbraw/zinc/20/05/46/1325200546.db2.gz RVJLPWPXDVZWHZ-XAUUPUKJSA-N 0 0 333.476 3.054 20 10 EGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)Cc3ncc[nH]3)cc2Cl)C1 ZINC000854345079 1325250215 /nfs/dbraw/zinc/25/02/15/1325250215.db2.gz SFZKSPGFPXVWCI-ZDUSSCGKSA-N 0 0 346.862 3.158 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc(OC)c2C)cc1 ZINC000855021131 1325334924 /nfs/dbraw/zinc/33/49/24/1325334924.db2.gz ZXDXEPFEUVPRHS-UHFFFAOYSA-N 0 0 342.439 3.221 20 10 EGCDRN Cc1cc(F)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212691 1325465195 /nfs/dbraw/zinc/46/51/95/1325465195.db2.gz RRPCTPGJGAMNRD-UHFFFAOYSA-N 0 0 342.414 3.025 20 10 EGCDRN Cc1cc(F)cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000856211214 1325465305 /nfs/dbraw/zinc/46/53/05/1325465305.db2.gz IUOSBCDLRGMBHB-UHFFFAOYSA-N 0 0 342.414 3.025 20 10 EGCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cccc2[nH]ccc21 ZINC000856209939 1325465345 /nfs/dbraw/zinc/46/53/45/1325465345.db2.gz IMGMPHGTIGELSQ-UHFFFAOYSA-N 0 0 349.434 3.059 20 10 EGCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856214891 1325466641 /nfs/dbraw/zinc/46/66/41/1325466641.db2.gz FYPHSPNKBNYRNP-VQIMIIECSA-N 0 0 330.472 3.090 20 10 EGCDRN COCCOc1ccccc1NC(=O)NCc1cc(C)ccc1O ZINC000860518749 1329326478 /nfs/dbraw/zinc/32/64/78/1329326478.db2.gz QWAJUWIVZUOMEU-UHFFFAOYSA-N 0 0 330.384 3.048 20 10 EGCDRN COCCOc1ccc(F)cc1NC(=O)NCc1cc(C)ccc1O ZINC000860580282 1329332682 /nfs/dbraw/zinc/33/26/82/1329332682.db2.gz YGJFBELPGWJKJO-UHFFFAOYSA-N 0 0 348.374 3.187 20 10 EGCDRN C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc(C(F)(F)F)c1[O-] ZINC000926999874 1327812346 /nfs/dbraw/zinc/81/23/46/1327812346.db2.gz FICUJYKDMZDRCM-SNVBAGLBSA-N 0 0 331.334 3.215 20 10 EGCDRN COc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000861448060 1329419019 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COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000273429185 456229998 /nfs/dbraw/zinc/22/99/98/456229998.db2.gz VDBRYJRVWQTHIY-APPDUMDISA-N 0 0 349.814 3.216 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446446 456231869 /nfs/dbraw/zinc/23/18/69/456231869.db2.gz FBTPSYCGIGJYQY-HWWQOWPSSA-N 0 0 338.429 3.006 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2C(C)C)c1 ZINC000273447717 456231970 /nfs/dbraw/zinc/23/19/70/456231970.db2.gz FIJDGGAGJFZZJA-JOQOYGCGSA-N 0 0 335.444 3.281 20 10 EGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273467881 456233367 /nfs/dbraw/zinc/23/33/67/456233367.db2.gz JGYACVNTVYAVRW-BHADISHBSA-N 0 0 332.400 3.299 20 10 EGCDRN Cc1nnc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000273505156 456235052 /nfs/dbraw/zinc/23/50/52/456235052.db2.gz AVTPOYOFJXOOCK-GFCCVEGCSA-N 0 0 345.472 3.007 20 10 EGCDRN 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329.366 3.185 20 10 EGCDRN CCC[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H](O)c1ccccc1 ZINC000841957971 1321332374 /nfs/dbraw/zinc/33/23/74/1321332374.db2.gz FZEMFWNHEQNYME-OALUTQOASA-N 0 0 341.455 3.013 20 10 EGCDRN CN(CCCCc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000841961759 1321333067 /nfs/dbraw/zinc/33/30/67/1321333067.db2.gz HVWQURCQZXMDTA-UHFFFAOYSA-N 0 0 325.456 3.476 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2COCc3ccccc32)cc1 ZINC000842190842 1321360428 /nfs/dbraw/zinc/36/04/28/1321360428.db2.gz PLJUKMXOVIOMCB-IBGZPJMESA-N 0 0 339.439 3.166 20 10 EGCDRN COCCOCCC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000843019634 1321456903 /nfs/dbraw/zinc/45/69/03/1321456903.db2.gz WYMYRCBLXVFWCL-UHFFFAOYSA-N 0 0 331.412 3.016 20 10 EGCDRN CCO[C@H](C)c1ncc(-c2nc(Cc3ccc(N)cc3)no2)s1 ZINC000843162463 1321481033 /nfs/dbraw/zinc/48/10/33/1321481033.db2.gz XWTNSEZTUPCASB-SNVBAGLBSA-N 0 0 330.413 3.464 20 10 EGCDRN CCN1C(=O)/C(=C/c2cn(C)nc2-c2ccc(C)o2)SC1=S ZINC000843265120 1321495764 /nfs/dbraw/zinc/49/57/64/1321495764.db2.gz UTNHIMCQOMMTEJ-GHXNOFRVSA-N 0 0 333.438 3.210 20 10 EGCDRN COc1ccc(N2CCC3(CC2)Nc2ccc(C)cc2C(=O)N3)cc1 ZINC000843272901 1321496971 /nfs/dbraw/zinc/49/69/71/1321496971.db2.gz PFKAQAPIZPLGAG-UHFFFAOYSA-N 0 0 337.423 3.156 20 10 EGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@]1(O)CCc2ccccc21 ZINC000843421983 1321516394 /nfs/dbraw/zinc/51/63/94/1321516394.db2.gz STYIWYMYNIAWSX-SFHVURJKSA-N 0 0 335.806 3.451 20 10 EGCDRN C[C@@H](NC(=O)C1CC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000843537168 1321526273 /nfs/dbraw/zinc/52/62/73/1321526273.db2.gz PCTIZUVBGVGFEL-OAHLLOKOSA-N 0 0 328.456 3.281 20 10 EGCDRN CC(C)Cn1nccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000843767009 1321545598 /nfs/dbraw/zinc/54/55/98/1321545598.db2.gz WIEZSKKBLCGRMB-UHFFFAOYSA-N 0 0 326.444 3.069 20 10 EGCDRN CCN1C(=O)/C(=C/c2cc(F)c(OC)cc2OC)SC1=S ZINC000844274871 1321584617 /nfs/dbraw/zinc/58/46/17/1321584617.db2.gz JCUFZYKTWLSMPH-SDQBBNPISA-N 0 0 327.402 3.064 20 10 EGCDRN COc1ccc(N(C)C[C@H](O)COc2ccc(SC)cc2)cc1 ZINC000844355135 1321592775 /nfs/dbraw/zinc/59/27/75/1321592775.db2.gz LNLWYZJVFVBICQ-HNNXBMFYSA-N 0 0 333.453 3.293 20 10 EGCDRN C[C@@H]1CCCc2ncc(C(=O)NCc3ccc4c(c3)CCCN4C)n21 ZINC000844357690 1321593174 /nfs/dbraw/zinc/59/31/74/1321593174.db2.gz OUQSVTDWXMTGDI-CQSZACIVSA-N 0 0 338.455 3.093 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC000844396137 1321599532 /nfs/dbraw/zinc/59/95/32/1321599532.db2.gz MFHOXWBGMJZLFY-AWEZNQCLSA-N 0 0 326.444 3.085 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)COC[C@@H](C)c1ccccc1 ZINC000844396085 1321599603 /nfs/dbraw/zinc/59/96/03/1321599603.db2.gz LHMNREJELANRKP-QGZVFWFLSA-N 0 0 340.467 3.498 20 10 EGCDRN CCC[C@@H]1C[C@@H](C(=O)N(C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000844856019 1321650909 /nfs/dbraw/zinc/65/09/09/1321650909.db2.gz LFECKDISWFLIIA-QFBILLFUSA-N 0 0 348.487 3.185 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cnc(C3CC3)s2)cc1 ZINC000844853847 1321650939 /nfs/dbraw/zinc/65/09/39/1321650939.db2.gz LVICKSLIVMHKRR-UHFFFAOYSA-N 0 0 345.468 3.238 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844987875 1321665988 /nfs/dbraw/zinc/66/59/88/1321665988.db2.gz FAPFIUDMIAKTMS-UHFFFAOYSA-N 0 0 347.846 3.419 20 10 EGCDRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NCc1cc(Cl)ccc1O ZINC000844994698 1321666598 /nfs/dbraw/zinc/66/65/98/1321666598.db2.gz TYQSZBWRQUIBRU-HNNXBMFYSA-N 0 0 346.818 3.021 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC2(CC2(F)F)CC1 ZINC000845001575 1321667221 /nfs/dbraw/zinc/66/72/21/1321667221.db2.gz CUQJPLZNITYPKE-UHFFFAOYSA-N 0 0 347.409 3.394 20 10 EGCDRN CCO[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C12CCC2 ZINC000845013512 1321668280 /nfs/dbraw/zinc/66/82/80/1321668280.db2.gz DZRLELXOZBQYPW-CABCVRRESA-N 0 0 338.835 3.193 20 10 EGCDRN CO[C@@](C)([C@@H](C)NC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000845260203 1321689494 /nfs/dbraw/zinc/68/94/94/1321689494.db2.gz RZJQKRJGYCWIND-HWPZZCPQSA-N 0 0 326.824 3.048 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H](C)n2ccnc2)cc1F ZINC000845466798 1321709969 /nfs/dbraw/zinc/70/99/69/1321709969.db2.gz CJRUPDFTDQZVNI-AWEZNQCLSA-N 0 0 332.423 3.136 20 10 EGCDRN O=C(NC1CC2(CCC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000845722012 1321736175 /nfs/dbraw/zinc/73/61/75/1321736175.db2.gz JPFCBPAFIQJMCK-KRWDZBQOSA-N 0 0 344.455 3.416 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCc3ccccc3C2)c1 ZINC000845834872 1321744817 /nfs/dbraw/zinc/74/48/17/1321744817.db2.gz WLLLSKXPRYDARG-BBRMVZONSA-N 0 0 325.408 3.383 20 10 EGCDRN C[C@@H]1CCCc2ncc(C(=O)NCc3c(O)ccc4c3CCCC4)n21 ZINC000845834022 1321745100 /nfs/dbraw/zinc/74/51/00/1321745100.db2.gz KDVFFLLPUVAIIH-CYBMUJFWSA-N 0 0 339.439 3.295 20 10 EGCDRN COc1ccc2c(c1)OC[C@H]2CC(=O)NCc1cc(Cl)ccc1O ZINC000846472613 1321787763 /nfs/dbraw/zinc/78/77/63/1321787763.db2.gz BTFVSVIWCJNEKA-GFCCVEGCSA-N 0 0 347.798 3.237 20 10 EGCDRN COc1cccc(NCC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000846677931 1321800747 /nfs/dbraw/zinc/80/07/47/1321800747.db2.gz SYLAADKOWVZRJU-UHFFFAOYSA-N 0 0 340.423 3.008 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2cnccc2C(F)(F)F)cc1 ZINC000847304166 1321861647 /nfs/dbraw/zinc/86/16/47/1321861647.db2.gz HPHYYABCIVSOKV-UHFFFAOYSA-N 0 0 337.345 3.439 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(C(C)(C)C)n1 ZINC000847399152 1321869467 /nfs/dbraw/zinc/86/94/67/1321869467.db2.gz OFWXUPIPZPWGNL-UHFFFAOYSA-N 0 0 328.460 3.366 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2ncc(C)cc2C)c1 ZINC000847414947 1321870233 /nfs/dbraw/zinc/87/02/33/1321870233.db2.gz TZAPCPHJEGVHFF-AWEZNQCLSA-N 0 0 343.427 3.016 20 10 EGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(C)(C)CO)cc2Cl)C1 ZINC000848035833 1321925567 /nfs/dbraw/zinc/92/55/67/1321925567.db2.gz CJPBBWOAICJTAT-ZDUSSCGKSA-N 0 0 338.879 3.211 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1[O-] ZINC000848574381 1321979140 /nfs/dbraw/zinc/97/91/40/1321979140.db2.gz DIMDUSYUINTPHC-KBPBESRZSA-N 0 0 339.823 3.060 20 10 EGCDRN C[C@@H](Cc1nc(Cc2ccc(N)cc2)no1)N1CCc2ccccc21 ZINC000848618382 1321981693 /nfs/dbraw/zinc/98/16/93/1321981693.db2.gz UAXSLITXUSXJJP-AWEZNQCLSA-N 0 0 334.423 3.236 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1[O-] ZINC000848925173 1322046811 /nfs/dbraw/zinc/04/68/11/1322046811.db2.gz PPBJCOTWJMXYDV-CQSZACIVSA-N 0 0 340.807 3.487 20 10 EGCDRN Cc1noc([C@@H](C)N(C)Cc2cc(Br)ccc2O)n1 ZINC000848926454 1322047385 /nfs/dbraw/zinc/04/73/85/1322047385.db2.gz YBIYRDKGUQBQPB-MRVPVSSYSA-N 0 0 326.194 3.039 20 10 EGCDRN Cc1cccc([C@@H]2C(=O)NCCN2Cc2ccc(N(C)C)c(C)c2)c1 ZINC000848952223 1322050600 /nfs/dbraw/zinc/05/06/00/1322050600.db2.gz UBSUXDFACNKRFU-HXUWFJFHSA-N 0 0 337.467 3.043 20 10 EGCDRN [NH2+]=C(NCCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000849105578 1322080373 /nfs/dbraw/zinc/08/03/73/1322080373.db2.gz WGQVTZGNTVIDFZ-UHFFFAOYSA-N 0 0 348.244 3.011 20 10 EGCDRN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)NC2(CCC(C)CC2)C1=O ZINC000849354773 1322116667 /nfs/dbraw/zinc/11/66/67/1322116667.db2.gz VVGNHCQLVIJJSJ-SHYRYGCCSA-N 0 0 329.444 3.314 20 10 EGCDRN CSCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000919919190 1322117402 /nfs/dbraw/zinc/11/74/02/1322117402.db2.gz WIOLCAQAIOTLQH-UHFFFAOYSA-N 0 0 345.512 3.347 20 10 EGCDRN CCN(CC(=O)OC)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000919927077 1322117826 /nfs/dbraw/zinc/11/78/26/1322117826.db2.gz RECDKUXAKMJZGP-UHFFFAOYSA-N 0 0 328.412 3.038 20 10 EGCDRN C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000920055168 1322131988 /nfs/dbraw/zinc/13/19/88/1322131988.db2.gz YEUMTHVHEKFCON-CQSZACIVSA-N 0 0 333.501 3.085 20 10 EGCDRN C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000920055385 1322132027 /nfs/dbraw/zinc/13/20/27/1322132027.db2.gz ZIAQBALWIUKHNY-WMLDXEAASA-N 0 0 332.444 3.129 20 10 EGCDRN C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000920055387 1322132072 /nfs/dbraw/zinc/13/20/72/1322132072.db2.gz ZIAQBALWIUKHNY-YOEHRIQHSA-N 0 0 332.444 3.129 20 10 EGCDRN COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OC ZINC000920418794 1322175308 /nfs/dbraw/zinc/17/53/08/1322175308.db2.gz JBVLKCWKYWROMY-OFQRWUPVSA-N 0 0 334.460 3.081 20 10 EGCDRN Cc1cccc(OCCNC(=O)CSc2ncc(Cl)s2)c1 ZINC000849997549 1322178595 /nfs/dbraw/zinc/17/85/95/1322178595.db2.gz ACYMRIXJWZTRPX-UHFFFAOYSA-N 0 0 342.873 3.392 20 10 EGCDRN CS(=O)(=O)c1ccc([C@@H](O)CSc2ncc(Cl)s2)cc1 ZINC000849998050 1322178907 /nfs/dbraw/zinc/17/89/07/1322178907.db2.gz ALASVEUHLXKIDQ-JTQLQIEISA-N 0 0 349.886 3.026 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](C)C[C@H](C)O)c1 ZINC000859529708 1329009837 /nfs/dbraw/zinc/00/98/37/1329009837.db2.gz GHDWDCMDAPHJBP-ZFWWWQNUSA-N 0 0 342.439 3.043 20 10 EGCDRN COc1cc(CNCc2nn(C)cc2Cl)c(O)c(C(C)(C)C)c1 ZINC000850315408 1322227122 /nfs/dbraw/zinc/22/71/22/1322227122.db2.gz BRPVJHMYEQFKOO-UHFFFAOYSA-N 0 0 337.851 3.375 20 10 EGCDRN CCS(=O)(=O)N(C)c1ccc(NCc2cc(C)ccc2O)cc1 ZINC000850391387 1322237380 /nfs/dbraw/zinc/23/73/80/1322237380.db2.gz OPZBKSZMLFESPT-UHFFFAOYSA-N 0 0 334.441 3.099 20 10 EGCDRN CC(C)(C)N1C[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000850396263 1322238452 /nfs/dbraw/zinc/23/84/52/1322238452.db2.gz IMNAGZYEHMOSJA-JTQLQIEISA-N 0 0 345.270 3.436 20 10 EGCDRN CCn1cc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)nn1 ZINC000850522565 1322261163 /nfs/dbraw/zinc/26/11/63/1322261163.db2.gz VGDRVMWWJIAPLT-AWEZNQCLSA-N 0 0 331.439 3.278 20 10 EGCDRN C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850537216 1322261368 /nfs/dbraw/zinc/26/13/68/1322261368.db2.gz OGUAOWKHEVGLRA-GWCFXTLKSA-N 0 0 332.331 3.094 20 10 EGCDRN CCS(=O)(=O)N(C)c1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000850549216 1322263949 /nfs/dbraw/zinc/26/39/49/1322263949.db2.gz GCDABOFRKZALEU-CYBMUJFWSA-N 0 0 334.441 3.351 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000850580958 1322273250 /nfs/dbraw/zinc/27/32/50/1322273250.db2.gz SIYWMKXKYOXVMB-NXSYQRQQSA-N 0 0 347.283 3.472 20 10 EGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000922518949 1322546567 /nfs/dbraw/zinc/54/65/67/1322546567.db2.gz SOKBCZZXMFDWME-HIFRSBDPSA-N 0 0 326.234 3.120 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCc2ncncc2C1 ZINC000923033621 1322680301 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[O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000288671340 456103042 /nfs/dbraw/zinc/10/30/42/456103042.db2.gz WKWAKOREZLYSIO-XJKSGUPXSA-N 0 0 340.206 3.283 20 10 EGCDRN CC(=O)Nc1cccc2c1CCCN2C(=O)/C=C/c1cnccc1C ZINC000272920152 456112944 /nfs/dbraw/zinc/11/29/44/456112944.db2.gz ILUQPHGEOJAOOE-CMDGGOBGSA-N 0 0 335.407 3.341 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000188690803 456113732 /nfs/dbraw/zinc/11/37/32/456113732.db2.gz XYVQLBHPZOPYEE-OAHLLOKOSA-N 0 0 347.503 3.042 20 10 EGCDRN CC(F)(F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000289168851 456115676 /nfs/dbraw/zinc/11/56/76/456115676.db2.gz IVQFLJDLPLKPJH-JTQLQIEISA-N 0 0 334.313 3.028 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2ccccc2N(C)C)cc1 ZINC000289619821 456133837 /nfs/dbraw/zinc/13/38/37/456133837.db2.gz BUGVZAOHKCROLO-UHFFFAOYSA-N 0 0 340.471 3.160 20 10 EGCDRN CCOC1CC2(C1)CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000289832442 456148013 /nfs/dbraw/zinc/14/80/13/456148013.db2.gz 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/nfs/dbraw/zinc/23/44/91/456234491.db2.gz MTMJEIKOPVGWRY-WDEREUQCSA-N 0 0 332.400 3.238 20 10 EGCDRN CN(Cc1ccccc1O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000301872195 456237655 /nfs/dbraw/zinc/23/76/55/456237655.db2.gz KPPDHTMLOPWEJP-UHFFFAOYSA-N 0 0 345.342 3.322 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000273595112 456241188 /nfs/dbraw/zinc/24/11/88/456241188.db2.gz QHVYEUYNFFNLGX-WVQJBOLRSA-N 0 0 334.347 3.212 20 10 EGCDRN COc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc1F ZINC000301888676 456242835 /nfs/dbraw/zinc/24/28/35/456242835.db2.gz QAXNTNIAENDYIU-UHFFFAOYSA-N 0 0 326.375 3.037 20 10 EGCDRN Cc1ccc(-c2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)cn1 ZINC000273817282 456246041 /nfs/dbraw/zinc/24/60/41/456246041.db2.gz NHUPIYIIONXVAV-WEVVVXLNSA-N 0 0 348.406 3.447 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCS[C@H](C(C)C)C2)cc1OC ZINC000301920141 456250484 /nfs/dbraw/zinc/25/04/84/456250484.db2.gz KMLPZFZNGCFQGW-HNNXBMFYSA-N 0 0 326.418 3.190 20 10 EGCDRN Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000274219850 456252731 /nfs/dbraw/zinc/25/27/31/456252731.db2.gz OCKKXPUVAMVYRC-QWHCGFSZSA-N 0 0 332.473 3.095 20 10 EGCDRN CCn1nc(/C=C2/SC(=S)N(C3CC3)C2=O)c2ccccc21 ZINC000274412722 456257779 /nfs/dbraw/zinc/25/77/79/456257779.db2.gz HIELNEXZEOXYMW-NTEUORMPSA-N 0 0 329.450 3.420 20 10 EGCDRN CCC[C@@](C)(NCc1ccc(N2CCC(OC)CC2)cc1)C(=O)OC ZINC000297646605 456270054 /nfs/dbraw/zinc/27/00/54/456270054.db2.gz YDMCGGIQOHSSHQ-HXUWFJFHSA-N 0 0 348.487 3.123 20 10 EGCDRN COc1cc(N(C)Cc2cn(C(C)C)nc2C)cc(OC)c1OC ZINC000281634351 456279390 /nfs/dbraw/zinc/27/93/90/456279390.db2.gz ONKPPODEQXZHEB-UHFFFAOYSA-N 0 0 333.432 3.435 20 10 EGCDRN Cc1cccc(OCc2nnc(N(C)Cc3ccccc3O)n2C)c1 ZINC000290315094 456289161 /nfs/dbraw/zinc/28/91/61/456289161.db2.gz YWIXYOLOVDOZEN-UHFFFAOYSA-N 0 0 338.411 3.045 20 10 EGCDRN CO[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H](C)C1 ZINC000281701755 456297453 /nfs/dbraw/zinc/29/74/53/456297453.db2.gz GXUJKOJXWWGPIZ-CZUORRHYSA-N 0 0 327.428 3.129 20 10 EGCDRN CCC[C@@]1(CO)CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000290625968 456387792 /nfs/dbraw/zinc/38/77/92/456387792.db2.gz LZRYSPAKPZORMD-HXUWFJFHSA-N 0 0 341.455 3.114 20 10 EGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC(C(F)F)C2)CCCC1 ZINC000651527877 462255266 /nfs/dbraw/zinc/25/52/66/462255266.db2.gz BBOFVWKCXROMRZ-UHFFFAOYSA-N 0 0 348.393 3.252 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282463867 456522372 /nfs/dbraw/zinc/52/23/72/456522372.db2.gz GCMQWKHUZDONHR-DYVFJYSZSA-N 0 0 333.428 3.179 20 10 EGCDRN Cc1ccccc1OCCCN(C)C(=O)c1c(F)ccc(O)c1O ZINC000276599505 456527234 /nfs/dbraw/zinc/52/72/34/456527234.db2.gz QZTCTGAKKMJFKR-UHFFFAOYSA-N 0 0 333.359 3.086 20 10 EGCDRN Cc1cc(C(=O)NCCc2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000298957744 456575023 /nfs/dbraw/zinc/57/50/23/456575023.db2.gz JNEWAPKLDLNNHQ-UHFFFAOYSA-N 0 0 336.439 3.109 20 10 EGCDRN CCCC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000291308771 456598780 /nfs/dbraw/zinc/59/87/80/456598780.db2.gz PNADUVCTMXPFIA-MRXNPFEDSA-N 0 0 333.476 3.243 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)CCc2nccs2)C2CC2)cc1 ZINC000299100222 456604695 /nfs/dbraw/zinc/60/46/95/456604695.db2.gz RXWMCJCZSSQGJI-UHFFFAOYSA-N 0 0 329.469 3.333 20 10 EGCDRN C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276983261 456640789 /nfs/dbraw/zinc/64/07/89/456640789.db2.gz WKCDXGMPAMGWDQ-ZWNOBZJWSA-N 0 0 325.330 3.064 20 10 EGCDRN O=C(CC1CC(c2ccccc2)C1)NCCc1ccc(O)c(O)c1 ZINC000282882289 456654232 /nfs/dbraw/zinc/65/42/32/456654232.db2.gz VNAYDCDSQLUORH-UHFFFAOYSA-N 0 0 325.408 3.340 20 10 EGCDRN COc1cccc(CNc2ccccc2S(=O)(=O)C(F)F)c1O ZINC000301106719 456798323 /nfs/dbraw/zinc/79/83/23/456798323.db2.gz RFKFEOXMMBIWJU-UHFFFAOYSA-N 0 0 343.351 3.009 20 10 EGCDRN CC(=O)Nc1ccccc1CC(=O)NCc1c(C)c2ccccc2n1C ZINC000348661953 456805768 /nfs/dbraw/zinc/80/57/68/456805768.db2.gz ARJIHPQVKDNWPT-UHFFFAOYSA-N 0 0 349.434 3.304 20 10 EGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@H](C2CC2)C1 ZINC000292072894 456847223 /nfs/dbraw/zinc/84/72/23/456847223.db2.gz LHJVTCSFFOWZNC-GSXXRBPTSA-N 0 0 340.467 3.185 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCC2CC(F)(F)C2)cc1 ZINC000292090936 456852740 /nfs/dbraw/zinc/85/27/40/456852740.db2.gz YPJDUONGPWDLRE-UHFFFAOYSA-N 0 0 325.403 3.377 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccn2ccnc2c1 ZINC000353683630 456853405 /nfs/dbraw/zinc/85/34/05/456853405.db2.gz ZJXYNUJNXYGEJP-UHFFFAOYSA-N 0 0 333.395 3.456 20 10 EGCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000292187008 456878923 /nfs/dbraw/zinc/87/89/23/456878923.db2.gz HOJUDJNTUHQGSI-AWEZNQCLSA-N 0 0 340.423 3.243 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](OC)C(C)C)ccc21 ZINC000362646157 457024258 /nfs/dbraw/zinc/02/42/58/457024258.db2.gz VAZADYKVUHYYFB-LJQANCHMSA-N 0 0 346.471 3.305 20 10 EGCDRN CO[C@H]1CCC[C@@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349769283 457045046 /nfs/dbraw/zinc/04/50/46/457045046.db2.gz KFDAIJBWYWOTKQ-KDOFPFPSSA-N 0 0 329.444 3.101 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC[C@@H]1CCCO1 ZINC000350090395 457165095 /nfs/dbraw/zinc/16/50/95/457165095.db2.gz DLTOIZGDSIDGEV-HNNXBMFYSA-N 0 0 329.444 3.197 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cccc(C)c1 ZINC000351660553 457309678 /nfs/dbraw/zinc/30/96/78/457309678.db2.gz HNMZHALMNLZONA-UHFFFAOYSA-N 0 0 335.407 3.050 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000373890216 457387569 /nfs/dbraw/zinc/38/75/69/457387569.db2.gz LFAKINNSVNLAHT-DKKKJJLPSA-N 0 0 327.355 3.313 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2cccnc21 ZINC000356000262 457439307 /nfs/dbraw/zinc/43/93/07/457439307.db2.gz NQYSEWNRWKJQKB-UHFFFAOYSA-N 0 0 333.391 3.340 20 10 EGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@@]12CCCO2 ZINC000364583403 457648430 /nfs/dbraw/zinc/64/84/30/457648430.db2.gz SQHAZBWYCXEYDB-FMKPAKJESA-N 0 0 329.799 3.001 20 10 EGCDRN Fc1cccc2c1CN(Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000375007525 457753609 /nfs/dbraw/zinc/75/36/09/457753609.db2.gz CWIKCJGDTQRXCQ-UHFFFAOYSA-N 0 0 342.414 3.057 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNc1cc(-c2nncn2C)ccn1 ZINC000365435663 457759876 /nfs/dbraw/zinc/75/98/76/457759876.db2.gz JIVVEHJVSPTJSW-UHFFFAOYSA-N 0 0 332.411 3.289 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000365949045 457785950 /nfs/dbraw/zinc/78/59/50/457785950.db2.gz ZFIYIOLHTCMTBO-UHFFFAOYSA-N 0 0 347.361 3.471 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCC(c3c[nH]nc3C)CC2)cc1OC ZINC000367814725 457982756 /nfs/dbraw/zinc/98/27/56/457982756.db2.gz NZDBTEJJOKTTLG-UHFFFAOYSA-N 0 0 346.387 3.028 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000368022359 458004922 /nfs/dbraw/zinc/00/49/22/458004922.db2.gz PTIXSJMPUSIVJV-ZZXKWVIFSA-N 0 0 345.345 3.090 20 10 EGCDRN Cc1cc(O)c(CN2CCn3c(Cc4ccccc4)nnc3C2)cc1C ZINC000371813334 458083804 /nfs/dbraw/zinc/08/38/04/458083804.db2.gz BGFZWTYJUAAGEG-UHFFFAOYSA-N 0 0 348.450 3.207 20 10 EGCDRN COC[C@@H]1CCCCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000458751890 458159122 /nfs/dbraw/zinc/15/91/22/458159122.db2.gz UUOTZOHLFSVOHF-HNNXBMFYSA-N 0 0 329.444 3.197 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000413501969 458302336 /nfs/dbraw/zinc/30/23/36/458302336.db2.gz MMJOPRUPQLARGM-LJQANCHMSA-N 0 0 341.455 3.197 20 10 EGCDRN CCN(CC)c1ccc(CN2C(=O)[C@@H]3CCCCCN3C2=O)cc1 ZINC000372935708 458352807 /nfs/dbraw/zinc/35/28/07/458352807.db2.gz TWHLATNFXRJJFS-KRWDZBQOSA-N 0 0 329.444 3.240 20 10 EGCDRN Cc1cc2ccccc2n1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437008326 458421862 /nfs/dbraw/zinc/42/18/62/458421862.db2.gz PUQCTHBPDSZRNQ-UHFFFAOYSA-N 0 0 349.434 3.441 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)COc1cccc(Cl)c1 ZINC000437009731 458422322 /nfs/dbraw/zinc/42/23/22/458422322.db2.gz LBMOAZUNBBVDEG-UHFFFAOYSA-N 0 0 346.814 3.210 20 10 EGCDRN CCc1ccc(OCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437020460 458422743 /nfs/dbraw/zinc/42/27/43/458422743.db2.gz PWEHQFSRYKFZDX-UHFFFAOYSA-N 0 0 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1298057862 /nfs/dbraw/zinc/05/78/62/1298057862.db2.gz KFMAFXCZSONPQT-POHAHGRESA-N 0 0 349.386 3.459 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccccc1OC(F)F ZINC000588564858 1298084205 /nfs/dbraw/zinc/08/42/05/1298084205.db2.gz FZOOOLPGBSMLDD-VURMDHGXSA-N 0 0 349.333 3.071 20 10 EGCDRN CC[C@@H](CCO)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708170983 1298238184 /nfs/dbraw/zinc/23/81/84/1298238184.db2.gz LMSJOYPLVOCBRO-VIFPVBQESA-N 0 0 336.657 3.306 20 10 EGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCOCC(F)F ZINC000708179919 1298238093 /nfs/dbraw/zinc/23/80/93/1298238093.db2.gz WZXSYGIHZQRXCM-UHFFFAOYSA-N 0 0 344.583 3.179 20 10 EGCDRN Cc1nc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])cs1 ZINC000715761893 1298287334 /nfs/dbraw/zinc/28/73/34/1298287334.db2.gz VVZVEFKWANDWJF-UHFFFAOYSA-N 0 0 331.210 3.349 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c1 ZINC000875497628 1298362993 /nfs/dbraw/zinc/36/29/93/1298362993.db2.gz BFHHWYQJFQTGOJ-INIZCTEOSA-N 0 0 342.443 3.355 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCOCC1 ZINC000745787762 1298481357 /nfs/dbraw/zinc/48/13/57/1298481357.db2.gz FQJUJONSWFYJNM-UHFFFAOYSA-N 0 0 333.476 3.099 20 10 EGCDRN CC(C)[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCS1 ZINC000745788696 1298481438 /nfs/dbraw/zinc/48/14/38/1298481438.db2.gz QELJOHMJQPMUJD-GOSISDBHSA-N 0 0 347.528 3.352 20 10 EGCDRN Cc1cc(CNC(=O)N2CCC[C@@H](O)CC2)c(C)n1-c1ccccc1 ZINC000875880601 1298507921 /nfs/dbraw/zinc/50/79/21/1298507921.db2.gz MBFHQQQRTKNDHW-LJQANCHMSA-N 0 0 341.455 3.151 20 10 EGCDRN Cc1cc(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC000875881342 1298509240 /nfs/dbraw/zinc/50/92/40/1298509240.db2.gz WDBQMWWWUXFKHX-VQIMIIECSA-N 0 0 341.455 3.054 20 10 EGCDRN CCOc1ccc(OC[C@@H](O)CN(CC)c2ccc(OC)cc2)cc1 ZINC000746107772 1298534577 /nfs/dbraw/zinc/53/45/77/1298534577.db2.gz PIUNVTQRCHWEDP-KRWDZBQOSA-N 0 0 345.439 3.360 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccc(Cl)cc1 ZINC000746495529 1298595616 /nfs/dbraw/zinc/59/56/16/1298595616.db2.gz ABDVIHVQVYCMLO-UHFFFAOYSA-N 0 0 345.830 3.244 20 10 EGCDRN COc1ccc([N+](=O)[O-])cc1CN1CCOc2cc(N(C)C)ccc21 ZINC000746493062 1298595985 /nfs/dbraw/zinc/59/59/85/1298595985.db2.gz PNHLZLSFRUDDSW-UHFFFAOYSA-N 0 0 343.383 3.068 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)CC3(C)C)CC2)cc1 ZINC000746763020 1298656531 /nfs/dbraw/zinc/65/65/31/1298656531.db2.gz ZHCQTRIJVCNFSE-OAHLLOKOSA-N 0 0 345.487 3.494 20 10 EGCDRN CN1CCCc2cc(CNC(=O)c3c(O)cccc3Cl)ccc21 ZINC000746890119 1298680413 /nfs/dbraw/zinc/68/04/13/1298680413.db2.gz XEUKZKRJFKNRKL-UHFFFAOYSA-N 0 0 330.815 3.358 20 10 EGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC12CCCC2 ZINC000747359487 1298767764 /nfs/dbraw/zinc/76/77/64/1298767764.db2.gz JZXUWFKBQNLCTL-KRWDZBQOSA-N 0 0 330.497 3.436 20 10 EGCDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)C1=CC(=O)CS1 ZINC000747515793 1298793705 /nfs/dbraw/zinc/79/37/05/1298793705.db2.gz SLXAEWPDPITOSK-UHFFFAOYSA-N 0 0 342.461 3.077 20 10 EGCDRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000747949255 1298895875 /nfs/dbraw/zinc/89/58/75/1298895875.db2.gz LEPFCQBIKDYSFY-MNZLEMJZSA-N 0 0 345.487 3.147 20 10 EGCDRN COc1ccc(O)c(CNC(=O)c2cc(-c3ccccc3)ns2)c1 ZINC000748039227 1298915298 /nfs/dbraw/zinc/91/52/98/1298915298.db2.gz ICXOLZVUAFTTDK-UHFFFAOYSA-N 0 0 340.404 3.454 20 10 EGCDRN CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876684209 1298918969 /nfs/dbraw/zinc/91/89/69/1298918969.db2.gz JWIJIYXHKONKPQ-UHFFFAOYSA-N 0 0 327.371 3.224 20 10 EGCDRN CNc1cccc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000876750582 1298958875 /nfs/dbraw/zinc/95/88/75/1298958875.db2.gz WTXLGCYEJCSWBI-UHFFFAOYSA-N 0 0 339.439 3.136 20 10 EGCDRN O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc2oc3ccccc3c2cc1O ZINC000748265219 1298972902 /nfs/dbraw/zinc/97/29/02/1298972902.db2.gz VSGBFEWQBXAZDT-KGLIPLIRSA-N 0 0 336.391 3.145 20 10 EGCDRN O=C(NCc1ccccc1O)c1ccccc1OCc1cscn1 ZINC000748347163 1298988847 /nfs/dbraw/zinc/98/88/47/1298988847.db2.gz XLMZQTRIISMPJQ-UHFFFAOYSA-N 0 0 340.404 3.358 20 10 EGCDRN O=C(NCc1ccccc1O)c1cccc(OCc2cscn2)c1 ZINC000748350459 1298991090 /nfs/dbraw/zinc/99/10/90/1298991090.db2.gz SRNWEDBOYYTXFC-UHFFFAOYSA-N 0 0 340.404 3.358 20 10 EGCDRN O=C(NCCc1ccc(OC(F)F)cc1)NCc1ccccc1O ZINC000748463209 1299014030 /nfs/dbraw/zinc/01/40/30/1299014030.db2.gz MUKMNQKWIRPENX-UHFFFAOYSA-N 0 0 336.338 3.036 20 10 EGCDRN CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000748615172 1299050838 /nfs/dbraw/zinc/05/08/38/1299050838.db2.gz OLAZJDJCJVARHI-SJORKVTESA-N 0 0 333.476 3.098 20 10 EGCDRN OC1CCN(c2ccc(CNCc3nc(C4CC4)cs3)cc2)CC1 ZINC000877109585 1299159358 /nfs/dbraw/zinc/15/93/58/1299159358.db2.gz BSFALAAXJAQBJE-UHFFFAOYSA-N 0 0 343.496 3.271 20 10 EGCDRN Cc1cc2nc(NCCc3ccc(O)c(O)c3)c3ccccc3n2n1 ZINC000749286806 1299185046 /nfs/dbraw/zinc/18/50/46/1299185046.db2.gz ATNXCDLALVHASG-UHFFFAOYSA-N 0 0 334.379 3.257 20 10 EGCDRN Cc1ccc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c(O)c1 ZINC000877161010 1299187697 /nfs/dbraw/zinc/18/76/97/1299187697.db2.gz CQXJQTMHIUDCKM-GJZGRUSLSA-N 0 0 327.428 3.321 20 10 EGCDRN Cc1cc(C(=O)N2CCc3n[nH]nc3C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749539920 1299234411 /nfs/dbraw/zinc/23/44/11/1299234411.db2.gz FHXUZTLJUPAGAZ-UHFFFAOYSA-N 0 0 349.438 3.028 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000749618894 1299247362 /nfs/dbraw/zinc/24/73/62/1299247362.db2.gz FAKMODXZBGRPEJ-INIZCTEOSA-N 0 0 340.471 3.310 20 10 EGCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000749985951 1299318677 /nfs/dbraw/zinc/31/86/77/1299318677.db2.gz QUHPTLKMWVZJEY-MRXNPFEDSA-N 0 0 340.471 3.076 20 10 EGCDRN CCCSCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751308429 1299536167 /nfs/dbraw/zinc/53/61/67/1299536167.db2.gz WQHLEUNXURXZAF-UHFFFAOYSA-N 0 0 326.425 3.478 20 10 EGCDRN Cc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c(O)c1O ZINC000751532613 1299563917 /nfs/dbraw/zinc/56/39/17/1299563917.db2.gz FMDGHWJRTXGETL-UHFFFAOYSA-N 0 0 347.440 3.101 20 10 EGCDRN CCc1cnc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)o1 ZINC000751945088 1299660525 /nfs/dbraw/zinc/66/05/25/1299660525.db2.gz LPJCZFUQIGNDDD-UHFFFAOYSA-N 0 0 343.408 3.224 20 10 EGCDRN COC(=O)Cc1ccccc1CN1CCCc2cc(OC)ccc21 ZINC000751956504 1299663372 /nfs/dbraw/zinc/66/33/72/1299663372.db2.gz PQTBHQLIALWPTO-UHFFFAOYSA-N 0 0 325.408 3.364 20 10 EGCDRN COC(=O)Cc1ccccc1CN(C)c1ccc(OC)c(OC)c1 ZINC000751965605 1299666737 /nfs/dbraw/zinc/66/67/37/1299666737.db2.gz NIURVUGQVYKYCV-UHFFFAOYSA-N 0 0 329.396 3.056 20 10 EGCDRN Cc1nc(C(C)C)ncc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000877975533 1299679495 /nfs/dbraw/zinc/67/94/95/1299679495.db2.gz KCWZSSSGMUZBJQ-UHFFFAOYSA-N 0 0 326.444 3.247 20 10 EGCDRN O=C(CCCn1cccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000752152576 1299703873 /nfs/dbraw/zinc/70/38/73/1299703873.db2.gz ZWTRXBDBDLGPLC-GOSISDBHSA-N 0 0 342.439 3.182 20 10 EGCDRN CCCc1c(C(=O)NCc2ccc(O)c(O)c2)cnn1C1CCCC1 ZINC000752601698 1299766185 /nfs/dbraw/zinc/76/61/85/1299766185.db2.gz VKYSJZUWSZIARF-UHFFFAOYSA-N 0 0 343.427 3.292 20 10 EGCDRN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](C)c1ccccc1O ZINC000878256363 1299869753 /nfs/dbraw/zinc/86/97/53/1299869753.db2.gz GNTOKOMXVNTIDJ-CYBMUJFWSA-N 0 0 341.411 3.285 20 10 EGCDRN O=[N+]([O-])c1ccc(/C=C\c2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000753146105 1299881628 /nfs/dbraw/zinc/88/16/28/1299881628.db2.gz IHQZEWKNTUFDRW-IWQZZHSRSA-N 0 0 329.331 3.136 20 10 EGCDRN COc1ccc(N2CCN(C(=O)NCC3(C)CCCC3)CC2)cc1F ZINC000753904676 1300038570 /nfs/dbraw/zinc/03/85/70/1300038570.db2.gz GSGCHDQUNIMRAE-UHFFFAOYSA-N 0 0 349.450 3.246 20 10 EGCDRN Cc1cnc(Cl)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000878533691 1300055778 /nfs/dbraw/zinc/05/57/78/1300055778.db2.gz AMLHMBPLPHYXHB-UHFFFAOYSA-N 0 0 329.831 3.356 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)C3CCC3)ccc21 ZINC000754095248 1300085434 /nfs/dbraw/zinc/08/54/34/1300085434.db2.gz ZMIHNTHXEOUXIV-UHFFFAOYSA-N 0 0 343.423 3.431 20 10 EGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000754167722 1300098786 /nfs/dbraw/zinc/09/87/86/1300098786.db2.gz WFNBVDCNCVSHOY-JFIYKMOQSA-N 0 0 345.487 3.147 20 10 EGCDRN C[C@@H](Nc1ccnc2ccncc21)c1ccc(N2CCOCC2)cc1 ZINC000754470350 1300147982 /nfs/dbraw/zinc/14/79/82/1300147982.db2.gz CZUSURCBFCQRQU-OAHLLOKOSA-N 0 0 334.423 3.061 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756072346 1300434502 /nfs/dbraw/zinc/43/45/02/1300434502.db2.gz PXDXLJRAORGMEY-VHSXEESVSA-N 0 0 330.375 3.234 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)C3CCC3)CC2)cc1 ZINC000756097216 1300438353 /nfs/dbraw/zinc/43/83/53/1300438353.db2.gz JYCSCRVMEKOPKT-OAHLLOKOSA-N 0 0 331.460 3.106 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756353234 1300474576 /nfs/dbraw/zinc/47/45/76/1300474576.db2.gz XZVOMOZRMKJESG-ZBFHGGJFSA-N 0 0 341.411 3.226 20 10 EGCDRN C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756427617 1300488431 /nfs/dbraw/zinc/48/84/31/1300488431.db2.gz BEQRWKWVNXOGEC-ZDUSSCGKSA-N 0 0 347.409 3.381 20 10 EGCDRN C[C@@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756446546 1300493761 /nfs/dbraw/zinc/49/37/61/1300493761.db2.gz RUVAAKIDKOFCRQ-HBUWYVDXSA-N 0 0 335.448 3.462 20 10 EGCDRN C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756454743 1300496265 /nfs/dbraw/zinc/49/62/65/1300496265.db2.gz NQGGKZYQPNPFBG-BARDWOONSA-N 0 0 335.448 3.317 20 10 EGCDRN Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756455506 1300496480 /nfs/dbraw/zinc/49/64/80/1300496480.db2.gz SXMFQRJEGPUTLC-GXTWGEPZSA-N 0 0 337.366 3.069 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000756571694 1300524517 /nfs/dbraw/zinc/52/45/17/1300524517.db2.gz CYGKIWAFWOURKP-PWSUYJOCSA-N 0 0 342.386 3.330 20 10 EGCDRN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756577256 1300525865 /nfs/dbraw/zinc/52/58/65/1300525865.db2.gz RGKYYUSKGMYSBT-LKFCYVNXSA-N 0 0 334.229 3.496 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(F)cc2F)c1 ZINC000756577182 1300525968 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DCAARKKILJYJOE-CABCVRRESA-N 0 0 331.485 3.098 20 10 EGCDRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179559927 455058051 /nfs/dbraw/zinc/05/80/51/455058051.db2.gz AJTVOYHMXHAIIL-CQSZACIVSA-N 0 0 345.830 3.291 20 10 EGCDRN O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1)C1CC1 ZINC000179913467 455098338 /nfs/dbraw/zinc/09/83/38/455098338.db2.gz MJBILQDANJUZRI-UHFFFAOYSA-N 0 0 343.254 3.190 20 10 EGCDRN CCOc1cc(NC(=O)NCc2cccc(OC)c2O)ccc1C ZINC000264275860 455195806 /nfs/dbraw/zinc/19/58/06/455195806.db2.gz VRNOLXUPCNOTNB-UHFFFAOYSA-N 0 0 330.384 3.430 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cccc(F)c1F ZINC000183434598 455292865 /nfs/dbraw/zinc/29/28/65/455292865.db2.gz PSFXTZAEVJRFRR-LLVKDONJSA-N 0 0 335.350 3.056 20 10 EGCDRN CO[C@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000183347503 455280689 /nfs/dbraw/zinc/28/06/89/455280689.db2.gz MWPZUUVJHTXDON-APWZRJJASA-N 0 0 348.487 3.075 20 10 EGCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)C ZINC000265225335 455301525 /nfs/dbraw/zinc/30/15/25/455301525.db2.gz YKDXZEZBLRPCAU-HNNXBMFYSA-N 0 0 332.488 3.194 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)N[C@H]3CCCOCC3)cc2)CC1 ZINC000183570675 455307443 /nfs/dbraw/zinc/30/74/43/455307443.db2.gz YNCORTAYTZZWFW-SFHVURJKSA-N 0 0 345.487 3.291 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCOc2c(F)cccc21 ZINC000181327166 455318140 /nfs/dbraw/zinc/31/81/40/455318140.db2.gz OMYYPZHQHGJFEQ-HEWZJLJBSA-N 0 0 343.354 3.280 20 10 EGCDRN CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000159051695 455347664 /nfs/dbraw/zinc/34/76/64/455347664.db2.gz ZBHJFNUUPHLULG-CYBMUJFWSA-N 0 0 329.396 3.305 20 10 EGCDRN CCOc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000190907068 455402378 /nfs/dbraw/zinc/40/23/78/455402378.db2.gz YEWCUSNSVXQPTE-LBPRGKRZSA-N 0 0 330.384 3.249 20 10 EGCDRN CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000266309500 455426774 /nfs/dbraw/zinc/42/67/74/455426774.db2.gz PFGAJBQBEFPVJA-GDBMZVCRSA-N 0 0 327.428 3.129 20 10 EGCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C1CC1 ZINC000175286160 455434909 /nfs/dbraw/zinc/43/49/09/455434909.db2.gz QTKSFYXERCKWNU-DNVCBOLYSA-N 0 0 330.472 3.306 20 10 EGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCOC1 ZINC000266727799 455443908 /nfs/dbraw/zinc/44/39/08/455443908.db2.gz KJISDZSSAVIGCK-AEFFLSMTSA-N 0 0 345.487 3.147 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246299678 455466195 /nfs/dbraw/zinc/46/61/95/455466195.db2.gz BWFLBLDMEHDKNC-JZXOWHBKSA-N 0 0 332.444 3.271 20 10 EGCDRN Cc1cccc(CNc2ccc(Cc3nnc4n3CCC4)cc2)c1O ZINC000191625057 455504566 /nfs/dbraw/zinc/50/45/66/455504566.db2.gz MREXMYDUNIGGFC-UHFFFAOYSA-N 0 0 334.423 3.441 20 10 EGCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1O ZINC000175928986 455517210 /nfs/dbraw/zinc/51/72/10/455517210.db2.gz JTOVCGLZIOSSNS-CHWSQXEVSA-N 0 0 333.334 3.099 20 10 EGCDRN CN(C)C(=O)c1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000267272273 455528802 /nfs/dbraw/zinc/52/88/02/455528802.db2.gz ZUNLRSAEBVFLLS-UHFFFAOYSA-N 0 0 338.455 3.018 20 10 EGCDRN COc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])c(OC)c1OC ZINC000185327180 455541767 /nfs/dbraw/zinc/54/17/67/455541767.db2.gz TVYFTGNDPFULKV-GFCCVEGCSA-N 0 0 349.402 3.450 20 10 EGCDRN C[C@H]1CN(c2ccc(CNC(=O)C3(C)CCC3)cc2F)C[C@H](C)O1 ZINC000267356993 455546260 /nfs/dbraw/zinc/54/62/60/455546260.db2.gz NAUOYDSUGYHBKR-KBPBESRZSA-N 0 0 334.435 3.246 20 10 EGCDRN Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c(O)c1O ZINC000182584594 455546582 /nfs/dbraw/zinc/54/65/82/455546582.db2.gz ALKBJSKLQBXYNW-HNNXBMFYSA-N 0 0 339.391 3.284 20 10 EGCDRN Cc1[nH]ccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000267404127 455549906 /nfs/dbraw/zinc/54/99/06/455549906.db2.gz YAWYDSLNOQXJKK-STQMWFEESA-N 0 0 345.418 3.006 20 10 EGCDRN Cc1[nH]ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000267379477 455550267 /nfs/dbraw/zinc/55/02/67/455550267.db2.gz RRABFGBOEYWIOS-SFHVURJKSA-N 0 0 341.455 3.211 20 10 EGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CCC(=O)c4ccccc43)ccc21 ZINC000283885721 455607548 /nfs/dbraw/zinc/60/75/48/455607548.db2.gz JTADPODYLDCOEL-LJQANCHMSA-N 0 0 348.446 3.446 20 10 EGCDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2CCCC2)cc1 ZINC000192493530 455630537 /nfs/dbraw/zinc/63/05/37/455630537.db2.gz ODMFMAXXKCKFTH-UHFFFAOYSA-N 0 0 329.404 3.332 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](CSC)C2)cc1OC ZINC000292345796 455635070 /nfs/dbraw/zinc/63/50/70/455635070.db2.gz QKPBVEGZDQTQRL-LLVKDONJSA-N 0 0 326.418 3.191 20 10 EGCDRN CCCNc1ccc(CNC(=O)NCc2cccc(OC)c2O)cc1 ZINC000192591008 455646692 /nfs/dbraw/zinc/64/66/92/455646692.db2.gz VOANHOOBARFDRB-UHFFFAOYSA-N 0 0 343.427 3.222 20 10 EGCDRN O=C(Cc1cccc(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000247855296 455650217 /nfs/dbraw/zinc/65/02/17/455650217.db2.gz JLYPYUJUMMBQLT-SFHVURJKSA-N 0 0 343.398 3.282 20 10 EGCDRN COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000284230759 455654698 /nfs/dbraw/zinc/65/46/98/455654698.db2.gz DJUXSAIFFYWQFH-UGSOOPFHSA-N 0 0 332.419 3.493 20 10 EGCDRN CCc1c(C(=O)COc2ccc(N(C)C)cc2)[nH]c(C)c1C(C)=O ZINC000277773005 455662700 /nfs/dbraw/zinc/66/27/00/455662700.db2.gz LMOHFXRPIKKZBC-UHFFFAOYSA-N 0 0 328.412 3.416 20 10 EGCDRN C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192722205 455678600 /nfs/dbraw/zinc/67/86/00/455678600.db2.gz KDVZJDOGYKNXAQ-LLVKDONJSA-N 0 0 347.286 3.196 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(OC)c1OC ZINC000248128791 455684735 /nfs/dbraw/zinc/68/47/35/455684735.db2.gz PRLKWEGZTMSJPK-UHFFFAOYSA-N 0 0 342.439 3.432 20 10 EGCDRN CCC[C@]1(CO)CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000277871774 455691903 /nfs/dbraw/zinc/69/19/03/455691903.db2.gz DPWZBZJVOOYCCX-HXUWFJFHSA-N 0 0 341.455 3.256 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000186190715 455712112 /nfs/dbraw/zinc/71/21/12/455712112.db2.gz QYDONQAZBSFKAP-ZBFHGGJFSA-N 0 0 342.414 3.231 20 10 EGCDRN CC(C)n1nccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000268770950 455712682 /nfs/dbraw/zinc/71/26/82/455712682.db2.gz SQRPQLLFOZUQLW-UHFFFAOYSA-N 0 0 326.444 3.335 20 10 EGCDRN CN(C)c1ccc(CNC(=O)c2ccncc2C(F)(F)F)cc1F ZINC000193069401 455740000 /nfs/dbraw/zinc/74/00/00/455740000.db2.gz LBIFMSRQQIOWJQ-UHFFFAOYSA-N 0 0 341.308 3.236 20 10 EGCDRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186388815 455758642 /nfs/dbraw/zinc/75/86/42/455758642.db2.gz NXNIWDXCTUAUHL-KUHUBIRLSA-N 0 0 343.423 3.311 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCCCCCCO)cc1F ZINC000271790636 455760852 /nfs/dbraw/zinc/76/08/52/455760852.db2.gz IYHUDCNRZDLMEL-UHFFFAOYSA-N 0 0 339.455 3.024 20 10 EGCDRN CCC(CC)n1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000186398744 455761134 /nfs/dbraw/zinc/76/11/34/455761134.db2.gz ONTOFUKWLTUUAI-GFCCVEGCSA-N 0 0 345.443 3.325 20 10 EGCDRN COc1c(O)c(CN2CC(C)(C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000292824693 455762846 /nfs/dbraw/zinc/76/28/46/455762846.db2.gz QKASKKZLBZHUOD-QGZVFWFLSA-N 0 0 343.383 3.287 20 10 EGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000271818919 455773463 /nfs/dbraw/zinc/77/34/63/455773463.db2.gz BZCUFMLMMJXJMK-UHFFFAOYSA-N 0 0 348.830 3.288 20 10 EGCDRN CCc1nc(C)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000293497097 455789216 /nfs/dbraw/zinc/78/92/16/455789216.db2.gz WVSGTEFBLNFEKT-OAHLLOKOSA-N 0 0 344.411 3.072 20 10 EGCDRN Cc1cccc(CN(C)Cc2nc([C@@H](C)OCC(C)C)no2)c1O ZINC000271892050 455797596 /nfs/dbraw/zinc/79/75/96/455797596.db2.gz XJODMEHNZFTFOG-CQSZACIVSA-N 0 0 333.432 3.449 20 10 EGCDRN COc1cc(NCc2cc(OC)c(OC)cc2O)cc(OC)c1C ZINC000293852655 455799381 /nfs/dbraw/zinc/79/93/81/455799381.db2.gz HUTZJICLKQGFCT-UHFFFAOYSA-N 0 0 333.384 3.347 20 10 EGCDRN O=C(C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)NCC1CC1 ZINC000294079904 455804672 /nfs/dbraw/zinc/80/46/72/455804672.db2.gz IJAMMHRJTCVIDF-LJQANCHMSA-N 0 0 338.451 3.182 20 10 EGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCCO1 ZINC000271992690 455814389 /nfs/dbraw/zinc/81/43/89/455814389.db2.gz BOWJPFMKLAJHPH-QAPCUYQASA-N 0 0 331.460 3.044 20 10 EGCDRN COc1c([O-])c(C[NH2+]Cc2cccc(CSC)c2)ccc1[N+](=O)[O-] ZINC000278351702 455826645 /nfs/dbraw/zinc/82/66/45/455826645.db2.gz IRRCPZVZZFZSDU-UHFFFAOYSA-N 0 0 348.424 3.462 20 10 EGCDRN COC1CCN(c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1 ZINC000295035495 455836469 /nfs/dbraw/zinc/83/64/69/455836469.db2.gz WKKAWJPSBKRXNT-UHFFFAOYSA-N 0 0 344.415 3.072 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C(=O)OCC)c(C)[nH]1 ZINC000295283409 455845551 /nfs/dbraw/zinc/84/55/51/455845551.db2.gz PONXAEGXOOSPAR-UHFFFAOYSA-N 0 0 344.411 3.258 20 10 EGCDRN COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000278762889 455847090 /nfs/dbraw/zinc/84/70/90/455847090.db2.gz OUAMZUGXCKAKFA-GHMZBOCLSA-N 0 0 333.259 3.070 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CSCCS1 ZINC000269735918 455852524 /nfs/dbraw/zinc/85/25/24/455852524.db2.gz XPKFLJARFJLOEA-MRXNPFEDSA-N 0 0 338.542 3.340 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCSC1 ZINC000279075456 455857322 /nfs/dbraw/zinc/85/73/22/455857322.db2.gz DJCLEAVGSKBYFQ-INIZCTEOSA-N 0 0 335.517 3.426 20 10 EGCDRN CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000296050885 455867610 /nfs/dbraw/zinc/86/76/10/455867610.db2.gz VDRLMGWWQQKOIU-OAHLLOKOSA-N 0 0 347.286 3.196 20 10 EGCDRN COC(=O)CCN(C(=O)/C=C/c1scnc1C)c1ccccc1C ZINC000187077763 455868685 /nfs/dbraw/zinc/86/86/85/455868685.db2.gz ZWOBNTJMJZUWEC-CMDGGOBGSA-N 0 0 344.436 3.369 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000187105731 455870730 /nfs/dbraw/zinc/87/07/30/455870730.db2.gz CKWPUGZOCMAILA-UHFFFAOYSA-N 0 0 343.223 3.055 20 10 EGCDRN CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000279703224 455871554 /nfs/dbraw/zinc/87/15/54/455871554.db2.gz JJBWBAHBDOICGP-KRWDZBQOSA-N 0 0 345.464 3.137 20 10 EGCDRN Cc1cc(C(=O)N2CCCC[C@H]2C[C@@H](C)O)c(C)n1-c1ccccn1 ZINC000279756833 455872844 /nfs/dbraw/zinc/87/28/44/455872844.db2.gz LPSLUUAZGKOSHT-WBVHZDCISA-N 0 0 341.455 3.255 20 10 EGCDRN CCc1nnc([C@@H](C)NCc2ccc(N(C)C)cc2C(F)(F)F)[nH]1 ZINC000279784327 455874078 /nfs/dbraw/zinc/87/40/78/455874078.db2.gz BDVQOOQTJZVDFJ-SNVBAGLBSA-N 0 0 341.381 3.303 20 10 EGCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000279981341 455879539 /nfs/dbraw/zinc/87/95/39/455879539.db2.gz LKDPJLNAUPAYEO-KBXCAEBGSA-N 0 0 339.439 3.129 20 10 EGCDRN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)c2ccccc2O1 ZINC000296221286 455883671 /nfs/dbraw/zinc/88/36/71/455883671.db2.gz JJSISXNYNLAGFI-RDTXWAMCSA-N 0 0 339.439 3.464 20 10 EGCDRN Cc1nc(N2CCOCC2)ccc1N[C@@H]1CCc2cccc(O)c21 ZINC000296232195 455886665 /nfs/dbraw/zinc/88/66/65/455886665.db2.gz ANCUVNMLHWUPAY-MRXNPFEDSA-N 0 0 325.412 3.032 20 10 EGCDRN Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c(O)c1C ZINC000285833773 455924849 /nfs/dbraw/zinc/92/48/49/455924849.db2.gz XWBQUORXCHHFQK-CQSZACIVSA-N 0 0 325.474 3.017 20 10 EGCDRN Cc1cnc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 ZINC000296463763 455945323 /nfs/dbraw/zinc/94/53/23/455945323.db2.gz OYCHRLMVJMFROG-CHWSQXEVSA-N 0 0 349.475 3.494 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2CCCCC2)nc1 ZINC000272437077 455950664 /nfs/dbraw/zinc/95/06/64/455950664.db2.gz MCWDCAHREHGLGY-WEVVVXLNSA-N 0 0 339.395 3.135 20 10 EGCDRN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187787822 455954014 /nfs/dbraw/zinc/95/40/14/455954014.db2.gz VSZMVKUFIXALAB-LLVKDONJSA-N 0 0 338.354 3.043 20 10 EGCDRN CC1CCN(c2ccc(CN3C(=O)[C@@H]4CCCCN4C3=O)cc2)CC1 ZINC000272456602 455956584 /nfs/dbraw/zinc/95/65/84/455956584.db2.gz PTGOHGNULOYYIU-SFHVURJKSA-N 0 0 341.455 3.240 20 10 EGCDRN CC[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)cc1[O-] ZINC000286188988 455996440 /nfs/dbraw/zinc/99/64/40/455996440.db2.gz QTEJPAVEPQZMOI-QWHCGFSZSA-N 0 0 348.340 3.125 20 10 EGCDRN C[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)c1ncn(C)n1 ZINC000296683366 456009097 /nfs/dbraw/zinc/00/90/97/456009097.db2.gz HAHRAZFYHMJXSR-CQSZACIVSA-N 0 0 341.484 3.364 20 10 EGCDRN CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCCO1 ZINC000296923544 456067714 /nfs/dbraw/zinc/06/77/14/456067714.db2.gz AQQCAKUIQXIZIE-IBGZPJMESA-N 0 0 345.487 3.243 20 10 EGCDRN COc1ccc(O)c(CNc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000301275160 456078444 /nfs/dbraw/zinc/07/84/44/456078444.db2.gz KUJZZZZVZULSBV-UHFFFAOYSA-N 0 0 347.378 3.142 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnc2c1ncn2C ZINC000287826827 456079832 /nfs/dbraw/zinc/07/98/32/456079832.db2.gz KKEPVEDLMUORIO-UHFFFAOYSA-N 0 0 338.411 3.116 20 10 EGCDRN O=[N+]([O-])c1c(NCc2ccc(N3CC=CC3)cc2)nc2sccn21 ZINC000301357588 456097534 /nfs/dbraw/zinc/09/75/34/456097534.db2.gz NNIOJSNRZCIESP-UHFFFAOYSA-N 0 0 341.396 3.292 20 10 EGCDRN CC[C@H]1C[C@@H](CC(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000272879649 456098026 /nfs/dbraw/zinc/09/80/26/456098026.db2.gz VFHHAJFVBYPKSD-HOCLYGCPSA-N 0 0 331.456 3.483 20 10 EGCDRN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cscn1 ZINC000271024235 456100417 /nfs/dbraw/zinc/10/04/17/456100417.db2.gz AZHYDVXSAJSRBU-LBPRGKRZSA-N 0 0 335.448 3.094 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000188690823 456113515 /nfs/dbraw/zinc/11/35/15/456113515.db2.gz XYVQLBHPZOPYEE-HNNXBMFYSA-N 0 0 347.503 3.042 20 10 EGCDRN CC[C@H](C)[C@@H](NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(F)(F)F ZINC000281039745 456115917 /nfs/dbraw/zinc/11/59/17/456115917.db2.gz NXLIYTYOQCVWPN-PKFCDNJMSA-N 0 0 348.365 3.305 20 10 EGCDRN Oc1cccc2c1[C@H]([NH2+]Cc1ccnc(OC3CCOCC3)c1)CC2 ZINC000297159913 456136414 /nfs/dbraw/zinc/13/64/14/456136414.db2.gz BHLRFNZZKHFYPZ-QGZVFWFLSA-N 0 0 340.423 3.122 20 10 EGCDRN CC(C)n1cc(CNCc2ccc(N3CCC(C)CC3)cc2)nn1 ZINC000289714117 456138020 /nfs/dbraw/zinc/13/80/20/456138020.db2.gz LMSBKUBZCZRWGI-UHFFFAOYSA-N 0 0 327.476 3.385 20 10 EGCDRN CN(Cc1nccn1CC(F)(F)F)Cc1c(O)cccc1Cl ZINC000271150225 456142305 /nfs/dbraw/zinc/14/23/05/456142305.db2.gz KNIAWQLEDWUWRP-UHFFFAOYSA-N 0 0 333.741 3.436 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000297289705 456174408 /nfs/dbraw/zinc/17/44/08/456174408.db2.gz HGNDNMQXIPQTST-GOSISDBHSA-N 0 0 347.503 3.225 20 10 EGCDRN COc1ccc(N2CCCN(c3nc(C)nc(C)c3C)CC2)cc1 ZINC000301674345 456181772 /nfs/dbraw/zinc/18/17/72/456181772.db2.gz GUQLKDYTLUGULN-UHFFFAOYSA-N 0 0 326.444 3.127 20 10 EGCDRN CCn1ccnc1[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1O ZINC000281264380 456183450 /nfs/dbraw/zinc/18/34/50/456183450.db2.gz YDIFDYGXLOBVGJ-HNNXBMFYSA-N 0 0 345.443 3.353 20 10 EGCDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000236995906 456216095 /nfs/dbraw/zinc/21/60/95/456216095.db2.gz HDHBKRBMHSUQJJ-CQSZACIVSA-N 0 0 339.439 3.112 20 10 EGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(OC)c(OC)c2)c1 ZINC000273354368 456225628 /nfs/dbraw/zinc/22/56/28/456225628.db2.gz CGYPQVUFVJSUNP-NSHDSACASA-N 0 0 331.368 3.369 20 10 EGCDRN CN(C)c1ccc(CNc2ncnc3c2cnn3C(C)(C)C)cc1F ZINC000301831325 456227761 /nfs/dbraw/zinc/22/77/61/456227761.db2.gz IICFCYHASRTJBP-UHFFFAOYSA-N 0 0 342.422 3.399 20 10 EGCDRN C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273437048 456230050 /nfs/dbraw/zinc/23/00/50/456230050.db2.gz XDOUYKMLKOJWFU-GFCCVEGCSA-N 0 0 347.440 3.071 20 10 EGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273467886 456233108 /nfs/dbraw/zinc/23/31/08/456233108.db2.gz JGYACVNTVYAVRW-XYZKALLWSA-N 0 0 332.400 3.299 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000273474272 456233508 /nfs/dbraw/zinc/23/35/08/456233508.db2.gz KJYXKMKCQHVSPO-BDJLRTHQSA-N 0 0 345.370 3.492 20 10 EGCDRN CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nnc(C)s2)c1O ZINC000273614391 456240673 /nfs/dbraw/zinc/24/06/73/456240673.db2.gz OXONADLYWXRNHW-SSDOTTSWSA-N 0 0 325.821 3.259 20 10 EGCDRN CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000273608232 456240836 /nfs/dbraw/zinc/24/08/36/456240836.db2.gz LDYSTQKZYZCWAZ-UHFFFAOYSA-N 0 0 327.388 3.233 20 10 EGCDRN COCCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CCCC1 ZINC000273603114 456241601 /nfs/dbraw/zinc/24/16/01/456241601.db2.gz SJGQFNPDLMGLNP-AWEZNQCLSA-N 0 0 335.444 3.426 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](C)c2nnc(C)s2)c(C)n1-c1ccccn1 ZINC000274062387 456249650 /nfs/dbraw/zinc/24/96/50/456249650.db2.gz VLSAYABVVZSRJL-NSHDSACASA-N 0 0 341.440 3.140 20 10 EGCDRN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cccc(O)c1O ZINC000275166828 456270977 /nfs/dbraw/zinc/27/09/77/456270977.db2.gz VRAKLWKIKRLYRR-RDJZCZTQSA-N 0 0 343.379 3.032 20 10 EGCDRN CC(C)(C)c1cc(CNc2nnc(CO)o2)c(O)c(C(C)(C)C)c1 ZINC000275205310 456272330 /nfs/dbraw/zinc/27/23/30/456272330.db2.gz GWPVMFVMJRJZIK-UHFFFAOYSA-N 0 0 333.432 3.475 20 10 EGCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)cc1F ZINC000275502645 456275754 /nfs/dbraw/zinc/27/57/54/456275754.db2.gz JQWXPZMQZKNHIB-WMZOPIPTSA-N 0 0 346.450 3.025 20 10 EGCDRN Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000275541821 456277373 /nfs/dbraw/zinc/27/73/73/456277373.db2.gz MSLIXECWDXBXJR-JSGCOSHPSA-N 0 0 342.226 3.052 20 10 EGCDRN Cc1cc(Br)cc([C@H](C)N[C@H](C)c2ncn(C)n2)c1O ZINC000275789443 456315010 /nfs/dbraw/zinc/31/50/10/456315010.db2.gz WYEZMMIUVACQRS-VHSXEESVSA-N 0 0 339.237 3.003 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1csc(NC(C)=O)n1 ZINC000282513796 456537576 /nfs/dbraw/zinc/53/75/76/456537576.db2.gz OTZKGFRSMPFDKP-UHFFFAOYSA-N 0 0 347.440 3.250 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000282524211 456540986 /nfs/dbraw/zinc/54/09/86/456540986.db2.gz PTBVNMOFNROMCU-UHFFFAOYSA-N 0 0 346.387 3.028 20 10 EGCDRN CCN(CC)c1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1F ZINC000291161847 456549903 /nfs/dbraw/zinc/54/99/03/456549903.db2.gz CLJNAWBCAUXIEZ-CQSZACIVSA-N 0 0 330.394 3.121 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1 ZINC000298947307 456574157 /nfs/dbraw/zinc/57/41/57/456574157.db2.gz HAUXFNHFWSOYBZ-UHFFFAOYSA-N 0 0 339.439 3.128 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000282735485 456607743 /nfs/dbraw/zinc/60/77/43/456607743.db2.gz YDCXXQOGEAEGTO-UHFFFAOYSA-N 0 0 343.427 3.234 20 10 EGCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCC1(F)F ZINC000291348317 456614298 /nfs/dbraw/zinc/61/42/98/456614298.db2.gz SWJSKATXJQMCKZ-NSHDSACASA-N 0 0 329.366 3.078 20 10 EGCDRN Cc1nn(-c2ccccn2)c(C)c1CN(C)c1ccc2c(c1)OCO2 ZINC000282839120 456640854 /nfs/dbraw/zinc/64/08/54/456640854.db2.gz RKAPWRBWNUVIHE-UHFFFAOYSA-N 0 0 336.395 3.249 20 10 EGCDRN O=C(NCc1ccccc1O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000299514740 456714852 /nfs/dbraw/zinc/71/48/52/456714852.db2.gz OVFBWBLILFIXOA-KRWDZBQOSA-N 0 0 342.395 3.272 20 10 EGCDRN Cc1ccccc1C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000277226823 456732551 /nfs/dbraw/zinc/73/25/51/456732551.db2.gz IFEZZFAQZAGDLM-SFHVURJKSA-N 0 0 326.440 3.094 20 10 EGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@H]1OCCc2sccc21 ZINC000291725376 456734919 /nfs/dbraw/zinc/73/49/19/456734919.db2.gz NDGNVTFDYXUNSB-QLJPJBMISA-N 0 0 334.397 3.154 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000283489274 456790966 /nfs/dbraw/zinc/79/09/66/456790966.db2.gz XVPUUWVGRKXSDC-DOTOQJQBSA-N 0 0 334.460 3.255 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1c(C)nn(C)c1C ZINC000283644794 456817806 /nfs/dbraw/zinc/81/78/06/456817806.db2.gz JDMTZABCIVBUKE-UHFFFAOYSA-N 0 0 344.459 3.254 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000283697898 456825654 /nfs/dbraw/zinc/82/56/54/456825654.db2.gz QHLHGDRABAHTGW-OAHLLOKOSA-N 0 0 333.476 3.187 20 10 EGCDRN COc1cc(O)c(CN2CC(C)(C)[C@@H]2c2cccnc2)cc1OC ZINC000292096116 456853147 /nfs/dbraw/zinc/85/31/47/456853147.db2.gz OKFOTGVBFXHWCY-SFHVURJKSA-N 0 0 328.412 3.388 20 10 EGCDRN Cc1nn(C(C)C)c(C)c1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000292185021 456879372 /nfs/dbraw/zinc/87/93/72/456879372.db2.gz NGGKNZYFANRLKO-UHFFFAOYSA-N 0 0 346.450 3.145 20 10 EGCDRN CC(C)c1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000354653197 457299102 /nfs/dbraw/zinc/29/91/02/457299102.db2.gz FAXWFMQXTHAWPX-UHFFFAOYSA-N 0 0 325.412 3.310 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000352126241 457340527 /nfs/dbraw/zinc/34/05/27/457340527.db2.gz QZBYDJULPOASIV-IJEWVQPXSA-N 0 0 327.472 3.364 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CSC[C@@H]3C)ccc21 ZINC000356072398 457446609 /nfs/dbraw/zinc/44/66/09/457446609.db2.gz WAHZRGIDRILRIG-YVEFUNNKSA-N 0 0 346.496 3.386 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c[nH]nc1-c1ccccn1 ZINC000356180307 457510510 /nfs/dbraw/zinc/51/05/10/457510510.db2.gz ZRNSEUMOIULIMF-UHFFFAOYSA-N 0 0 345.406 3.202 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccnc2ccncc21 ZINC000357463837 457544682 /nfs/dbraw/zinc/54/46/82/457544682.db2.gz BFYUEKRGZRXHBD-UHFFFAOYSA-N 0 0 330.391 3.360 20 10 EGCDRN COc1ccccc1-c1noc([C@@H](C)NCc2ccccc2O)n1 ZINC000364300650 457554378 /nfs/dbraw/zinc/55/43/78/457554378.db2.gz LSYSHGVTWUAVRN-GFCCVEGCSA-N 0 0 325.368 3.302 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(Br)cc1O ZINC000370393063 457638249 /nfs/dbraw/zinc/63/82/49/457638249.db2.gz AAWPDKZAIQGIFP-CABZTGNLSA-N 0 0 336.233 3.086 20 10 EGCDRN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000374789247 457707805 /nfs/dbraw/zinc/70/78/05/457707805.db2.gz ULYPKBQFBZNDDF-LBPRGKRZSA-N 0 0 348.834 3.107 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2CCCc3nn(C)cc32)c(C)n1-c1ccccn1 ZINC000374879425 457725408 /nfs/dbraw/zinc/72/54/08/457725408.db2.gz PEMIIKARNFWCMJ-QGZVFWFLSA-N 0 0 349.438 3.030 20 10 EGCDRN Oc1ccc(Br)cc1CNc1cnc2c(c1)COCC2 ZINC000375042962 457768640 /nfs/dbraw/zinc/76/86/40/457768640.db2.gz UUSKFBPKSODUFZ-UHFFFAOYSA-N 0 0 335.201 3.235 20 10 EGCDRN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(F)cc1[O-] ZINC000367520435 457961195 /nfs/dbraw/zinc/96/11/95/457961195.db2.gz WOHGUKUHFCKWNA-INIZCTEOSA-N 0 0 326.375 3.353 20 10 EGCDRN CC(C)(C)[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)c2ccccc21 ZINC000367692632 457971853 /nfs/dbraw/zinc/97/18/53/457971853.db2.gz YLFRZKWHZVZCHK-CQSZACIVSA-N 0 0 326.396 3.098 20 10 EGCDRN CC(=O)Nc1cccc2c1CCCN2C(=O)/C=C/c1cncc(F)c1 ZINC000371565611 457991288 /nfs/dbraw/zinc/99/12/88/457991288.db2.gz SATNAQPVAQLJCA-BQYQJAHWSA-N 0 0 339.370 3.172 20 10 EGCDRN CN1CCCc2cc(CNC(=O)N3CC[C@H](c4ccco4)C3)ccc21 ZINC000369200889 458122083 /nfs/dbraw/zinc/12/20/83/458122083.db2.gz PNNKDXXVYGPAFE-KRWDZBQOSA-N 0 0 339.439 3.361 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](OCC3CC3)C2)cc1OC ZINC000372265932 458254657 /nfs/dbraw/zinc/25/46/57/458254657.db2.gz COSKMFPYJGTQLR-CYBMUJFWSA-N 0 0 336.388 3.007 20 10 EGCDRN CN(c1ccc(CNC(=O)[C@@H]2C[C@@]23CCOC3)cc1)C1CCCCC1 ZINC000373420645 458488723 /nfs/dbraw/zinc/48/87/23/458488723.db2.gz DGBHIDZFXKGCRE-PZJWPPBQSA-N 0 0 342.483 3.498 20 10 EGCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCSc2ncccc21 ZINC000377396721 458499430 /nfs/dbraw/zinc/49/94/30/458499430.db2.gz GYYIWURPCZRYFF-UHFFFAOYSA-N 0 0 338.392 3.193 20 10 EGCDRN CC[C@@]1(C)CN(C(=O)NCc2c(C)c3ccccc3n2C)CCO1 ZINC000472223937 458775236 /nfs/dbraw/zinc/77/52/36/458775236.db2.gz QDJURXZKTXABAN-IBGZPJMESA-N 0 0 329.444 3.197 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC12CCOCC2 ZINC000572454662 459580314 /nfs/dbraw/zinc/58/03/14/459580314.db2.gz LYWDYWGTTLUVPE-HNNXBMFYSA-N 0 0 341.455 3.103 20 10 EGCDRN CN(C(=O)/C=C\c1c(Cl)nc2ccccn21)c1ncccc1F ZINC000492232013 459696350 /nfs/dbraw/zinc/69/63/50/459696350.db2.gz ODHIGLWHYRTRRA-FPLPWBNLSA-N 0 0 330.750 3.198 20 10 EGCDRN COc1cc(N(C)C(=O)/C=C/c2ccc(C)nc2)cc(OC)c1OC ZINC000492428868 459704939 /nfs/dbraw/zinc/70/49/39/459704939.db2.gz PHXHMQFTBBULGK-CMDGGOBGSA-N 0 0 342.395 3.092 20 10 EGCDRN Cc1ncsc1/C=C/C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000492656255 459715650 /nfs/dbraw/zinc/71/56/50/459715650.db2.gz VRHHEKCVUOIRED-VFNNOXKTSA-N 0 0 325.437 3.480 20 10 EGCDRN COc1cc(N(C)C(=O)/C=C\c2scnc2C)cc(OC)c1OC ZINC000492716562 459718225 /nfs/dbraw/zinc/71/82/25/459718225.db2.gz NPPOQMOYGYMBMX-SREVYHEPSA-N 0 0 348.424 3.154 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cc2ccccc2o1 ZINC000608250374 461019042 /nfs/dbraw/zinc/01/90/42/461019042.db2.gz ZGRYHCCCNIJDDZ-UHFFFAOYSA-N 0 0 336.391 3.467 20 10 EGCDRN COc1ccc(N2CCC(NC(=S)NC3CCCCC3)CC2)cc1 ZINC000726493333 574559781 /nfs/dbraw/zinc/55/97/81/574559781.db2.gz JGEAXUYQFSQYES-UHFFFAOYSA-N 0 0 347.528 3.461 20 10 EGCDRN Cc1cc(C(=O)COC(=O)C(C)(C)CO)c(C)n1-c1ccccc1C ZINC000726666562 574565481 /nfs/dbraw/zinc/56/54/81/574565481.db2.gz AZYGAKRAVOOYEF-UHFFFAOYSA-N 0 0 343.423 3.147 20 10 EGCDRN Nc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc(Cl)n1 ZINC000726770577 574570599 /nfs/dbraw/zinc/57/05/99/574570599.db2.gz XNSSLKAXTQYNIJ-UHFFFAOYSA-N 0 0 344.846 3.238 20 10 EGCDRN CCN(Cc1nccn1CC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000728570118 574758863 /nfs/dbraw/zinc/75/88/63/574758863.db2.gz WXLNTIQBQPFYKK-UHFFFAOYSA-N 0 0 343.349 3.489 20 10 EGCDRN COc1ccc(CCC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000728980478 574790834 /nfs/dbraw/zinc/79/08/34/574790834.db2.gz GZNBAGUWIWYQBV-CYBMUJFWSA-N 0 0 329.396 3.219 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2-n2cccn2)c1 ZINC000729535157 574869115 /nfs/dbraw/zinc/86/91/15/574869115.db2.gz LMUMEIIVJSXOOR-CYBMUJFWSA-N 0 0 337.379 3.078 20 10 EGCDRN COc1cccc(CNC(=O)c2ccc(OCC(C)C)cc2)c1O ZINC000729861763 574889606 /nfs/dbraw/zinc/88/96/06/574889606.db2.gz ZILPGIJOBPLEGN-UHFFFAOYSA-N 0 0 329.396 3.366 20 10 EGCDRN CC(C)OC1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000730675674 575009743 /nfs/dbraw/zinc/00/97/43/575009743.db2.gz OQUYMFWXQHDIDY-UHFFFAOYSA-N 0 0 345.487 3.168 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3O2)cc1F ZINC000731346574 575067275 /nfs/dbraw/zinc/06/72/75/575067275.db2.gz MGKKLIHFHTUQQK-IBGZPJMESA-N 0 0 342.414 3.292 20 10 EGCDRN O=C(NCC1(c2ccc(F)cc2)CCOCC1)C1=CC(=O)CS1 ZINC000731869969 575213661 /nfs/dbraw/zinc/21/36/61/575213661.db2.gz FLKITFWIVUCUHR-UHFFFAOYSA-N 0 0 335.400 3.071 20 10 EGCDRN O=C(C1=CC(=O)CS1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000731866392 575216252 /nfs/dbraw/zinc/21/62/52/575216252.db2.gz HKQSEZOTZFHTHP-UHFFFAOYSA-N 0 0 327.409 3.350 20 10 EGCDRN Cn1ccnc1[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000732267394 575250761 /nfs/dbraw/zinc/25/07/61/575250761.db2.gz XTRLVUKMNVLZLN-AWEZNQCLSA-N 0 0 347.827 3.360 20 10 EGCDRN CC[C@H](CNC(=O)C1=CC(=O)CS1)N1CCc2ccccc2C1 ZINC000732268401 575250932 /nfs/dbraw/zinc/25/09/32/575250932.db2.gz FPWCCYGSXYAGPW-OAHLLOKOSA-N 0 0 330.453 3.020 20 10 EGCDRN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)C1=CC(=O)CS1 ZINC000732273576 575252191 /nfs/dbraw/zinc/25/21/91/575252191.db2.gz DTNOWEGANMPLHA-UHFFFAOYSA-N 0 0 336.376 3.416 20 10 EGCDRN COCCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC000732276837 575252904 /nfs/dbraw/zinc/25/29/04/575252904.db2.gz SXQADMZSKXKKHT-UHFFFAOYSA-N 0 0 327.789 3.385 20 10 EGCDRN CSc1ccccc1NC(=O)[C@H](C)OC(=O)C1=CC(=O)CS1 ZINC000732353845 575261708 /nfs/dbraw/zinc/26/17/08/575261708.db2.gz BFVWJNLNRLODKL-VIFPVBQESA-N 0 0 337.422 3.360 20 10 EGCDRN CC(C)[C@H](OC(=O)C1=CC(=O)CS1)C(=O)N(C)C1CCCCC1 ZINC000732354817 575262068 /nfs/dbraw/zinc/26/20/68/575262068.db2.gz SECKMBZQLWNHEW-HNNXBMFYSA-N 0 0 339.457 3.426 20 10 EGCDRN CC1(C)C[C@@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000732892963 575294979 /nfs/dbraw/zinc/29/49/79/575294979.db2.gz KIJHZPNGWYJSBQ-CVEARBPZSA-N 0 0 332.444 3.129 20 10 EGCDRN COC1CCN(C(C)(C)C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000733328393 575328080 /nfs/dbraw/zinc/32/80/80/575328080.db2.gz SZFBHXAUBNYSCM-UHFFFAOYSA-N 0 0 326.868 3.025 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCC2CCSCC2)cc1 ZINC000733343360 575329241 /nfs/dbraw/zinc/32/92/41/575329241.db2.gz OUYLORKBFOJLGF-UHFFFAOYSA-N 0 0 335.517 3.475 20 10 EGCDRN O=C(OCc1cccnc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000733384862 575332838 /nfs/dbraw/zinc/33/28/38/575332838.db2.gz HCVOUXBKTVUBEB-UHFFFAOYSA-N 0 0 343.338 3.214 20 10 EGCDRN CCc1nc(COC(=O)c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC000733412251 575334559 /nfs/dbraw/zinc/33/45/59/575334559.db2.gz PDGRLMVBRNYZCQ-UHFFFAOYSA-N 0 0 325.368 3.397 20 10 EGCDRN Oc1ccccc1C[N@@H+](C[C@H](O)COCc1ccco1)C1CCCC1 ZINC000733613632 575375233 /nfs/dbraw/zinc/37/52/33/575375233.db2.gz FBMWFMCOKMLAKP-SFHVURJKSA-N 0 0 345.439 3.308 20 10 EGCDRN O=S(=O)(NCCCSc1nccs1)c1cccc(Cl)c1 ZINC000733899633 575407044 /nfs/dbraw/zinc/40/70/44/575407044.db2.gz LIQYHTQUPKZWAJ-UHFFFAOYSA-N 0 0 348.902 3.257 20 10 EGCDRN CC[C@H](OC1CCCC1)C(=O)NCCCSc1nccs1 ZINC000733974408 575417064 /nfs/dbraw/zinc/41/70/64/575417064.db2.gz QTKIUDOWFTXRPY-ZDUSSCGKSA-N 0 0 328.503 3.479 20 10 EGCDRN CC(=O)c1ccc(CC(=O)NCCCSc2nccs2)cc1 ZINC000733972762 575419547 /nfs/dbraw/zinc/41/95/47/575419547.db2.gz LFHUTZJYJXZJTA-UHFFFAOYSA-N 0 0 334.466 3.187 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCOc1cccnc1 ZINC000733987744 575423212 /nfs/dbraw/zinc/42/32/12/575423212.db2.gz HCMFBSRBKHHNRR-UHFFFAOYSA-N 0 0 341.436 3.359 20 10 EGCDRN COc1ccc(O)c(CNC(=O)CCCOc2ccc(F)cc2)c1 ZINC000734015214 575427302 /nfs/dbraw/zinc/42/73/02/575427302.db2.gz AUMVNAWVIZIWJA-UHFFFAOYSA-N 0 0 333.359 3.015 20 10 EGCDRN COc1ccc(O)c(CNC(=O)N[C@H](c2cccs2)C2CC2)c1 ZINC000734064615 575428624 /nfs/dbraw/zinc/42/86/24/575428624.db2.gz HCAFAPXXGKFKCB-INIZCTEOSA-N 0 0 332.425 3.413 20 10 EGCDRN CCOc1ccc(OC)cc1NC(=O)NCc1cc(OC)ccc1O ZINC000734062894 575432755 /nfs/dbraw/zinc/43/27/55/575432755.db2.gz BJCVYRJFAOEKML-UHFFFAOYSA-N 0 0 346.383 3.130 20 10 EGCDRN CCC[C@@H](NC(=O)NCc1cc(OC)ccc1O)c1ccccn1 ZINC000734070100 575435173 /nfs/dbraw/zinc/43/51/73/575435173.db2.gz AVUIFNOEFVEISF-MRXNPFEDSA-N 0 0 329.400 3.136 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC000734405391 575481080 /nfs/dbraw/zinc/48/10/80/575481080.db2.gz FXBBBJUMEBAEPX-UHFFFAOYSA-N 0 0 334.423 3.177 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000734407134 575481570 /nfs/dbraw/zinc/48/15/70/575481570.db2.gz BPEJTSPQRWDPCQ-WDZFZDKYSA-N 0 0 339.395 3.299 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC1(Cl)Cl ZINC000734522530 575507943 /nfs/dbraw/zinc/50/79/43/575507943.db2.gz QRXBEDUMDRVUOC-GFCCVEGCSA-N 0 0 330.259 3.054 20 10 EGCDRN O=C(NCc1nc(-c2cccc(Cl)c2)no1)C1=CC(=O)CS1 ZINC000734551247 575511447 /nfs/dbraw/zinc/51/14/47/575511447.db2.gz OIRNTYKDNRXBMB-UHFFFAOYSA-N 0 0 335.772 3.087 20 10 EGCDRN Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2C)no1 ZINC000734686489 575536769 /nfs/dbraw/zinc/53/67/69/575536769.db2.gz PIYWEPZKFNNMGN-SFHVURJKSA-N 0 0 342.443 3.404 20 10 EGCDRN Cn1cc(CCN2CCCc3cc(OC(F)(F)F)ccc32)cn1 ZINC000735919132 575736928 /nfs/dbraw/zinc/73/69/28/575736928.db2.gz ATVKWDCHPHQSGY-UHFFFAOYSA-N 0 0 325.334 3.314 20 10 EGCDRN CN(C)c1ccc(CNc2cc(-c3nn[nH]n3)c3ccccc3n2)cc1 ZINC000736780240 576027300 /nfs/dbraw/zinc/02/73/00/576027300.db2.gz OZSSCFDDSYEOSV-UHFFFAOYSA-N 0 0 345.410 3.093 20 10 EGCDRN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC000739724354 576501900 /nfs/dbraw/zinc/50/19/00/576501900.db2.gz YTWICBODUJLZFJ-UHFFFAOYSA-N 0 0 336.391 3.417 20 10 EGCDRN Cc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccn12 ZINC000740745442 576622757 /nfs/dbraw/zinc/62/27/57/576622757.db2.gz YHPMTGILACSIBK-UHFFFAOYSA-N 0 0 334.423 3.173 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2Cn2cccn2)cc1 ZINC000741139274 576659747 /nfs/dbraw/zinc/65/97/47/576659747.db2.gz KABWNPQAMWUCFC-UHFFFAOYSA-N 0 0 348.450 3.270 20 10 EGCDRN Cc1cc(C(=O)N(C)Cc2cccc(C)n2)c(C)n1-c1ccccn1 ZINC000741286508 576671995 /nfs/dbraw/zinc/67/19/95/576671995.db2.gz WCWDYRJNQCIWSC-UHFFFAOYSA-N 0 0 334.423 3.465 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(-c3cnn(C)c3)c2)cc1 ZINC000741666417 576709646 /nfs/dbraw/zinc/70/96/46/576709646.db2.gz XUVPVZCLUDVSJR-UHFFFAOYSA-N 0 0 348.450 3.425 20 10 EGCDRN Cc1cccc2c(O)c(C(=O)N(C)Cc3ccc(N(C)C)cc3)cnc12 ZINC000741741208 576715786 /nfs/dbraw/zinc/71/57/86/576715786.db2.gz PQLKGGDGFVCKNJ-UHFFFAOYSA-N 0 0 349.434 3.175 20 10 EGCDRN NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc(Cl)cn3)cc2)C1 ZINC000742429408 576783550 /nfs/dbraw/zinc/78/35/50/576783550.db2.gz AEUXUPYSQUYSDL-AWEZNQCLSA-N 0 0 344.846 3.049 20 10 EGCDRN COc1ccc(N2CCN(C(=O)[C@H](C)c3ccc(C)o3)CC2)cc1 ZINC000742471033 576786463 /nfs/dbraw/zinc/78/64/63/576786463.db2.gz LJBOFJUBHYOEGV-OAHLLOKOSA-N 0 0 328.412 3.049 20 10 EGCDRN CCCNC(=S)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743015497 576799809 /nfs/dbraw/zinc/79/98/09/576799809.db2.gz HYCAKNDDAQDHDY-LBPRGKRZSA-N 0 0 343.443 3.131 20 10 EGCDRN C[C@H](Cc1ccco1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743533671 576811306 /nfs/dbraw/zinc/81/13/06/576811306.db2.gz JWBYEBONHKCKTN-CYBMUJFWSA-N 0 0 328.412 3.294 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000743647941 576813971 /nfs/dbraw/zinc/81/39/71/576813971.db2.gz XNTWPVSGHHSRDM-KZNAEPCWSA-N 0 0 345.487 3.064 20 10 EGCDRN CS[C@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743683967 576814585 /nfs/dbraw/zinc/81/45/85/576814585.db2.gz PHHIVPIRMOCFRP-KGLIPLIRSA-N 0 0 334.485 3.354 20 10 EGCDRN Cc1cccn2cc(CC(=O)NCc3c(O)ccc4c3CCCC4)nc12 ZINC000743716610 576815162 /nfs/dbraw/zinc/81/51/62/576815162.db2.gz VESHIRLJTZSTIS-UHFFFAOYSA-N 0 0 349.434 3.086 20 10 EGCDRN O=C(Nc1nc2cc(Br)ccc2[nH]1)C1=CC(=O)CS1 ZINC000743773092 576815657 /nfs/dbraw/zinc/81/56/57/576815657.db2.gz DDRLHEPLNPHVKK-UHFFFAOYSA-N 0 0 338.186 3.345 20 10 EGCDRN CC(=O)NCCCOC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000745242835 576844160 /nfs/dbraw/zinc/84/41/60/576844160.db2.gz QSDDVRCAZBLWIB-UHFFFAOYSA-N 0 0 328.412 3.086 20 10 EGCDRN O=C([O-])CC[N@@H+](Cc1c(O)ccc2ccccc21)C1CCOCC1 ZINC000833233374 600719908 /nfs/dbraw/zinc/71/99/08/600719908.db2.gz UZPUWNWHUXJGMY-UHFFFAOYSA-N 0 0 329.396 3.001 20 10 EGCDRN CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000830756197 600821518 /nfs/dbraw/zinc/82/15/18/600821518.db2.gz VKQUCLQGVODRQN-VIHMKRCTSA-N 0 0 347.415 3.003 20 10 EGCDRN C[C@H](Oc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1)C(=O)[O-] ZINC000833537715 604514906 /nfs/dbraw/zinc/51/49/06/604514906.db2.gz NZWUZUVKGPWQSH-HNNXBMFYSA-N 0 0 342.439 3.237 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])c1O ZINC000833400658 605846827 /nfs/dbraw/zinc/84/68/27/605846827.db2.gz KFYHWUNCGJXIHV-CQSZACIVSA-N 0 0 325.792 3.077 20 10 EGCDRN COc1ccc(CNCc2ccn(C(C)C)n2)cc1Cn1cccn1 ZINC000873056535 1297250050 /nfs/dbraw/zinc/25/00/50/1297250050.db2.gz FYTUXSZJETZCHU-UHFFFAOYSA-N 0 0 339.443 3.007 20 10 EGCDRN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1cc(Br)ccc1O ZINC000700950676 1298183150 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ZINC000746194842 1298551175 /nfs/dbraw/zinc/55/11/75/1298551175.db2.gz VBTQQEWSNHFGAA-AWEZNQCLSA-N 0 0 330.403 3.484 20 10 EGCDRN CCc1ccc(NC(=O)CN2CCOc3cc(N(C)C)ccc32)cc1 ZINC000746492228 1298595683 /nfs/dbraw/zinc/59/56/83/1298595683.db2.gz GBJBDRZDLNYNQV-UHFFFAOYSA-N 0 0 339.439 3.153 20 10 EGCDRN CC1=C(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000747415901 1298778838 /nfs/dbraw/zinc/77/88/38/1298778838.db2.gz NIDOFEDGILHJRJ-UHFFFAOYSA-N 0 0 328.456 3.012 20 10 EGCDRN Cc1cccc(NC(=O)N2CCN(Cc3ccc(C)cc3O)CC2)c1 ZINC000876660381 1298906526 /nfs/dbraw/zinc/90/65/26/1298906526.db2.gz SBQDCXQOKOTVRE-UHFFFAOYSA-N 0 0 339.439 3.359 20 10 EGCDRN CN(C)c1ccc(CNS(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000748052193 1298919269 /nfs/dbraw/zinc/91/92/69/1298919269.db2.gz GGTKLUKAGWEFRO-UHFFFAOYSA-N 0 0 344.480 3.110 20 10 EGCDRN CCCS(=O)(=O)Nc1cccc(NCc2c(C)cccc2O)c1 ZINC000876862316 1299038937 /nfs/dbraw/zinc/03/89/37/1299038937.db2.gz MRHFTARLXDTLJJ-UHFFFAOYSA-N 0 0 334.441 3.464 20 10 EGCDRN Cc1cc(C(=O)Nc2ccn(CC(F)F)n2)c(C)n1-c1ccccn1 ZINC000748760390 1299075225 /nfs/dbraw/zinc/07/52/25/1299075225.db2.gz OAYVOSHWAJGZLX-UHFFFAOYSA-N 0 0 345.353 3.203 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]2c2ccccc2)cc1 ZINC000749115869 1299145421 /nfs/dbraw/zinc/14/54/21/1299145421.db2.gz UOBOOLMACLGZPX-FQEVSTJZSA-N 0 0 337.467 3.158 20 10 EGCDRN COc1ccc(C[C@H](C)C(=O)N(C)c2ccc(N)cc2)cc1OC ZINC000877075498 1299145951 /nfs/dbraw/zinc/14/59/51/1299145951.db2.gz DSEXBWALOYKCHX-ZDUSSCGKSA-N 0 0 328.412 3.128 20 10 EGCDRN COc1ccc(C(=O)N(C)c2ccc(N)cc2)c(OCC2CC2)c1 ZINC000877076867 1299147297 /nfs/dbraw/zinc/14/72/97/1299147297.db2.gz WBZZVGMSLNBAET-UHFFFAOYSA-N 0 0 326.396 3.343 20 10 EGCDRN CCOc1ccccc1OCCCC(=O)N(C)c1ccc(N)cc1 ZINC000877078816 1299148446 /nfs/dbraw/zinc/14/84/46/1299148446.db2.gz GIXMEILOQVIHIZ-UHFFFAOYSA-N 0 0 328.412 3.490 20 10 EGCDRN COc1ccc(N(CC(=O)Nc2ccc(O)cc2)C(C)C)cc1F ZINC000749151839 1299154874 /nfs/dbraw/zinc/15/48/74/1299154874.db2.gz WNHYMETWSJWVQX-UHFFFAOYSA-N 0 0 332.375 3.393 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC2CCOCC2)cc1 ZINC000749187344 1299160932 /nfs/dbraw/zinc/16/09/32/1299160932.db2.gz BNMRJJIQLAJIJB-UHFFFAOYSA-N 0 0 333.476 3.101 20 10 EGCDRN Cc1cc(C(=O)CSc2cn[nH]n2)c(C)n1-c1ccc(C)cc1 ZINC000749678118 1299253408 /nfs/dbraw/zinc/25/34/08/1299253408.db2.gz GPMMHNFJYZOZCG-UHFFFAOYSA-N 0 0 326.425 3.496 20 10 EGCDRN COc1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)c(OC)c1 ZINC000750818935 1299458246 /nfs/dbraw/zinc/45/82/46/1299458246.db2.gz CUTRSNBBSYRWDN-UHFFFAOYSA-N 0 0 347.386 3.383 20 10 EGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CSCCS1 ZINC000751001240 1299494719 /nfs/dbraw/zinc/49/47/19/1299494719.db2.gz UWVKEYCUSOGQOS-MRXNPFEDSA-N 0 0 336.526 3.142 20 10 EGCDRN CC(C)(O)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000877797220 1299562434 /nfs/dbraw/zinc/56/24/34/1299562434.db2.gz QSCIFHNKZAKBGO-GFCCVEGCSA-N 0 0 328.250 3.138 20 10 EGCDRN C[C@H](NC(=O)N1CC[C@@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000752008449 1299678363 /nfs/dbraw/zinc/67/83/63/1299678363.db2.gz WFTZYNQGXXLXJZ-OWCLPIDISA-N 0 0 331.460 3.024 20 10 EGCDRN CCOc1ccc(NC(=O)CN(C)c2ccc(OC)cc2OC)cc1 ZINC000752111044 1299698952 /nfs/dbraw/zinc/69/89/52/1299698952.db2.gz LJBKWGFARUSELS-UHFFFAOYSA-N 0 0 344.411 3.177 20 10 EGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(Cl)cc2)c(OC)c1 ZINC000752111094 1299699051 /nfs/dbraw/zinc/69/90/51/1299699051.db2.gz LIOXXPZUYXVFKQ-UHFFFAOYSA-N 0 0 334.803 3.432 20 10 EGCDRN C[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1O ZINC000878020272 1299710502 /nfs/dbraw/zinc/71/05/02/1299710502.db2.gz MPAHZGCNUDFSKQ-CYBMUJFWSA-N 0 0 339.395 3.402 20 10 EGCDRN CC1CCN(c2ccc(CNc3ncnc4nccnc43)cc2)CC1 ZINC000752636312 1299772251 /nfs/dbraw/zinc/77/22/51/1299772251.db2.gz SYWLKNLVSAELEH-UHFFFAOYSA-N 0 0 334.427 3.268 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(C)CC1 ZINC000753026327 1299850423 /nfs/dbraw/zinc/85/04/23/1299850423.db2.gz USTXBTVHXFSQHB-UHFFFAOYSA-N 0 0 341.249 3.486 20 10 EGCDRN Oc1ccccc1CN(Cc1nc(C2CCC2)no1)C[C@@H]1CCCO1 ZINC000878241603 1299854840 /nfs/dbraw/zinc/85/48/40/1299854840.db2.gz XLFJUIFHJQELOY-INIZCTEOSA-N 0 0 343.427 3.224 20 10 EGCDRN COC(=O)COc1ccc(N(C)C[C@H]2CCOc3ccccc32)cc1 ZINC000753590704 1299983186 /nfs/dbraw/zinc/98/31/86/1299983186.db2.gz BCNAGTUQSAFTIR-OAHLLOKOSA-N 0 0 341.407 3.241 20 10 EGCDRN COC(=O)COc1ccc(N(C)Cc2nccc3ccccc32)cc1 ZINC000753592192 1299983777 /nfs/dbraw/zinc/98/37/77/1299983777.db2.gz SASXIPYKMNCMNF-UHFFFAOYSA-N 0 0 336.391 3.423 20 10 EGCDRN COc1ccc(N2CCN(C(=O)C=C(C3CC3)C3CC3)CC2)cc1F ZINC000753742614 1300013279 /nfs/dbraw/zinc/01/32/79/1300013279.db2.gz SOJNIAHPGYDFQP-UHFFFAOYSA-N 0 0 344.430 3.229 20 10 EGCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1F ZINC000753799767 1300022251 /nfs/dbraw/zinc/02/22/51/1300022251.db2.gz SMNILJSKBROFBD-YOEHRIQHSA-N 0 0 349.450 3.245 20 10 EGCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CC[C@H](C)CC3)CC2)cc1F ZINC000753930485 1300043726 /nfs/dbraw/zinc/04/37/26/1300043726.db2.gz HALMIXLWCMAIGE-SHTZXODSSA-N 0 0 349.450 3.245 20 10 EGCDRN CC(C)Oc1ncccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418363 1300487215 /nfs/dbraw/zinc/48/72/15/1300487215.db2.gz AUJUZKACHIFMQN-GFCCVEGCSA-N 0 0 331.372 3.333 20 10 EGCDRN C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756453398 1300494516 /nfs/dbraw/zinc/49/45/16/1300494516.db2.gz GMDZOWMZVSJMIT-GUYCJALGSA-N 0 0 330.403 3.402 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)N2CCC[C@@H](C)C2)c1 ZINC000756448586 1300495150 /nfs/dbraw/zinc/49/51/50/1300495150.db2.gz CLMUXXKNVYCPCN-HUUCEWRRSA-N 0 0 348.487 3.340 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCOc2cccc(C)c2)c1 ZINC000756454560 1300495165 /nfs/dbraw/zinc/49/51/65/1300495165.db2.gz GDZGPYPAIJZVNN-AWEZNQCLSA-N 0 0 329.396 3.217 20 10 EGCDRN COc1ccc(OCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756454277 1300495222 /nfs/dbraw/zinc/49/52/22/1300495222.db2.gz KYIQEEHDOQCPBT-CYBMUJFWSA-N 0 0 346.383 3.429 20 10 EGCDRN Cc1ccn2cc(C[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])nc2c1 ZINC000756531852 1300515725 /nfs/dbraw/zinc/51/57/25/1300515725.db2.gz AFRVNPQOHPZPEE-GFCCVEGCSA-N 0 0 326.356 3.107 20 10 EGCDRN COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756531816 1300516301 /nfs/dbraw/zinc/51/63/01/1300516301.db2.gz AZJDKYJROGLWKD-GFCCVEGCSA-N 0 0 331.372 3.172 20 10 EGCDRN COc1ccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000756539756 1300517130 /nfs/dbraw/zinc/51/71/30/1300517130.db2.gz UPBIRKDQKKWJPA-LLVKDONJSA-N 0 0 334.347 3.341 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756543681 1300518173 /nfs/dbraw/zinc/51/81/73/1300518173.db2.gz HHHDKHCVSOMJCL-ZJUUUORDSA-N 0 0 343.240 3.181 20 10 EGCDRN C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756543604 1300519008 /nfs/dbraw/zinc/51/90/08/1300519008.db2.gz DXVDJHUFUIMGQD-QWRGUYRKSA-N 0 0 333.259 3.070 20 10 EGCDRN CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756573430 1300524190 /nfs/dbraw/zinc/52/41/90/1300524190.db2.gz AZWAMWLTNZAMIM-OTYXRUKQSA-N 0 0 334.229 3.496 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])[C@@H]1CCOC1 ZINC000756609285 1300530226 /nfs/dbraw/zinc/53/02/26/1300530226.db2.gz FUTPQZURBSDLAP-KXUCPTDWSA-N 0 0 332.213 3.369 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(F)cc(F)c1[O-] ZINC000756645223 1300540461 /nfs/dbraw/zinc/54/04/61/1300540461.db2.gz IKYZEQXBDQQQFR-JQWIXIFHSA-N 0 0 337.345 3.134 20 10 EGCDRN C[C@H](NC(=O)CN(C)c1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000756654147 1300542607 /nfs/dbraw/zinc/54/26/07/1300542607.db2.gz IGQLWTBQWLVQFG-LBPRGKRZSA-N 0 0 346.814 3.382 20 10 EGCDRN Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[n-]2)c(O)c1 ZINC000756742364 1300558825 /nfs/dbraw/zinc/55/88/25/1300558825.db2.gz LABHLPNPUWMJGU-LBPRGKRZSA-N 0 0 326.375 3.476 20 10 EGCDRN C[C@@H]([NH2+]CCC[C@H](C)CO)c1cc(Br)cc(F)c1[O-] ZINC000756784556 1300565387 /nfs/dbraw/zinc/56/53/87/1300565387.db2.gz NVFUVYBSAVWCOR-VHSXEESVSA-N 0 0 334.229 3.353 20 10 EGCDRN C[C@@H](Nc1ccc(N(C)CCO)cn1)c1cc2c(cc1O)CCCC2 ZINC000756843770 1300575555 /nfs/dbraw/zinc/57/55/55/1300575555.db2.gz GBMYZDCWQMNMPV-CQSZACIVSA-N 0 0 341.455 3.268 20 10 EGCDRN C[C@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000879538837 1300587241 /nfs/dbraw/zinc/58/72/41/1300587241.db2.gz KIWAVOLFDJYDSP-VBHSOAQHSA-N 0 0 326.444 3.019 20 10 EGCDRN C[C@@H](NC(=O)Nc1nnc(C2CCOCC2)s1)c1ccccc1O ZINC000879674206 1300670092 /nfs/dbraw/zinc/67/00/92/1300670092.db2.gz BJSFUKRFYXJEKR-SNVBAGLBSA-N 0 0 348.428 3.020 20 10 EGCDRN C[C@H]1C[C@H](Nc2ccc3c(c2)C(=O)NCC3)c2c1c(F)ccc2O ZINC000757610842 1300694357 /nfs/dbraw/zinc/69/43/57/1300694357.db2.gz IKNOWVOAZSJKGQ-BONVTDFDSA-N 0 0 326.371 3.478 20 10 EGCDRN CCc1c(NC(=O)c2ccc(C)c(O)c2O)cnn1CCC(C)C ZINC000757627278 1300696859 /nfs/dbraw/zinc/69/68/59/1300696859.db2.gz YMBHZSHTQGOPHI-UHFFFAOYSA-N 0 0 331.416 3.464 20 10 EGCDRN COc1ccc(N(C)C[C@@H](O)COc2ccc(C)cc2C)cc1F ZINC000757851655 1300747107 /nfs/dbraw/zinc/74/71/07/1300747107.db2.gz OOZQYYJFEKAFNY-MRXNPFEDSA-N 0 0 333.403 3.327 20 10 EGCDRN Cc1cc(C(=O)OCC[C@@H]2COC(C)(C)O2)c(C)n1-c1ccccn1 ZINC000759479621 1301100992 /nfs/dbraw/zinc/10/09/92/1301100992.db2.gz PAZVIOJREJEYFW-OAHLLOKOSA-N 0 0 344.411 3.188 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cc(-c2ccco2)on1 ZINC000759587730 1301123520 /nfs/dbraw/zinc/12/35/20/1301123520.db2.gz DPUYZGZSYRLRRQ-XQRVVYSFSA-N 0 0 327.292 3.102 20 10 EGCDRN CC(C)Oc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccn1 ZINC000759713432 1301146864 /nfs/dbraw/zinc/14/68/64/1301146864.db2.gz HIOHNEUCFLJNMP-UHFFFAOYSA-N 0 0 339.439 3.399 20 10 EGCDRN CC(C)Oc1ccc(N(C)CC(=O)NCCc2ccc(F)cc2)cc1 ZINC000759934975 1301193329 /nfs/dbraw/zinc/19/33/29/1301193329.db2.gz ZDDSRWUVIARURH-UHFFFAOYSA-N 0 0 344.430 3.408 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](C)[S@](=O)CC2)cc1 ZINC000760641973 1301312622 /nfs/dbraw/zinc/31/26/22/1301312622.db2.gz IHXIWQASIXXJJH-UPCLLVRISA-N 0 0 344.480 3.077 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCC[C@H]1CCCCO1 ZINC000760708178 1301324930 /nfs/dbraw/zinc/32/49/30/1301324930.db2.gz MBUQRXUFFXZOBO-GOSISDBHSA-N 0 0 333.476 3.210 20 10 EGCDRN C[C@H]1CCCC[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000760928553 1301364273 /nfs/dbraw/zinc/36/42/73/1301364273.db2.gz RMSUQHNYEUNOPJ-SMDDNHRTSA-N 0 0 336.819 3.389 20 10 EGCDRN CCCN1C(=O)N(Cc2ccc(N3CC=CC3)cc2)C(=O)[C@@H]1CC ZINC000761362185 1301449899 /nfs/dbraw/zinc/44/98/99/1301449899.db2.gz NZDLXTJKPJWIKP-KRWDZBQOSA-N 0 0 327.428 3.016 20 10 EGCDRN CCc1c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cnn1C(C)(C)C ZINC000761975201 1301580466 /nfs/dbraw/zinc/58/04/66/1301580466.db2.gz ZULIYKIABLTCLK-LBPRGKRZSA-N 0 0 345.443 3.406 20 10 EGCDRN C[C@@H]1C[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCC1=O ZINC000762432974 1301677336 /nfs/dbraw/zinc/67/73/36/1301677336.db2.gz WUSJXNYDMPIFRH-KGLIPLIRSA-N 0 0 348.406 3.340 20 10 EGCDRN Cc1cc(C(=O)NCC2(CO)CCCCC2)c(C)n1-c1ccccn1 ZINC000762769135 1301745121 /nfs/dbraw/zinc/74/51/21/1301745121.db2.gz PVPOEIIDHCJMFW-UHFFFAOYSA-N 0 0 341.455 3.162 20 10 EGCDRN CCOC(=O)c1cccnc1NCc1ccc(N2CCCC2)cc1 ZINC000762791585 1301749648 /nfs/dbraw/zinc/74/96/48/1301749648.db2.gz YRNHOLSTXDIFKB-UHFFFAOYSA-N 0 0 325.412 3.471 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000763573455 1301926872 /nfs/dbraw/zinc/92/68/72/1301926872.db2.gz XPXVIQAFETWMPU-AEFFLSMTSA-N 0 0 347.503 3.454 20 10 EGCDRN CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882889524 1302150817 /nfs/dbraw/zinc/15/08/17/1302150817.db2.gz BPBCZLYVNPIIJG-UHFFFAOYSA-N 0 0 348.393 3.490 20 10 EGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(N2CCOCC2)cc1 ZINC000882924133 1302170617 /nfs/dbraw/zinc/17/06/17/1302170617.db2.gz WGOGSQOLJOFBEC-CYBMUJFWSA-N 0 0 348.393 3.358 20 10 EGCDRN CC[C@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccc(N(C)C)cc1 ZINC000764990163 1302182287 /nfs/dbraw/zinc/18/22/87/1302182287.db2.gz VACMFVAQMVZLOU-IBGZPJMESA-N 0 0 343.471 3.414 20 10 EGCDRN COc1ccnc(CNC(=O)c2sccc2-n2c(C)ccc2C)c1 ZINC000765107824 1302203393 /nfs/dbraw/zinc/20/33/93/1302203393.db2.gz IVJFFUKDJCYJTA-UHFFFAOYSA-N 0 0 341.436 3.489 20 10 EGCDRN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883041500 1302218711 /nfs/dbraw/zinc/21/87/11/1302218711.db2.gz OMGFEEIAZSEUNB-NXEZZACHSA-N 0 0 332.213 3.199 20 10 EGCDRN Cc1cc(C[C@H](C)[NH2+]Cc2cc(Br)cc(F)c2[O-])[nH]n1 ZINC000883049540 1302222549 /nfs/dbraw/zinc/22/25/49/1302222549.db2.gz OZGACSBUZGETHP-QMMMGPOBSA-N 0 0 342.212 3.046 20 10 EGCDRN CCOc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000765315141 1302245607 /nfs/dbraw/zinc/24/56/07/1302245607.db2.gz CLWHKUGHPPJXLC-UHFFFAOYSA-N 0 0 332.379 3.007 20 10 EGCDRN CCc1cc(NCc2cc(Br)cc(F)c2O)nn1C ZINC000883147355 1302271336 /nfs/dbraw/zinc/27/13/36/1302271336.db2.gz SFWHKFAUSONAGJ-UHFFFAOYSA-N 0 0 328.185 3.202 20 10 EGCDRN CCOc1ccc(CN2CCOc3cc(N(C)C)ccc32)c(O)c1 ZINC000765658384 1302297322 /nfs/dbraw/zinc/29/73/22/1302297322.db2.gz QMNKSPQQNLUGGF-UHFFFAOYSA-N 0 0 328.412 3.256 20 10 EGCDRN Cc1ccc(C(=O)NCc2cccc(Br)c2O)s1 ZINC000765750211 1302318979 /nfs/dbraw/zinc/31/89/79/1302318979.db2.gz BVMNJNHYIBDVBT-UHFFFAOYSA-N 0 0 326.215 3.455 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@H](C)[C@H]3C)c2C)cc1 ZINC000765980132 1302363100 /nfs/dbraw/zinc/36/31/00/1302363100.db2.gz PPJKYGHADSAMKH-GDBMZVCRSA-N 0 0 342.439 3.352 20 10 EGCDRN Oc1c(Br)cccc1CNc1ncnc2ccncc21 ZINC000765984128 1302363184 /nfs/dbraw/zinc/36/31/84/1302363184.db2.gz ZDNOGKXZHKGCPP-UHFFFAOYSA-N 0 0 331.173 3.105 20 10 EGCDRN COc1cc(Br)cc(NC(=O)C2=CC(=O)CS2)c1 ZINC000766253362 1302415945 /nfs/dbraw/zinc/41/59/45/1302415945.db2.gz VQCXITSBGFFSJH-UHFFFAOYSA-N 0 0 328.187 3.477 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)OC[C@@H]3CCCOC3)ccc21 ZINC000766306522 1302427455 /nfs/dbraw/zinc/42/74/55/1302427455.db2.gz ZVBWUMZIBWJGLM-MRXNPFEDSA-N 0 0 345.439 3.488 20 10 EGCDRN COc1ccc2c(c1)CCCN2Cn1c(=O)sc2c1CCCC2 ZINC000766341808 1302434496 /nfs/dbraw/zinc/43/44/96/1302434496.db2.gz QOCHGNFQOAXYFN-UHFFFAOYSA-N 0 0 330.453 3.208 20 10 EGCDRN COc1ccc(CNC(=S)Nc2ccc(OC(F)F)cc2)nc1 ZINC000766512300 1302465375 /nfs/dbraw/zinc/46/53/75/1302465375.db2.gz IVFZGGRPCKBUKP-UHFFFAOYSA-N 0 0 339.367 3.178 20 10 EGCDRN CC(C)c1nnc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000766552957 1302475314 /nfs/dbraw/zinc/47/53/14/1302475314.db2.gz MOLBEPXMNCDXMM-CQSZACIVSA-N 0 0 346.500 3.349 20 10 EGCDRN C[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000766627014 1302491932 /nfs/dbraw/zinc/49/19/32/1302491932.db2.gz GPBZEZHAWVJEFN-LBPRGKRZSA-N 0 0 327.350 3.203 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)c3cc(C)c(C)o3)CC2)cc1 ZINC000767891247 1302779999 /nfs/dbraw/zinc/77/99/99/1302779999.db2.gz MHYJUTPSUPRDTN-UHFFFAOYSA-N 0 0 328.412 3.258 20 10 EGCDRN Cc1cc(F)c2c(c1)CCCN2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440712 1302905319 /nfs/dbraw/zinc/90/53/19/1302905319.db2.gz ULIQLEFFNOEHSV-KRWDZBQOSA-N 0 0 329.371 3.218 20 10 EGCDRN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1(CC)CC ZINC000768463460 1302911138 /nfs/dbraw/zinc/91/11/38/1302911138.db2.gz JGSJPLJOAXIQBE-YTQUADARSA-N 0 0 349.471 3.234 20 10 EGCDRN Cc1ccc(F)c2c1N(Cc1cc3c(cc1O)OC[C@H]3O)CCC2 ZINC000768464584 1302911690 /nfs/dbraw/zinc/91/16/90/1302911690.db2.gz CHLGBUGSISBPIO-QGZVFWFLSA-N 0 0 329.371 3.218 20 10 EGCDRN C[C@@H](NC(=O)N[C@H]1CCC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000768714229 1302964118 /nfs/dbraw/zinc/96/41/18/1302964118.db2.gz YJGGZYCATXSZCU-WBVHZDCISA-N 0 0 345.487 3.462 20 10 EGCDRN Cc1cc(C(=O)N2C[C@@H](C)[C@H](O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000768823714 1302987507 /nfs/dbraw/zinc/98/75/07/1302987507.db2.gz ASZKNLITPNTALY-AUUYWEPGSA-N 0 0 326.440 3.164 20 10 EGCDRN Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3c(F)cccc3F)C1)[C@@H](O)CO2 ZINC000768909109 1303010888 /nfs/dbraw/zinc/01/08/88/1303010888.db2.gz GXIRWFOZFLOKKH-GTNSWQLSSA-N 0 0 347.361 3.086 20 10 EGCDRN CC(=O)Nc1cccc2c1CCN(Cc1ccc(N(C)C)c(F)c1)C2 ZINC000768985014 1303026356 /nfs/dbraw/zinc/02/63/56/1303026356.db2.gz NJMNNGQBHXCXQO-UHFFFAOYSA-N 0 0 341.430 3.408 20 10 EGCDRN Cc1cc(C(=O)N2C[C@H](C)[C@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000769127313 1303053574 /nfs/dbraw/zinc/05/35/74/1303053574.db2.gz KCCORLIJRDLDED-APPDUMDISA-N 0 0 332.831 3.200 20 10 EGCDRN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(Br)ccc1O ZINC000769503851 1303129594 /nfs/dbraw/zinc/12/95/94/1303129594.db2.gz OYHHWYLQAKNESA-JTQLQIEISA-N 0 0 344.249 3.317 20 10 EGCDRN COc1ccc(-n2c(C)cc(CN(C)Cc3ccnn3C)c2C)cc1 ZINC000769523473 1303134442 /nfs/dbraw/zinc/13/44/42/1303134442.db2.gz AIBYNVOHHKKUEW-UHFFFAOYSA-N 0 0 338.455 3.468 20 10 EGCDRN COc1ccc(SCCC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000769540801 1303138430 /nfs/dbraw/zinc/13/84/30/1303138430.db2.gz RSWDOSSNGOXONH-UHFFFAOYSA-N 0 0 347.436 3.208 20 10 EGCDRN Cc1cc(C(=O)O[C@H]2CCNC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000769968244 1303199578 /nfs/dbraw/zinc/19/95/78/1303199578.db2.gz SIPDGXDAHJRNQD-SFHVURJKSA-N 0 0 340.423 3.263 20 10 EGCDRN Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c(O)c1O ZINC000770506417 1303278713 /nfs/dbraw/zinc/27/87/13/1303278713.db2.gz RIGHVWDELGMFFE-ZDUSSCGKSA-N 0 0 346.814 3.068 20 10 EGCDRN CC[C@H](CNC(=O)c1ccc(C)c(O)c1O)Oc1cccc(F)c1 ZINC000770503443 1303278721 /nfs/dbraw/zinc/27/87/21/1303278721.db2.gz AFBQZGPLRKPLFO-CYBMUJFWSA-N 0 0 333.359 3.133 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cccc(=O)[nH]1 ZINC000771500424 1303413115 /nfs/dbraw/zinc/41/31/15/1303413115.db2.gz SIKNLAPDQVTBIE-UHFFFAOYSA-N 0 0 335.407 3.433 20 10 EGCDRN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000771874666 1303452679 /nfs/dbraw/zinc/45/26/79/1303452679.db2.gz CYBUTXQEARQIKM-XIKOKIGWSA-N 0 0 346.383 3.175 20 10 EGCDRN COC(=O)[C@@H](OC(=O)c1sccc1-n1c(C)ccc1C)C1CC1 ZINC000772039009 1303478891 /nfs/dbraw/zinc/47/88/91/1303478891.db2.gz ZLEKOHYACOWISF-AWEZNQCLSA-N 0 0 333.409 3.264 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1c([O-])cccc1F ZINC000886547636 1303495689 /nfs/dbraw/zinc/49/56/89/1303495689.db2.gz PBIRBFJOPLHAHB-BXUZGUMPSA-N 0 0 332.350 3.127 20 10 EGCDRN Cc1cc(C(=O)NC[C@@H](O)c2cccnc2)c(C)n1-c1cccc(C)c1 ZINC000772500853 1303539948 /nfs/dbraw/zinc/53/99/48/1303539948.db2.gz HOOHWYUXZWGSSX-HXUWFJFHSA-N 0 0 349.434 3.261 20 10 EGCDRN O=C(C=Cc1ccc(O)c(O)c1)OCC(=O)c1cccc(Cl)c1 ZINC000772767495 1303574080 /nfs/dbraw/zinc/57/40/80/1303574080.db2.gz CSAVKELUGAGUAG-ALCCZGGFSA-N 0 0 332.739 3.191 20 10 EGCDRN C[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(Br)cc1O ZINC000886801837 1303603300 /nfs/dbraw/zinc/60/33/00/1303603300.db2.gz TXPJTXQPZHYIQP-CPCISQLKSA-N 0 0 342.155 3.119 20 10 EGCDRN C[C@H](NC(=O)CSC[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773002354 1303604929 /nfs/dbraw/zinc/60/49/29/1303604929.db2.gz ZOTQTXGRNRGUNZ-WMLDXEAASA-N 0 0 336.501 3.232 20 10 EGCDRN C[C@H](NC(=O)COCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773006883 1303605698 /nfs/dbraw/zinc/60/56/98/1303605698.db2.gz GDNRNMGNCORMOG-INIZCTEOSA-N 0 0 326.440 3.189 20 10 EGCDRN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000773020397 1303610051 /nfs/dbraw/zinc/61/00/51/1303610051.db2.gz TYSSIOPGOBZSSS-ZDUSSCGKSA-N 0 0 327.384 3.081 20 10 EGCDRN COCCOc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773022614 1303610271 /nfs/dbraw/zinc/61/02/71/1303610271.db2.gz VYHCGFXUVWMEHJ-OAHLLOKOSA-N 0 0 342.439 3.269 20 10 EGCDRN Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1F ZINC000773086599 1303622243 /nfs/dbraw/zinc/62/22/43/1303622243.db2.gz DYPCXNXYVXFMQD-ZDUSSCGKSA-N 0 0 336.432 3.240 20 10 EGCDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000773086643 1303622937 /nfs/dbraw/zinc/62/29/37/1303622937.db2.gz FHXUZITXVSHCCF-HNNXBMFYSA-N 0 0 332.469 3.409 20 10 EGCDRN COc1cccc(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773196258 1303640783 /nfs/dbraw/zinc/64/07/83/1303640783.db2.gz OEFPVQGTOPAFEV-HNNXBMFYSA-N 0 0 341.455 3.364 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000773324180 1303662887 /nfs/dbraw/zinc/66/28/87/1303662887.db2.gz ACVXNPQJBHZIHS-ROUUACIJSA-N 0 0 345.487 3.101 20 10 EGCDRN COc1cc(F)cc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773432350 1303680330 /nfs/dbraw/zinc/68/03/30/1303680330.db2.gz VDTBXVKGJSUVMV-CYBMUJFWSA-N 0 0 345.418 3.461 20 10 EGCDRN C[C@@H](NC(=O)N1CCOc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773621325 1303715852 /nfs/dbraw/zinc/71/58/52/1303715852.db2.gz XJJDIGGNIDTHNC-OAHLLOKOSA-N 0 0 339.439 3.418 20 10 EGCDRN Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1-c1ccccc1 ZINC000773991452 1303761879 /nfs/dbraw/zinc/76/18/79/1303761879.db2.gz YGMQFPODYUQJKS-CQSZACIVSA-N 0 0 349.438 3.133 20 10 EGCDRN C[C@@H](NC(=O)c1ccc(Br)nc1)c1ccc(N(C)C)cc1 ZINC000773996209 1303763090 /nfs/dbraw/zinc/76/30/90/1303763090.db2.gz YIWGHWHYBNEAFV-LLVKDONJSA-N 0 0 348.244 3.401 20 10 EGCDRN C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774217142 1303787786 /nfs/dbraw/zinc/78/77/86/1303787786.db2.gz KVDQDQAVKRZNNU-QMMMGPOBSA-N 0 0 340.210 3.044 20 10 EGCDRN CCOC(=O)c1cc(NCc2cccc(OC)c2O)ccc1[N+](=O)[O-] ZINC000774524694 1303820804 /nfs/dbraw/zinc/82/08/04/1303820804.db2.gz VNMGNUGWFOVUEG-UHFFFAOYSA-N 0 0 346.339 3.098 20 10 EGCDRN CC(C)CCC[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000774539946 1303824086 /nfs/dbraw/zinc/82/40/86/1303824086.db2.gz GPVHWITVPXEEQZ-INIZCTEOSA-N 0 0 347.503 3.042 20 10 EGCDRN CC(C)CCC[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774538356 1303824447 /nfs/dbraw/zinc/82/44/47/1303824447.db2.gz AMOWCRPOOUVXQM-CVEARBPZSA-N 0 0 347.503 3.261 20 10 EGCDRN CC(C)N(C(=O)CN1CCOc2cc(N(C)C)ccc21)C1CCCC1 ZINC000774749001 1303854282 /nfs/dbraw/zinc/85/42/82/1303854282.db2.gz CCDVGMSOUGHRDF-UHFFFAOYSA-N 0 0 345.487 3.131 20 10 EGCDRN CCC[C@]1(CO)CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774976836 1303884621 /nfs/dbraw/zinc/88/46/21/1303884621.db2.gz UPOOYZYXKVYWEN-DNVCBOLYSA-N 0 0 333.476 3.150 20 10 EGCDRN COc1c([O-])c(C[NH2+]C2CCC(OC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000775031074 1303891984 /nfs/dbraw/zinc/89/19/84/1303891984.db2.gz AJZJHIVFXNYLEA-UHFFFAOYSA-N 0 0 338.404 3.135 20 10 EGCDRN CO[C@@H]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000775245962 1303930035 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SOPOOMHELABUEE-ZDUSSCGKSA-N 0 0 338.423 3.363 20 10 EGCDRN O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138130811 1377682211 /nfs/dbraw/zinc/68/22/11/1377682211.db2.gz IIWIFJWODMXYCQ-MRXNPFEDSA-N 0 0 340.398 3.152 20 10 EGCDRN CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cccc(F)c1[O-] ZINC001138129760 1377683088 /nfs/dbraw/zinc/68/30/88/1377683088.db2.gz VEIZTBWBUJKBOL-UHFFFAOYSA-N 0 0 326.412 3.220 20 10 EGCDRN Oc1ccc(Br)c(CN2CCc3cccc(O)c3C2)c1 ZINC001138149097 1377685457 /nfs/dbraw/zinc/68/54/57/1377685457.db2.gz WZHAJMKWBJUXEW-UHFFFAOYSA-N 0 0 334.213 3.419 20 10 EGCDRN Oc1c(CN2Cc3ncsc3C2)cc2c3c1CCCN3CCC2 ZINC001138342558 1377706688 /nfs/dbraw/zinc/70/66/88/1377706688.db2.gz SVXXRJVZVAMMJO-UHFFFAOYSA-N 0 0 327.453 3.063 20 10 EGCDRN Cc1nc([C@H]2CCCCN2Cc2ccc3c(c2)CCCN3C)no1 ZINC001138358383 1377708236 /nfs/dbraw/zinc/70/82/36/1377708236.db2.gz QEDRYBOGFVXVGP-GOSISDBHSA-N 0 0 326.444 3.488 20 10 EGCDRN COc1c(F)cc(CN2CCCc3cc(O)c(O)cc3C2)cc1F ZINC001138424755 1377722177 /nfs/dbraw/zinc/72/21/77/1377722177.db2.gz DNKPSPXOUNVWCC-UHFFFAOYSA-N 0 0 335.350 3.333 20 10 EGCDRN CCCn1ncc(CN2CCN(c3ccc(OC)cc3C)CC2)c1C ZINC001138642442 1377760953 /nfs/dbraw/zinc/76/09/53/1377760953.db2.gz YTZUZPLIYLOKGT-UHFFFAOYSA-N 0 0 342.487 3.241 20 10 EGCDRN COc1ccc(N2CCN(Cc3cc(F)cnc3Cl)CC2)cc1 ZINC001138889047 1377799942 /nfs/dbraw/zinc/79/99/42/1377799942.db2.gz VSZSSVJLXNEQKO-UHFFFAOYSA-N 0 0 335.810 3.205 20 10 EGCDRN CCOCC1CC[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139130922 1377835243 /nfs/dbraw/zinc/83/52/43/1377835243.db2.gz JRUFQAHCZBDWJX-UHFFFAOYSA-N 0 0 331.412 3.056 20 10 EGCDRN COC(=O)[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])[C@H]1c1ccccc1 ZINC001139681469 1377932853 /nfs/dbraw/zinc/93/28/53/1377932853.db2.gz RLVRAOHMCZTTGY-DYVFJYSZSA-N 0 0 347.361 3.407 20 10 EGCDRN O=C1OC2(CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)c2ccccc21 ZINC001139682726 1377933771 /nfs/dbraw/zinc/93/37/71/1377933771.db2.gz BIPQFFKAVLPWSB-UHFFFAOYSA-N 0 0 345.345 3.332 20 10 EGCDRN CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685857 1377933894 /nfs/dbraw/zinc/93/38/94/1377933894.db2.gz ZBPSIWSKKATXHC-SNVBAGLBSA-N 0 0 329.343 3.196 20 10 EGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001139686093 1377934429 /nfs/dbraw/zinc/93/44/29/1377934429.db2.gz NCZDLSSAHVCLRZ-SFHVURJKSA-N 0 0 330.378 3.085 20 10 EGCDRN CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2O)O1 ZINC001140054410 1377996936 /nfs/dbraw/zinc/99/69/36/1377996936.db2.gz PRNXGSZSUAPGKQ-ZHALLVOQSA-N 0 0 337.435 3.326 20 10 EGCDRN Oc1cccc(Br)c1CN1CCOC[C@H]1c1cccnc1 ZINC001140103255 1378008755 /nfs/dbraw/zinc/00/87/55/1378008755.db2.gz GGWCFVVKJWLYRB-HNNXBMFYSA-N 0 0 349.228 3.123 20 10 EGCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001140338107 1378048369 /nfs/dbraw/zinc/04/83/69/1378048369.db2.gz VLBPXEYPLAYBDB-QWHCGFSZSA-N 0 0 341.732 3.273 20 10 EGCDRN COc1ccc(CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C)O)cc1 ZINC001140338016 1378048495 /nfs/dbraw/zinc/04/84/95/1378048495.db2.gz QZMWCOSNISYPPF-AWEZNQCLSA-N 0 0 349.858 3.480 20 10 EGCDRN Oc1cccc(Cl)c1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001140341511 1378049392 /nfs/dbraw/zinc/04/93/92/1378049392.db2.gz SDEBLTSEJKEOTQ-UHFFFAOYSA-N 0 0 338.238 3.416 20 10 EGCDRN CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1O ZINC001140463000 1378067492 /nfs/dbraw/zinc/06/74/92/1378067492.db2.gz RMUPKUHRNNSOKD-OKILXGFUSA-N 0 0 338.835 3.239 20 10 EGCDRN [O-]c1cc(F)cc(F)c1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001140583531 1378090519 /nfs/dbraw/zinc/09/05/19/1378090519.db2.gz KBRPNTKUXOWREF-KXBFYZLASA-N 0 0 344.405 3.377 20 10 EGCDRN CC[C@H](C)N1CCC2(CC[NH+](Cc3c([O-])cccc3F)CC2)C1=O ZINC001273265753 1378093153 /nfs/dbraw/zinc/09/31/53/1378093153.db2.gz JPMJETSBUWDOBP-AWEZNQCLSA-N 0 0 334.435 3.144 20 10 EGCDRN Cc1ccc(O)c(CN2CCN(c3ccc(Cl)cc3)C(=O)C2)c1 ZINC001140623816 1378100357 /nfs/dbraw/zinc/10/03/57/1378100357.db2.gz SSDJIGGVWPBMSX-UHFFFAOYSA-N 0 0 330.815 3.203 20 10 EGCDRN CCN(CC(=O)OC(C)(C)C)Cc1ccc(N(CC)CC)cc1O ZINC001140855985 1378159800 /nfs/dbraw/zinc/15/98/00/1378159800.db2.gz OAHIEHHFBXETCF-UHFFFAOYSA-N 0 0 336.476 3.402 20 10 EGCDRN CC(C)CC(=O)N1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140924678 1378182214 /nfs/dbraw/zinc/18/22/14/1378182214.db2.gz LVDJQPUPWTUMPE-UHFFFAOYSA-N 0 0 337.895 3.096 20 10 EGCDRN COc1cc(O)c(C[N@H+](C)CCc2ccccc2OC)c(OC)c1 ZINC001141028578 1378211880 /nfs/dbraw/zinc/21/18/80/1378211880.db2.gz VNNGKODUFKWFCL-UHFFFAOYSA-N 0 0 331.412 3.093 20 10 EGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CCn1cccn1 ZINC001141857065 1378386830 /nfs/dbraw/zinc/38/68/30/1378386830.db2.gz DNVAWMLODYYZLY-GOSISDBHSA-N 0 0 327.428 3.035 20 10 EGCDRN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cc(F)c(F)cc1O ZINC001142530342 1378454104 /nfs/dbraw/zinc/45/41/04/1378454104.db2.gz FCFPTUCQXUSHMU-INIZCTEOSA-N 0 0 332.350 3.274 20 10 EGCDRN Oc1cc(F)c(F)cc1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001142534748 1378455381 /nfs/dbraw/zinc/45/53/81/1378455381.db2.gz 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1380506235 /nfs/dbraw/zinc/50/62/35/1380506235.db2.gz BTPBWHFIYCAKRK-UHFFFAOYSA-N 0 0 327.409 3.364 20 10 EGCDRN Cc1cc(N2CCCc3cc(O)c(O)cc3C2)nc(-c2ccco2)n1 ZINC001155944986 1380507336 /nfs/dbraw/zinc/50/73/36/1380507336.db2.gz NWNNLNGRGNDKMR-UHFFFAOYSA-N 0 0 337.379 3.409 20 10 EGCDRN Oc1ccc(CNc2nc(Cl)nc3c(Cl)nccc23)cc1O ZINC001158997937 1381501792 /nfs/dbraw/zinc/50/17/92/1381501792.db2.gz VWKSEKHCEAVNND-UHFFFAOYSA-N 0 0 337.166 3.355 20 10 EGCDRN O=C(CNc1ccc2ccc3cccnc3c2n1)c1ccc(O)c(O)c1 ZINC001159277746 1381749550 /nfs/dbraw/zinc/74/95/50/1381749550.db2.gz YABTXRDDORDDOT-UHFFFAOYSA-N 0 0 345.358 3.489 20 10 EGCDRN O=C(CNc1nc(Cl)nc2cccc(F)c21)c1ccc(O)c(O)c1 ZINC001159277235 1381749747 /nfs/dbraw/zinc/74/97/47/1381749747.db2.gz QYKPBYZBSRCHEX-UHFFFAOYSA-N 0 0 347.733 3.128 20 10 EGCDRN COC(=O)c1cccc(Nc2ccc3c(c2)CCCN3)c1C(=O)OC ZINC001159661599 1381863014 /nfs/dbraw/zinc/86/30/14/1381863014.db2.gz BGQVIPJJMWBYMN-UHFFFAOYSA-N 0 0 340.379 3.362 20 10 EGCDRN CC(=O)Nc1cccc(NCc2cc(Br)ccc2O)n1 ZINC001160019189 1381969041 /nfs/dbraw/zinc/96/90/41/1381969041.db2.gz AXGMVALGALLQRZ-UHFFFAOYSA-N 0 0 336.189 3.120 20 10 EGCDRN Cc1cccc(CNc2ccnc(NC(=O)OC(C)(C)C)n2)c1O ZINC001160769030 1382190518 /nfs/dbraw/zinc/19/05/18/1382190518.db2.gz HSPTYIPMAQWDGJ-UHFFFAOYSA-N 0 0 330.388 3.450 20 10 EGCDRN Cc1cccc(CNc2nc(Cl)nc3c(Cl)ncnc23)c1O ZINC001160771455 1382191501 /nfs/dbraw/zinc/19/15/01/1382191501.db2.gz WDICCUBKVXVTIW-UHFFFAOYSA-N 0 0 336.182 3.353 20 10 EGCDRN Cc1cccc(CNc2nc(-c3ccncc3)nc3c2CCC3)c1O ZINC001160770744 1382191556 /nfs/dbraw/zinc/19/15/56/1382191556.db2.gz DAXMYXGLPJXFFY-UHFFFAOYSA-N 0 0 332.407 3.075 20 10 EGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cc(C(N)=O)ccn1 ZINC001163486033 1383062574 /nfs/dbraw/zinc/06/25/74/1383062574.db2.gz BKIFTGFOGSZCKZ-QGZVFWFLSA-N 0 0 325.412 3.238 20 10 EGCDRN O=c1cc2[nH]cc(NCc3cc(Cl)c4cccnc4c3O)cc-2[nH]1 ZINC001168522726 1383929607 /nfs/dbraw/zinc/92/96/07/1383929607.db2.gz IPMVSYPUVXHNSC-UHFFFAOYSA-N 0 0 340.770 3.096 20 10 EGCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NC[C@H](C)OC)N=[N+]=[N-] ZINC001169773384 1384185143 /nfs/dbraw/zinc/18/51/43/1384185143.db2.gz YNVQHVAGSYSYAM-KSSSLANASA-N 0 0 333.392 3.360 20 10 EGCDRN Oc1ccc(CNc2ccc(N3CCc4ccccc4C3)nn2)cc1O ZINC001169991053 1384212277 /nfs/dbraw/zinc/21/22/77/1384212277.db2.gz XICSNKXSBLBCRC-UHFFFAOYSA-N 0 0 348.406 3.063 20 10 EGCDRN CC(C)(C)c1cc(Cl)nnc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170313850 1384288578 /nfs/dbraw/zinc/28/85/78/1384288578.db2.gz FDQBINYMGHITCW-UHFFFAOYSA-N 0 0 335.791 3.134 20 10 EGCDRN C[C@@H]1CCCCN1c1cccc(NCC(=O)c2ccc(O)c(O)c2)n1 ZINC001170316442 1384289052 /nfs/dbraw/zinc/28/90/52/1384289052.db2.gz ROJHTSHITIDJLH-CYBMUJFWSA-N 0 0 341.411 3.166 20 10 EGCDRN Cc1ccnc(-c2cc(C)cc(NCC(=O)c3ccc(O)c(O)c3)n2)c1 ZINC001170323038 1384290639 /nfs/dbraw/zinc/29/06/39/1384290639.db2.gz UVCQYASVYUBGML-UHFFFAOYSA-N 0 0 349.390 3.466 20 10 EGCDRN O=C1COc2cccc(NCc3cc(Br)ccc3O)c2N1 ZINC001171175882 1384461051 /nfs/dbraw/zinc/46/10/51/1384461051.db2.gz FZRQUVNMGLKXHE-UHFFFAOYSA-N 0 0 349.184 3.098 20 10 EGCDRN CON(C)C(=O)c1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171406606 1384513858 /nfs/dbraw/zinc/51/38/58/1384513858.db2.gz AUICSMRJERGZGN-UHFFFAOYSA-N 0 0 337.379 3.186 20 10 EGCDRN CO[C@H]1CCC[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001335842696 1388949445 /nfs/dbraw/zinc/94/94/45/1388949445.db2.gz GXTZQRHZBXDJPH-AEFFLSMTSA-N 0 0 329.396 3.329 20 10 EGCDRN Cc1ccncc1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001174117785 1385061584 /nfs/dbraw/zinc/06/15/84/1385061584.db2.gz KTOOGSCQAZXWGL-UHFFFAOYSA-N 0 0 329.359 3.491 20 10 EGCDRN Nc1cc(F)ccc1S(=O)(=O)Nc1cccc(N2CCCCC2)c1 ZINC001174304987 1385095575 /nfs/dbraw/zinc/09/55/75/1385095575.db2.gz HRRBWAGFGLXESP-UHFFFAOYSA-N 0 0 349.431 3.199 20 10 EGCDRN CCOc1cc(C)c(N(c2ccc(N)cc2)S(C)(=O)=O)c(C)c1 ZINC001175173276 1385211306 /nfs/dbraw/zinc/21/13/06/1385211306.db2.gz IUYRDEPZTSCKHW-UHFFFAOYSA-N 0 0 334.441 3.382 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccncc1C 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EGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000269227336 455816119 /nfs/dbraw/zinc/81/61/19/455816119.db2.gz SEMQCQMNTOLJFA-NWDGAFQWSA-N 0 0 331.334 3.125 20 10 EGCDRN CCCCCC[C@](C)(NC(=O)Cc1ccc(N)cc1)C(=O)OCC ZINC000269229816 455816629 /nfs/dbraw/zinc/81/66/29/455816629.db2.gz QJMAKYHIKWKXHC-IBGZPJMESA-N 0 0 334.460 3.220 20 10 EGCDRN Cc1coc(C)c1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000285362080 455830601 /nfs/dbraw/zinc/83/06/01/455830601.db2.gz SPBOLXJSRVDRLK-MRXNPFEDSA-N 0 0 329.396 3.423 20 10 EGCDRN COC(=O)c1cnc(SCc2csc([C@H](C)OC)n2)s1 ZINC000295163448 455840849 /nfs/dbraw/zinc/84/08/49/455840849.db2.gz HFZZAIRSWHPRGW-ZETCQYMHSA-N 0 0 330.456 3.386 20 10 EGCDRN CCO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000278631285 455843545 /nfs/dbraw/zinc/84/35/45/455843545.db2.gz IEPIDPVOPAIMDC-MRXNPFEDSA-N 0 0 346.383 3.176 20 10 EGCDRN COC(=O)c1cnc(SCCC(=O)Nc2ccccc2C)s1 ZINC000295278699 455845387 /nfs/dbraw/zinc/84/53/87/455845387.db2.gz 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ZINC000296003451 455866232 /nfs/dbraw/zinc/86/62/32/455866232.db2.gz SBMSKTLZDAQFFK-UHFFFAOYSA-N 0 0 347.846 3.083 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCSC2)cc1F ZINC000279576242 455867980 /nfs/dbraw/zinc/86/79/80/455867980.db2.gz OVYBBHHMILEFRH-AWEZNQCLSA-N 0 0 339.480 3.224 20 10 EGCDRN Cc1sc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nc1C(C)C ZINC000279643777 455869273 /nfs/dbraw/zinc/86/92/73/455869273.db2.gz CUGCIBDADGHGPR-NSHDSACASA-N 0 0 348.468 3.276 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000296164775 455870104 /nfs/dbraw/zinc/87/01/04/455870104.db2.gz WTDPRVUEFFEPBU-JTQLQIEISA-N 0 0 347.327 3.068 20 10 EGCDRN C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000272239329 455888450 /nfs/dbraw/zinc/88/84/50/455888450.db2.gz YEZYAYCQKHXNCN-CQSZACIVSA-N 0 0 332.469 3.470 20 10 EGCDRN C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000187802134 455954573 /nfs/dbraw/zinc/95/45/73/455954573.db2.gz XPVURIBCIFNYQX-ZETCQYMHSA-N 0 0 335.276 3.274 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000272516860 455979757 /nfs/dbraw/zinc/97/97/57/455979757.db2.gz VJRHHCAGMRQEDC-KRXBUXKQSA-N 0 0 339.391 3.223 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCC(F)(F)C2)cc1 ZINC000280516431 455987881 /nfs/dbraw/zinc/98/78/81/455987881.db2.gz FWYADPKLKMVOHS-AWEZNQCLSA-N 0 0 325.403 3.329 20 10 EGCDRN CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286229920 456005152 /nfs/dbraw/zinc/00/51/52/456005152.db2.gz STWLVPHFYGMMJJ-RHSMWYFYSA-N 0 0 337.366 3.151 20 10 EGCDRN CCCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000272688185 456040083 /nfs/dbraw/zinc/04/00/83/456040083.db2.gz CVJUDBLYMXLCSU-UHFFFAOYSA-N 0 0 328.460 3.410 20 10 EGCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000286449480 456047176 /nfs/dbraw/zinc/04/71/76/456047176.db2.gz ADFDBRPRJQVGBW-UHFFFAOYSA-N 0 0 340.395 3.169 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCC=C(c3ccncc3)C2)cc1OC ZINC000286561356 456049468 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CN(C)c1ccc(CN(Cc2nc(N)c3ccccc3n2)C2CC2)cc1 ZINC000272842180 456088406 /nfs/dbraw/zinc/08/84/06/456088406.db2.gz OFWXNDPXPKPGQK-UHFFFAOYSA-N 0 0 347.466 3.443 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@]3(C)CCCOC3)ccc21 ZINC000332619191 456099590 /nfs/dbraw/zinc/09/95/90/456099590.db2.gz NIQRYIRAECASNM-HXUWFJFHSA-N 0 0 344.455 3.203 20 10 EGCDRN COc1ccc(N2CCN(c3ncnc4cccc(C)c43)CC2)cc1 ZINC000301481836 456126798 /nfs/dbraw/zinc/12/67/98/456126798.db2.gz FCIUKALPNSYLIS-UHFFFAOYSA-N 0 0 334.423 3.273 20 10 EGCDRN COC(=O)[C@@H]1CCN(C(=O)/C=C/c2cnccc2C)c2ccccc21 ZINC000273008413 456143744 /nfs/dbraw/zinc/14/37/44/456143744.db2.gz OFRYTCQUOBDZMB-IWAYRVGRSA-N 0 0 336.391 3.097 20 10 EGCDRN COc1ccc(N2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)cc1F ZINC000301563545 456148323 /nfs/dbraw/zinc/14/83/23/456148323.db2.gz LDDYSZLDOKDUKM-UHFFFAOYSA-N 0 0 345.374 3.378 20 10 EGCDRN CCn1ccnc1[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000281197884 456162079 /nfs/dbraw/zinc/16/20/79/456162079.db2.gz SOXMVEJVXCMGCE-AWEZNQCLSA-N 0 0 329.400 3.065 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000297302655 456178991 /nfs/dbraw/zinc/17/89/91/456178991.db2.gz MJUBBZXQQAWRDL-RYUDHWBXSA-N 0 0 347.286 3.196 20 10 EGCDRN COC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccc(C)o1 ZINC000273363282 456224939 /nfs/dbraw/zinc/22/49/39/456224939.db2.gz AUKHZVONXQARLX-SWLSCSKDSA-N 0 0 333.384 3.119 20 10 EGCDRN CCc1nc(CC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])cs1 ZINC000273361065 456225746 /nfs/dbraw/zinc/22/57/46/456225746.db2.gz AKIRFTRDFAJUTJ-LLVKDONJSA-N 0 0 334.441 3.091 20 10 EGCDRN CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273390253 456226449 /nfs/dbraw/zinc/22/64/49/456226449.db2.gz KKKQUDWDJFFLLH-LBPRGKRZSA-N 0 0 331.372 3.333 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000273382868 456226936 /nfs/dbraw/zinc/22/69/36/456226936.db2.gz ISOBMXWOLDFAKU-NWDGAFQWSA-N 0 0 344.367 3.499 20 10 EGCDRN 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ZINC000894779212 1309064678 /nfs/dbraw/zinc/06/46/78/1309064678.db2.gz DNLFIFWPCCALII-HNNXBMFYSA-N 0 0 346.240 3.421 20 10 EGCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000894882493 1309113433 /nfs/dbraw/zinc/11/34/33/1309113433.db2.gz ADYTXEGHZQYEDD-OAHLLOKOSA-N 0 0 327.758 3.489 20 10 EGCDRN CCN(CC)c1ccc(CN(C)[C@H](C)c2nnnn2C2CC2)cc1 ZINC000792199533 1309142988 /nfs/dbraw/zinc/14/29/88/1309142988.db2.gz UCBPLBYPDWCUKT-CQSZACIVSA-N 0 0 328.464 3.047 20 10 EGCDRN Cn1nc(C(F)F)c2cc(C(=O)NCc3ccccc3O)sc21 ZINC000792239134 1309148895 /nfs/dbraw/zinc/14/88/95/1309148895.db2.gz CUBILLGDAHEELZ-UHFFFAOYSA-N 0 0 337.351 3.208 20 10 EGCDRN C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895034378 1309165350 /nfs/dbraw/zinc/16/53/50/1309165350.db2.gz QIECMOHKSWPDIW-UWVGGRQHSA-N 0 0 348.668 3.258 20 10 EGCDRN Cc1cc(C(=O)OCCc2cncn2C)c(C)n1-c1ccc(F)cc1 ZINC000793244004 1309328293 /nfs/dbraw/zinc/32/82/93/1309328293.db2.gz YWXWJHHICGPORZ-UHFFFAOYSA-N 0 0 341.386 3.366 20 10 EGCDRN C[C@H]([NH2+]CCC1(O)CCC1)c1cc(Br)c(F)cc1[O-] ZINC000793567481 1309406866 /nfs/dbraw/zinc/40/68/66/1309406866.db2.gz YDEOZLSUWWHOPQ-VIFPVBQESA-N 0 0 332.213 3.250 20 10 EGCDRN COC(=O)[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000794136175 1309472098 /nfs/dbraw/zinc/47/20/98/1309472098.db2.gz XGGIHEZKRWLRNS-OAHLLOKOSA-N 0 0 328.412 3.036 20 10 EGCDRN Cc1noc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000794141247 1309473247 /nfs/dbraw/zinc/47/32/47/1309473247.db2.gz RRYNRYBETGJVAW-SECBINFHSA-N 0 0 328.199 3.380 20 10 EGCDRN CCCc1nc(C)c(CN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000794262494 1309496204 /nfs/dbraw/zinc/49/62/04/1309496204.db2.gz WNMIYHMRTNQPIE-UHFFFAOYSA-N 0 0 329.444 3.266 20 10 EGCDRN COc1ccc(CNC(=O)Cc2cccc(OC(C)C)c2)c(O)c1 ZINC000794374457 1309512394 /nfs/dbraw/zinc/51/23/94/1309512394.db2.gz UEDOWRFHBCVHTH-UHFFFAOYSA-N 0 0 329.396 3.047 20 10 EGCDRN COc1ccc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)c(O)c1 ZINC000794382287 1309514783 /nfs/dbraw/zinc/51/47/83/1309514783.db2.gz UMFAAQDEHRCWAF-NSHDSACASA-N 0 0 335.787 3.138 20 10 EGCDRN CCc1c(C(=O)NCc2ccc(OC)cc2O)cnn1CCC(C)C ZINC000794380692 1309515102 /nfs/dbraw/zinc/51/51/02/1309515102.db2.gz HBHRGRSEUDCCQV-UHFFFAOYSA-N 0 0 345.443 3.136 20 10 EGCDRN COc1ccc(CNC(=O)[C@@H](C)CCc2cccc(F)c2)c(O)c1 ZINC000794379319 1309515327 /nfs/dbraw/zinc/51/53/27/1309515327.db2.gz OZZGPFCOHNWWCV-ZDUSSCGKSA-N 0 0 331.387 3.425 20 10 EGCDRN CCC[C@@]12CCCN1C(=O)N([C@@H](C)c1ccc(N(C)C)cc1)C2=O ZINC000794778311 1309592360 /nfs/dbraw/zinc/59/23/60/1309592360.db2.gz WWMHTHJYWILLQW-LIRRHRJNSA-N 0 0 329.444 3.411 20 10 EGCDRN CCC[C@]12CCCN1C(=O)N([C@@H](C)c1ccc(N(C)C)cc1)C2=O ZINC000794778309 1309593036 /nfs/dbraw/zinc/59/30/36/1309593036.db2.gz WWMHTHJYWILLQW-IFXJQAMLSA-N 0 0 329.444 3.411 20 10 EGCDRN C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Br)cc(F)c1[O-] ZINC000794837092 1309605364 /nfs/dbraw/zinc/60/53/64/1309605364.db2.gz WIGMCNUFJKUOPK-SKDRFNHKSA-N 0 0 346.240 3.496 20 10 EGCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3nnc(C(C)C)[nH]3)sc2n1 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CN(C)c1ccc(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001203931691 1370319555 /nfs/dbraw/zinc/31/95/55/1370319555.db2.gz TWRAQBLQOACFIG-UHFFFAOYSA-N 0 0 345.487 3.338 20 10 EGCDRN CCC1(NC(=O)OC(C)(C)C)CN(Cc2ccc(N(C)C)cc2)C1 ZINC001203935796 1370321261 /nfs/dbraw/zinc/32/12/61/1370321261.db2.gz DOKZPDVXYMPXBD-UHFFFAOYSA-N 0 0 333.476 3.242 20 10 EGCDRN CCN(CC)c1ccc(CN2Cc3ncn(C)c3[C@H](COC)C2)cc1 ZINC001203940453 1370323782 /nfs/dbraw/zinc/32/37/82/1370323782.db2.gz ZPNBDGINNVXRKE-KRWDZBQOSA-N 0 0 342.487 3.012 20 10 EGCDRN COCc1cnc2n1CCN(Cc1ccc(N3CCCC3)cc1)[C@H]2C ZINC001204328403 1370445355 /nfs/dbraw/zinc/44/53/55/1370445355.db2.gz UZTCQJKIGGETRF-INIZCTEOSA-N 0 0 340.471 3.207 20 10 EGCDRN O=C(COC(=O)C1=CC(=O)CS1)c1ccc(Br)s1 ZINC001116035372 1370824157 /nfs/dbraw/zinc/82/41/57/1370824157.db2.gz OZXOECPCRZGQLI-UHFFFAOYSA-N 0 0 347.211 3.317 20 10 EGCDRN CCOc1ccc(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)cc1 ZINC001116350620 1370891058 /nfs/dbraw/zinc/89/10/58/1370891058.db2.gz 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/nfs/dbraw/zinc/36/08/42/1371360842.db2.gz GTMWUGYBXBZEQD-UHFFFAOYSA-N 0 0 325.412 3.028 20 10 EGCDRN CCCCc1ccc(NC(=O)NC[C@H](O)c2ccc(O)c(O)c2)cc1 ZINC001187721145 1388150431 /nfs/dbraw/zinc/15/04/31/1388150431.db2.gz QGCMYQGGTKLGRW-SFHVURJKSA-N 0 0 344.411 3.296 20 10 EGCDRN FC(F)(F)Oc1ccc(N2CCN(Cc3cncs3)CC2)cc1 ZINC001209553181 1372134491 /nfs/dbraw/zinc/13/44/91/1372134491.db2.gz RABVFVSICLEACL-UHFFFAOYSA-N 0 0 343.374 3.364 20 10 EGCDRN CN(C)c1cncc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)c1 ZINC001210472191 1372361827 /nfs/dbraw/zinc/36/18/27/1372361827.db2.gz KTKWBRHGVXMXMT-SBQQNHAOSA-N 0 0 333.399 3.415 20 10 EGCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3cc(F)c(F)cc3F)no2)cc1 ZINC001211701124 1372604986 /nfs/dbraw/zinc/60/49/86/1372604986.db2.gz KLFLHAUNLBHCPC-OAHLLOKOSA-N 0 0 349.312 3.302 20 10 EGCDRN CN(C)c1ccc([C@H](O)c2nc(-c3ccc4c(ccn4C)c3)no2)cc1 ZINC001211701246 1372605078 /nfs/dbraw/zinc/60/50/78/1372605078.db2.gz OVURQNKZLLIFIR-SFHVURJKSA-N 0 0 348.406 3.376 20 10 EGCDRN COc1ccc(C2(C(=O)NCc3cccc(O)c3O)CCCC2)cc1 ZINC001123889714 1372618728 /nfs/dbraw/zinc/61/87/28/1372618728.db2.gz PWULLKGBOUVXDA-UHFFFAOYSA-N 0 0 341.407 3.235 20 10 EGCDRN COc1cc(Br)cc(-c2noc(-c3csnn3)n2)c1 ZINC001212362125 1372694434 /nfs/dbraw/zinc/69/44/34/1372694434.db2.gz NWFDBJICUSVUKF-UHFFFAOYSA-N 0 0 339.174 3.026 20 10 EGCDRN CCOC(=O)c1cc(Nc2ccc(OC(F)(F)F)cc2O)ccn1 ZINC001214387826 1373053215 /nfs/dbraw/zinc/05/32/15/1373053215.db2.gz VTQFOGNGRSTACV-UHFFFAOYSA-N 0 0 342.273 3.028 20 10 EGCDRN COc1cc(Cl)c(-c2noc(-c3cccc(O)c3O)n2)cc1OC ZINC001215145981 1373177944 /nfs/dbraw/zinc/17/79/44/1373177944.db2.gz VJYHKESKZMVRCZ-UHFFFAOYSA-N 0 0 348.742 3.485 20 10 EGCDRN Cc1cc(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2)ccc1N ZINC001216088499 1373261151 /nfs/dbraw/zinc/26/11/51/1373261151.db2.gz XERJCALZBZAUBY-UHFFFAOYSA-N 0 0 326.805 3.045 20 10 EGCDRN Oc1cc2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)[nH]c2cc1O ZINC001217471798 1373448398 /nfs/dbraw/zinc/44/83/98/1373448398.db2.gz VOBKJNVOZKOCDM-UHFFFAOYSA-N 0 0 337.291 3.025 20 10 EGCDRN Cc1cc[nH]c(=O)c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001326806290 1388316477 /nfs/dbraw/zinc/31/64/77/1388316477.db2.gz ROANLARYHQTKGM-UHFFFAOYSA-N 0 0 325.412 3.016 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)COCc1ccncc1 ZINC001326903765 1388344905 /nfs/dbraw/zinc/34/49/05/1388344905.db2.gz ZLUWXCCHNLDNBI-UHFFFAOYSA-N 0 0 328.412 3.133 20 10 EGCDRN Oc1c(O)c(O)c(O[C@H]2CCCC[C@@H]2c2ccccc2)c(O)c1O ZINC001226467252 1375263245 /nfs/dbraw/zinc/26/32/45/1375263245.db2.gz GMHNKKIYNBLFFW-NEPJUHHUSA-N 0 0 332.352 3.320 20 10 EGCDRN O=C1c2ccccc2C(=O)c2c1ccc(O)c2OC[C@H]1CCCCO1 ZINC001227580387 1375447295 /nfs/dbraw/zinc/44/72/95/1375447295.db2.gz OEPYZFGRJCDOCV-GFCCVEGCSA-N 0 0 338.359 3.116 20 10 EGCDRN C[C@H](O)C(=O)OC1=CC(=NNc2ccc([N+](=O)[O-])cc2)C=CC1=O ZINC001228570857 1375600853 /nfs/dbraw/zinc/60/08/53/1375600853.db2.gz MBBUROTVZXAIGQ-DKIZVAMUSA-N 0 0 331.284 3.002 20 10 EGCDRN O=C(CNC(=O)Nc1cccc2ccccc21)c1ccc(O)c(O)c1 ZINC001188951508 1388418461 /nfs/dbraw/zinc/41/84/61/1388418461.db2.gz FTHBHFAAKOXXOC-UHFFFAOYSA-N 0 0 336.347 3.255 20 10 EGCDRN CC1=CC(=O)C=C(OC(=O)[C@H](C)O)C1=NNc1ccc([N+](=O)[O-])cc1 ZINC001231291897 1376222852 /nfs/dbraw/zinc/22/28/52/1376222852.db2.gz PKUOKTGCEOYHFX-ZRQYBVSLSA-N 0 0 345.311 3.310 20 10 EGCDRN Cc1cc(O)c(CN2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)cc1Cl ZINC001231867571 1376329610 /nfs/dbraw/zinc/32/96/10/1376329610.db2.gz MQNKONBNWWUFDR-STQMWFEESA-N 0 0 341.732 3.191 20 10 EGCDRN CCOC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)Cc2ncn(C)c21 ZINC001231868944 1376330943 /nfs/dbraw/zinc/33/09/43/1376330943.db2.gz ZSNPWURGPFZBQO-AWEZNQCLSA-N 0 0 349.862 3.223 20 10 EGCDRN COc1ccc(N2CCN(Cc3cc(Cl)c(C)cc3O)CC2)nc1 ZINC001231871619 1376333193 /nfs/dbraw/zinc/33/31/93/1376333193.db2.gz OMCKFMFPSNVTFC-UHFFFAOYSA-N 0 0 347.846 3.080 20 10 EGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001231912026 1376348658 /nfs/dbraw/zinc/34/86/58/1376348658.db2.gz UHRYEUDYSVOZGZ-QAPCUYQASA-N 0 0 337.847 3.206 20 10 EGCDRN COC(=O)c1cccc2c1CN(Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232263175 1376426425 /nfs/dbraw/zinc/42/64/25/1376426425.db2.gz JEEXJBCTFBVSQE-UHFFFAOYSA-N 0 0 347.798 3.096 20 10 EGCDRN COc1cc(O)c(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1Cl ZINC001232270257 1376426914 /nfs/dbraw/zinc/42/69/14/1376426914.db2.gz ZPUSTFZMJKIIOR-ZDUSSCGKSA-N 0 0 341.835 3.360 20 10 EGCDRN COc1cc(O)c(CN2CCO[C@@H](c3ccncc3)C2)cc1Cl ZINC001232269188 1376428038 /nfs/dbraw/zinc/42/80/38/1376428038.db2.gz SNBBIQWCHFXSCL-QGZVFWFLSA-N 0 0 334.803 3.023 20 10 EGCDRN CCOc1ccc(N2CCN(Cc3cnc(OC)cc3C)CC2)cc1 ZINC001232353507 1376447749 /nfs/dbraw/zinc/44/77/49/1376447749.db2.gz BNBKTMPNJPBVJV-UHFFFAOYSA-N 0 0 341.455 3.120 20 10 EGCDRN CC(C)OCC[NH+](CCOC(C)C)Cc1ccc(F)c(F)c1[O-] ZINC001233076968 1376563113 /nfs/dbraw/zinc/56/31/13/1376563113.db2.gz AIZWUKPWYVESLQ-UHFFFAOYSA-N 0 0 331.403 3.322 20 10 EGCDRN CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC001233079606 1376564745 /nfs/dbraw/zinc/56/47/45/1376564745.db2.gz HACLMFVGMMHREC-NWDGAFQWSA-N 0 0 327.371 3.082 20 10 EGCDRN Cc1cc(Br)cc(CN2CC(Oc3cccnc3)C2)c1O ZINC001233110252 1376570422 /nfs/dbraw/zinc/57/04/22/1376570422.db2.gz IHKOEDTXVGDOIR-UHFFFAOYSA-N 0 0 349.228 3.121 20 10 EGCDRN CCC[N@H+](CC)Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233305719 1376607759 /nfs/dbraw/zinc/60/77/59/1376607759.db2.gz QOTQYYJKVSTTTE-UHFFFAOYSA-N 0 0 330.222 3.173 20 10 EGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001233334730 1376618625 /nfs/dbraw/zinc/61/86/25/1376618625.db2.gz RCKNEMFBACCAIT-UHFFFAOYSA-N 0 0 337.341 3.293 20 10 EGCDRN OC[C@H]1CCC(F)(F)CN1Cc1ccc(C(F)(F)F)cc1O ZINC001233452176 1376649110 /nfs/dbraw/zinc/64/91/10/1376649110.db2.gz MYMNMVXGIGUSMW-LLVKDONJSA-N 0 0 325.277 3.003 20 10 EGCDRN Cc1nc2c(o1)CCN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233776494 1376714507 /nfs/dbraw/zinc/71/45/07/1376714507.db2.gz UTAPYWANGGSXJF-UHFFFAOYSA-N 0 0 328.290 3.146 20 10 EGCDRN CN(C)c1ccnc(Cl)c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001234151167 1376778177 /nfs/dbraw/zinc/77/81/77/1376778177.db2.gz PYMFJPSPSUGZAO-UHFFFAOYSA-N 0 0 347.846 3.161 20 10 EGCDRN COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(Br)c1 ZINC001237059540 1376973778 /nfs/dbraw/zinc/97/37/78/1376973778.db2.gz MDVXFAZNSUKUOJ-MWODSPESSA-N 0 0 330.197 3.096 20 10 EGCDRN O=c1cc(-c2ccc(Cl)c3c[nH]nc32)ccn1Cc1ccncc1 ZINC001244400565 1377036831 /nfs/dbraw/zinc/03/68/31/1377036831.db2.gz WKNVJRAAMWGTAT-UHFFFAOYSA-N 0 0 336.782 3.488 20 10 EGCDRN Oc1ccc(CCc2nc(-c3ccccc3-n3ccnc3)no2)cc1O ZINC001248984110 1377071824 /nfs/dbraw/zinc/07/18/24/1377071824.db2.gz MUHIHGXOYGKDQC-UHFFFAOYSA-N 0 0 348.362 3.119 20 10 EGCDRN Oc1ccc(CCc2nc(-c3ccc(-n4cccn4)cc3)no2)cc1O ZINC001248983626 1377071908 /nfs/dbraw/zinc/07/19/08/1377071908.db2.gz GPASVSBAWUDZIO-UHFFFAOYSA-N 0 0 348.362 3.119 20 10 EGCDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1c([O-])cccc1F ZINC001137832683 1377624219 /nfs/dbraw/zinc/62/42/19/1377624219.db2.gz DIHYOGNKPOVMTA-LSDHHAIUSA-N 0 0 336.407 3.115 20 10 EGCDRN C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138131341 1377683415 /nfs/dbraw/zinc/68/34/15/1377683415.db2.gz XFUMCNMKNUSQDT-IUODEOHRSA-N 0 0 338.423 3.409 20 10 EGCDRN Cc1c(CN2CCN(C(=O)CC(C)C)CC2)c2ccccc2n1C ZINC001138258074 1377694969 /nfs/dbraw/zinc/69/49/69/1377694969.db2.gz KKZHVZSLOJKVSK-UHFFFAOYSA-N 0 0 327.472 3.177 20 10 EGCDRN CCN(CC)c1ccc(CN2CCc3ncccc3C2)c(OC)c1 ZINC001138389268 1377714455 /nfs/dbraw/zinc/71/44/55/1377714455.db2.gz HUFBRUYTOUTNBZ-UHFFFAOYSA-N 0 0 325.456 3.495 20 10 EGCDRN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129025 1377834583 /nfs/dbraw/zinc/83/45/83/1377834583.db2.gz LCCCHFLZYBHTDG-MRXNPFEDSA-N 0 0 331.412 3.196 20 10 EGCDRN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1c(F)ccc(F)c1[O-] ZINC001139687467 1377934845 /nfs/dbraw/zinc/93/48/45/1377934845.db2.gz MPOQDUOZOVQKBG-INIZCTEOSA-N 0 0 332.350 3.274 20 10 EGCDRN CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1cc(F)ccc1O ZINC001140055061 1377996751 /nfs/dbraw/zinc/99/67/51/1377996751.db2.gz 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QZWAEMBVRIYMQV-AWEZNQCLSA-N 0 0 336.395 3.152 20 10 EGCDRN CCSCc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)no1 ZINC000185460461 455561449 /nfs/dbraw/zinc/56/14/49/455561449.db2.gz CSIGRHMRCRKVDC-UHFFFAOYSA-N 0 0 337.420 3.063 20 10 EGCDRN CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000185657514 455590647 /nfs/dbraw/zinc/59/06/47/455590647.db2.gz HMXMNKSIYNVACK-WNBORZDKSA-N 0 0 325.474 3.131 20 10 EGCDRN COc1ccc(N(CC2CCS(=O)(=O)CC2)[C@H](C)C2CC2)cc1 ZINC000271328307 455599789 /nfs/dbraw/zinc/59/97/89/455599789.db2.gz VBRLHVVQZKAVBN-CQSZACIVSA-N 0 0 337.485 3.125 20 10 EGCDRN C[C@H]1C(=O)N(Cc2ccc(N3CCC(C)CC3)cc2)C(=O)N1C1CC1 ZINC000277798148 455669419 /nfs/dbraw/zinc/66/94/19/455669419.db2.gz LNWZCJYSKXOCHH-HNNXBMFYSA-N 0 0 341.455 3.238 20 10 EGCDRN C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(F)cc1[O-] ZINC000186039077 455682090 /nfs/dbraw/zinc/68/20/90/455682090.db2.gz TXXGGEVMCSERFP-NSHDSACASA-N 0 0 331.366 3.450 20 10 EGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000192741285 455683170 /nfs/dbraw/zinc/68/31/70/455683170.db2.gz YLWQYDSXRFXBND-MNOVXSKESA-N 0 0 328.368 3.293 20 10 EGCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000186086778 455690722 /nfs/dbraw/zinc/69/07/22/455690722.db2.gz RZXNZVNSVMAQQY-PZJWPPBQSA-N 0 0 344.499 3.194 20 10 EGCDRN COCc1ccc(/C=C2\SC(=S)N(CCCSC)C2=O)o1 ZINC000268713330 455710900 /nfs/dbraw/zinc/71/09/00/455710900.db2.gz DXUBMRFSTFJZJX-WQLSENKSSA-N 0 0 343.495 3.380 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc(F)nc2)C2CC2)cc1 ZINC000268910425 455727217 /nfs/dbraw/zinc/72/72/17/455727217.db2.gz FSTUBYOAVYFEAL-UHFFFAOYSA-N 0 0 328.391 3.483 20 10 EGCDRN COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000193276855 455750823 /nfs/dbraw/zinc/75/08/23/455750823.db2.gz XUBCNWMCBHFNOH-HNNXBMFYSA-N 0 0 336.775 3.431 20 10 EGCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186388834 455758447 /nfs/dbraw/zinc/75/84/47/455758447.db2.gz NXNIWDXCTUAUHL-AUUYWEPGSA-N 0 0 343.423 3.311 20 10 EGCDRN Cc1nnsc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000292817912 455761971 /nfs/dbraw/zinc/76/19/71/455761971.db2.gz ASZQKOHNPURWOS-UHFFFAOYSA-N 0 0 347.488 3.033 20 10 EGCDRN Cc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Cl)n1 ZINC000186420014 455764253 /nfs/dbraw/zinc/76/42/53/455764253.db2.gz CGRUJSLJDXGGCM-LLVKDONJSA-N 0 0 334.803 3.124 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000186419151 455764668 /nfs/dbraw/zinc/76/46/68/455764668.db2.gz MJXWRGQSDAZCCF-CQSZACIVSA-N 0 0 334.460 3.072 20 10 EGCDRN C[C@H]1C[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 ZINC000271815874 455771993 /nfs/dbraw/zinc/77/19/93/455771993.db2.gz BZSDMCGZVMINPH-QWHCGFSZSA-N 0 0 349.386 3.216 20 10 EGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@@H]1OCCc2sccc21 ZINC000293514703 455788754 /nfs/dbraw/zinc/78/87/54/455788754.db2.gz XQCAQDHWJVQVKF-PXAZEXFGSA-N 0 0 331.437 3.362 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)C(C)(C)COC)ccc21 ZINC000293874064 455799540 /nfs/dbraw/zinc/79/95/40/455799540.db2.gz FDOXHTWNESLTQJ-UHFFFAOYSA-N 0 0 346.471 3.402 20 10 EGCDRN C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000278251621 455799659 /nfs/dbraw/zinc/79/96/59/455799659.db2.gz MPJRVPWYQKAHQK-QMMMGPOBSA-N 0 0 327.215 3.088 20 10 EGCDRN Cc1cc(C(=O)N2CCCO[C@H](C(C)C)C2)c(C)n1-c1ccccn1 ZINC000294435681 455815658 /nfs/dbraw/zinc/81/56/58/455815658.db2.gz NXFJLEIOGSOQHD-SFHVURJKSA-N 0 0 341.455 3.376 20 10 EGCDRN Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000278325643 455817632 /nfs/dbraw/zinc/81/76/32/455817632.db2.gz GOHXAHOJBYWCCC-UHFFFAOYSA-N 0 0 344.640 3.140 20 10 EGCDRN Cc1cc(CN2CCSC[C@@H]2c2cnn(C)c2)ccc1N(C)C ZINC000294605980 455821325 /nfs/dbraw/zinc/82/13/25/455821325.db2.gz NXCSSHWYEVMVJG-GOSISDBHSA-N 0 0 330.501 3.085 20 10 EGCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000294737930 455826153 /nfs/dbraw/zinc/82/61/53/455826153.db2.gz CALPTSYRWNRBAH-WBVHZDCISA-N 0 0 348.462 3.229 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](OC)C3CC3)ccc21 ZINC000294768964 455826290 /nfs/dbraw/zinc/82/62/90/455826290.db2.gz ZMPCUILYGPCRDQ-LJQANCHMSA-N 0 0 344.455 3.059 20 10 EGCDRN CC[N@H+](Cc1cccnc1N)Cc1cc(Br)ccc1O ZINC000294841654 455830176 /nfs/dbraw/zinc/83/01/76/455830176.db2.gz BMQUDOFXMWMMCQ-UHFFFAOYSA-N 0 0 336.233 3.154 20 10 EGCDRN C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278376215 455834405 /nfs/dbraw/zinc/83/44/05/455834405.db2.gz DTLLMMNYLFIIIE-LBPRGKRZSA-N 0 0 327.384 3.425 20 10 EGCDRN COc1c([O-])c(C[NH2+]C[C@@H](C)Oc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278481970 455838043 /nfs/dbraw/zinc/83/80/43/455838043.db2.gz JPMQSRSIQBOIRZ-CYBMUJFWSA-N 0 0 346.383 3.175 20 10 EGCDRN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278575068 455840488 /nfs/dbraw/zinc/84/04/88/455840488.db2.gz DJFZTLGNDITTOX-GFCCVEGCSA-N 0 0 346.383 3.477 20 10 EGCDRN Cc1cc(C(=O)NCc2nnc(C3CC3)o2)c(C)n1-c1ccccc1 ZINC000186909972 455849863 /nfs/dbraw/zinc/84/98/63/455849863.db2.gz FYEVOSXTYSRMRO-UHFFFAOYSA-N 0 0 336.395 3.285 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000278862910 455850735 /nfs/dbraw/zinc/85/07/35/455850735.db2.gz MAXRHKLPVYAOLN-JTQLQIEISA-N 0 0 347.327 3.068 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@H](C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000278893963 455851420 /nfs/dbraw/zinc/85/14/20/455851420.db2.gz QDWRSGGWPAWPTR-LLVKDONJSA-N 0 0 334.347 3.169 20 10 EGCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCC[C@@H](C)O ZINC000279219865 455860111 /nfs/dbraw/zinc/86/01/11/455860111.db2.gz YXOKBTKPPZBERH-LLVKDONJSA-N 0 0 329.238 3.348 20 10 EGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2nc(C)no2)c1O ZINC000285526486 455863933 /nfs/dbraw/zinc/86/39/33/455863933.db2.gz FDZNLEKSLYMOGV-AWEZNQCLSA-N 0 0 335.791 3.277 20 10 EGCDRN COc1ccc(N(C)C(=O)/C=C\c2c(C)nn(C)c2Cl)cc1F ZINC000255491066 455868360 /nfs/dbraw/zinc/86/83/60/455868360.db2.gz JYPZIPYVEGAKOI-VURMDHGXSA-N 0 0 337.782 3.206 20 10 EGCDRN CN(C[C@H]1CCS(=O)(=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000279703225 455870997 /nfs/dbraw/zinc/87/09/97/455870997.db2.gz JJBWBAHBDOICGP-QGZVFWFLSA-N 0 0 345.464 3.137 20 10 EGCDRN CCOC(=O)[C@H](NCc1cc(OCC)ccc1O)c1ccccc1 ZINC000194739945 455878287 /nfs/dbraw/zinc/87/82/87/455878287.db2.gz QHRMPKKNLCAVSC-GOSISDBHSA-N 0 0 329.396 3.185 20 10 EGCDRN CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c(O)c1 ZINC000270298377 455923166 /nfs/dbraw/zinc/92/31/66/455923166.db2.gz RBZABGLZYTVHLW-LJQANCHMSA-N 0 0 333.403 3.317 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(=O)NCc1ccccc1 ZINC000187671665 455937462 /nfs/dbraw/zinc/93/74/62/455937462.db2.gz SIROLXRHXLKLPK-NWDGAFQWSA-N 0 0 334.366 3.026 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187762774 455949657 /nfs/dbraw/zinc/94/96/57/455949657.db2.gz ICJDTHDKYZKVEE-IAQYHMDHSA-N 0 0 332.350 3.127 20 10 EGCDRN CC1CCN(c2ccc(CN3C(=O)N4CCC[C@@]4(C)C3=O)cc2)CC1 ZINC000272474568 455962992 /nfs/dbraw/zinc/96/29/92/455962992.db2.gz RCWBMRAWPSBTON-FQEVSTJZSA-N 0 0 341.455 3.240 20 10 EGCDRN CC[C@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000272487676 455968151 /nfs/dbraw/zinc/96/81/51/455968151.db2.gz RTBNOONSXOKPBD-APWZRJJASA-N 0 0 330.472 3.449 20 10 EGCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1O ZINC000272497049 455970784 /nfs/dbraw/zinc/97/07/84/455970784.db2.gz KZRJKRCYDMURBW-QGZVFWFLSA-N 0 0 341.407 3.228 20 10 EGCDRN CN(C(=O)c1cccc(O)c1O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000280436319 455971261 /nfs/dbraw/zinc/97/12/61/455971261.db2.gz JZWJXGMMSAOBOF-YOEHRIQHSA-N 0 0 345.370 3.229 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCC(=O)[C@@H]2C)cc1F ZINC000280529734 455991589 /nfs/dbraw/zinc/99/15/89/455991589.db2.gz NMXDGTLHRXJTPJ-UKRRQHHQSA-N 0 0 334.435 3.293 20 10 EGCDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000270698750 456016939 /nfs/dbraw/zinc/01/69/39/456016939.db2.gz ZOTIKPWBUXKTGJ-UKRRQHHQSA-N 0 0 348.406 3.340 20 10 EGCDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(O)c1O ZINC000188324528 456043926 /nfs/dbraw/zinc/04/39/26/456043926.db2.gz SRJOBNQJSVETLX-UHFFFAOYSA-N 0 0 342.395 3.044 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCC3(CCOCC3)CC2)cc1OC ZINC000286790451 456054097 /nfs/dbraw/zinc/05/40/97/456054097.db2.gz TXMQCMCSRALYLT-UHFFFAOYSA-N 0 0 336.388 3.009 20 10 EGCDRN C[C@@H]1C(=O)CC[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000280836692 456062789 /nfs/dbraw/zinc/06/27/89/456062789.db2.gz KHBKAVKSWLYGGU-HOCLYGCPSA-N 0 0 328.456 3.249 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272809601 456075921 /nfs/dbraw/zinc/07/59/21/456075921.db2.gz KYSXQCWSYGOIDR-LSDHHAIUSA-N 0 0 330.403 3.076 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1C ZINC000272875703 456097684 /nfs/dbraw/zinc/09/76/84/456097684.db2.gz XTWXQXRSTNSESP-SJORKVTESA-N 0 0 326.440 3.245 20 10 EGCDRN CC[C@@]1(C)CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CCO1 ZINC000188676394 456110398 /nfs/dbraw/zinc/11/03/98/456110398.db2.gz TYLOBAHRWIBTNY-IBGZPJMESA-N 0 0 327.428 3.130 20 10 EGCDRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000281028805 456114016 /nfs/dbraw/zinc/11/40/16/456114016.db2.gz MXRFYBPFDRXHGB-CZZOIHLYSA-N 0 0 339.391 3.182 20 10 EGCDRN CN1CCCc2cc(CN[C@H](c3nc[nH]n3)c3ccccc3)ccc21 ZINC000289319910 456121994 /nfs/dbraw/zinc/12/19/94/456121994.db2.gz UNOCUVALWSWCOO-IBGZPJMESA-N 0 0 333.439 3.066 20 10 EGCDRN CCCOc1ccc(/C=C/C(=O)NCc2ccc(N)cc2)cc1OC ZINC000297134113 456128456 /nfs/dbraw/zinc/12/84/56/456128456.db2.gz HOHHSQKFKLOUDS-YRNVUSSQSA-N 0 0 340.423 3.396 20 10 EGCDRN CC(C)(C)c1nccc(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000301523179 456136892 /nfs/dbraw/zinc/13/68/92/456136892.db2.gz MDKCHIHUWDIHMP-UHFFFAOYSA-N 0 0 344.434 3.362 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)NCCC(C)(C)CO)cc2)CC1 ZINC000297184584 456142961 /nfs/dbraw/zinc/14/29/61/456142961.db2.gz JUGSJIZWUVHSLM-UHFFFAOYSA-N 0 0 347.503 3.131 20 10 EGCDRN CCOc1ccc(O)c(CN(C)[C@@H](C(=O)OC)c2ccccc2)c1 ZINC000271179150 456158401 /nfs/dbraw/zinc/15/84/01/456158401.db2.gz 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/nfs/dbraw/zinc/17/72/25/1300177225.db2.gz DUXWISWXFCVDAO-AWEZNQCLSA-N 0 0 328.412 3.084 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@](C)(CO)C1CCCCC1 ZINC000756035713 1300429622 /nfs/dbraw/zinc/42/96/22/1300429622.db2.gz GIONHDNCHGEORF-FQEVSTJZSA-N 0 0 347.503 3.192 20 10 EGCDRN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756072345 1300434439 /nfs/dbraw/zinc/43/44/39/1300434439.db2.gz PXDXLJRAORGMEY-UWVGGRQHSA-N 0 0 330.375 3.234 20 10 EGCDRN C[C@H]([NH2+]CCCn1ccnc1)c1cc(Br)c(F)cc1[O-] ZINC000756340291 1300470699 /nfs/dbraw/zinc/47/06/99/1300470699.db2.gz DWSMYFDOINGRIN-JTQLQIEISA-N 0 0 342.212 3.231 20 10 EGCDRN COc1ccc(OC)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756371374 1300478024 /nfs/dbraw/zinc/47/80/24/1300478024.db2.gz ZGDNNQGKSURCQT-LLVKDONJSA-N 0 0 332.356 3.168 20 10 EGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Br)cc(F)c1[O-] ZINC000756380335 1300480587 /nfs/dbraw/zinc/48/05/87/1300480587.db2.gz HNRYACKCPLLXPX-PELKAZGASA-N 0 0 344.180 3.271 20 10 EGCDRN COCc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000756382352 1300481004 /nfs/dbraw/zinc/48/10/04/1300481004.db2.gz BVRSTXBUBHXESB-ZDUSSCGKSA-N 0 0 329.396 3.176 20 10 EGCDRN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756389590 1300481376 /nfs/dbraw/zinc/48/13/76/1300481376.db2.gz DPWFBLSBJHMIKL-NSHDSACASA-N 0 0 330.338 3.102 20 10 EGCDRN C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756405169 1300484449 /nfs/dbraw/zinc/48/44/49/1300484449.db2.gz XQPXKVYOOULSOB-NXEZZACHSA-N 0 0 342.212 3.230 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000756410325 1300485598 /nfs/dbraw/zinc/48/55/98/1300485598.db2.gz GSKGRQUOJBEUDO-ZNMIVQPWSA-N 0 0 334.460 3.092 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2c(F)cccc2F)c1 ZINC000756421914 1300486764 /nfs/dbraw/zinc/48/67/64/1300486764.db2.gz JVIIHGOXGWWTAU-LLVKDONJSA-N 0 0 335.350 3.350 20 10 EGCDRN C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Br)c(F)cc1[O-] ZINC000756432144 1300490571 /nfs/dbraw/zinc/49/05/71/1300490571.db2.gz HUDZNDZNQKNJHP-LKFCYVNXSA-N 0 0 345.256 3.285 20 10 EGCDRN COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])ccc1OCCO ZINC000756457675 1300496289 /nfs/dbraw/zinc/49/62/89/1300496289.db2.gz JWEFZTGPKPFICD-OLZOCXBDSA-N 0 0 349.402 3.323 20 10 EGCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756458980 1300497922 /nfs/dbraw/zinc/49/79/22/1300497922.db2.gz VTLHBIADHDYAEO-STQMWFEESA-N 0 0 328.368 3.202 20 10 EGCDRN C[C@@H]([NH2+]CCN1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756482912 1300503827 /nfs/dbraw/zinc/50/38/27/1300503827.db2.gz KXSFLIUSNPSZQT-CQSZACIVSA-N 0 0 341.411 3.404 20 10 EGCDRN COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C2 ZINC000756538621 1300517158 /nfs/dbraw/zinc/51/71/58/1300517158.db2.gz CXHIXWQSELOWQP-ZWNOBZJWSA-N 0 0 335.350 3.333 20 10 EGCDRN CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756573437 1300524339 /nfs/dbraw/zinc/52/43/39/1300524339.db2.gz AZWAMWLTNZAMIM-YMTOWFKASA-N 0 0 334.229 3.496 20 10 EGCDRN C[C@@H]([NH2+]CC1(O)CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756572576 1300524396 /nfs/dbraw/zinc/52/43/96/1300524396.db2.gz GVCQLWYDNVWHST-SECBINFHSA-N 0 0 332.213 3.250 20 10 EGCDRN C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)cc(F)c1[O-] ZINC000756584901 1300527199 /nfs/dbraw/zinc/52/71/99/1300527199.db2.gz HOTYWHUKPQSPKL-BXUZGUMPSA-N 0 0 346.377 3.406 20 10 EGCDRN CN(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000756646160 1300539690 /nfs/dbraw/zinc/53/96/90/1300539690.db2.gz RGGAHMKFJCAREP-UHFFFAOYSA-N 0 0 336.750 3.283 20 10 EGCDRN Cc1ccc([C@H](C)NC(=O)CN(C)c2ccc3c(c2)OCO3)cc1C ZINC000756654087 1300542574 /nfs/dbraw/zinc/54/25/74/1300542574.db2.gz CTUMIXMNXAJYHX-HNNXBMFYSA-N 0 0 340.423 3.346 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000756661354 1300543897 /nfs/dbraw/zinc/54/38/97/1300543897.db2.gz RAPAVTMUPHBXKD-GUYCJALGSA-N 0 0 335.444 3.161 20 10 EGCDRN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756775322 1300564253 /nfs/dbraw/zinc/56/42/53/1300564253.db2.gz OZJRMKDUGPNNOG-UISBYWKRSA-N 0 0 331.243 3.264 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756779142 1300565363 /nfs/dbraw/zinc/56/53/63/1300565363.db2.gz QIRNEIWXRABJFK-ZEQHWRKHSA-N 0 0 340.470 3.331 20 10 EGCDRN COC(=O)CN(CCCOC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000756859984 1300580352 /nfs/dbraw/zinc/58/03/52/1300580352.db2.gz HMBPJKGHWNXLLJ-UHFFFAOYSA-N 0 0 343.851 3.226 20 10 EGCDRN CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)O1 ZINC000756932103 1300592351 /nfs/dbraw/zinc/59/23/51/1300592351.db2.gz AZXLCPSIVLGEKI-RTBURBONSA-N 0 0 330.472 3.497 20 10 EGCDRN CC[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)O1 ZINC000756932101 1300592431 /nfs/dbraw/zinc/59/24/31/1300592431.db2.gz AZXLCPSIVLGEKI-OALUTQOASA-N 0 0 330.472 3.497 20 10 EGCDRN CN1Cc2ccccc2[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000756995108 1300608173 /nfs/dbraw/zinc/60/81/73/1300608173.db2.gz JMMCLAJJHASBGV-INIZCTEOSA-N 0 0 347.256 3.431 20 10 EGCDRN CNC(=O)COc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000757595484 1300690109 /nfs/dbraw/zinc/69/01/09/1300690109.db2.gz UYRZZQFAYYRSHH-IAQYHMDHSA-N 0 0 344.386 3.317 20 10 EGCDRN C[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)cc(F)c1[O-] ZINC000757698803 1300714057 /nfs/dbraw/zinc/71/40/57/1300714057.db2.gz RTSXOXPTDYGJRF-QMMMGPOBSA-N 0 0 348.212 3.096 20 10 EGCDRN COc1ccc(N(C)C[C@H](O)COc2cc(C)ccc2C)cc1F ZINC000757851147 1300746881 /nfs/dbraw/zinc/74/68/81/1300746881.db2.gz CUQBDUVDBCPVLO-INIZCTEOSA-N 0 0 333.403 3.327 20 10 EGCDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc(O)c2O)c(C)c1 ZINC000758557921 1300910860 /nfs/dbraw/zinc/91/08/60/1300910860.db2.gz LIRFVHXMCMXAJH-ZDUSSCGKSA-N 0 0 343.379 3.207 20 10 EGCDRN CCCc1nc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)co1 ZINC000758805804 1300956242 /nfs/dbraw/zinc/95/62/42/1300956242.db2.gz KTLLGRZPULWIGN-UHFFFAOYSA-N 0 0 343.427 3.035 20 10 EGCDRN CCNc1nc(C)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000759240693 1301048179 /nfs/dbraw/zinc/04/81/79/1301048179.db2.gz NWDDPGLNWQLXIJ-VIFPVBQESA-N 0 0 335.429 3.089 20 10 EGCDRN COc1ccnc(N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1 ZINC000759696635 1301143732 /nfs/dbraw/zinc/14/37/32/1301143732.db2.gz KQYQKVVHOCZXHM-UHFFFAOYSA-N 0 0 338.411 3.351 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[C@H]2CCOC2)cc1 ZINC000759726973 1301150914 /nfs/dbraw/zinc/15/09/14/1301150914.db2.gz IPTWZRQLLVXWCB-NVXWUHKLSA-N 0 0 333.476 3.147 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(O)cc2)cc1F ZINC000760124695 1301224115 /nfs/dbraw/zinc/22/41/15/1301224115.db2.gz HYVQXQWGCVEPBE-UHFFFAOYSA-N 0 0 330.403 3.236 20 10 EGCDRN C[C@H]1C(=O)N(Cc2ccc(N(C)C3CCCCC3)cc2)C(=O)N1C ZINC000761179222 1301414293 /nfs/dbraw/zinc/41/42/93/1301414293.db2.gz OPBXWLWPTPWVDW-AWEZNQCLSA-N 0 0 329.444 3.238 20 10 EGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000761176681 1301414665 /nfs/dbraw/zinc/41/46/65/1301414665.db2.gz KMRYTPFMSYZDDY-HNNXBMFYSA-N 0 0 330.453 3.190 20 10 EGCDRN CCCN1C(=O)N(Cc2ccc3c(c2)CCCN3C)C(=O)[C@H]1CC ZINC000761176321 1301415066 /nfs/dbraw/zinc/41/50/66/1301415066.db2.gz GGRSAWVDFGZSBL-MRXNPFEDSA-N 0 0 329.444 3.022 20 10 EGCDRN Cn1cc(CNc2ccc(Cl)cc2C(=O)c2ccccc2)nn1 ZINC000761205343 1301420241 /nfs/dbraw/zinc/42/02/41/1301420241.db2.gz KQJMIBLUSFOAKP-UHFFFAOYSA-N 0 0 326.787 3.312 20 10 EGCDRN COc1ccc(N(C)Cc2c(C)nc3sc(C)nn23)cc1OC ZINC000761219832 1301422806 /nfs/dbraw/zinc/42/28/06/1301422806.db2.gz CLYAETSWAAZPFK-UHFFFAOYSA-N 0 0 332.429 3.061 20 10 EGCDRN C[C@]1(c2ccccc2)NC(=O)N(CCCSc2nccs2)C1=O ZINC000761302925 1301438974 /nfs/dbraw/zinc/43/89/74/1301438974.db2.gz YDPBSTBOCPANGC-MRXNPFEDSA-N 0 0 347.465 3.093 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1=Cc2cc(F)ccc2OC1 ZINC000761459073 1301472390 /nfs/dbraw/zinc/47/23/90/1301472390.db2.gz ZVZYQQQSNKBMLU-UHFFFAOYSA-N 0 0 340.398 3.292 20 10 EGCDRN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCOc2cc(N(C)C)ccc21 ZINC000762340236 1301661969 /nfs/dbraw/zinc/66/19/69/1301661969.db2.gz ACKUWNCLQOBNPD-INMHGKMJSA-N 0 0 345.487 3.035 20 10 EGCDRN COc1ccc(N2CCC(Nc3ccnc(F)c3[N+](=O)[O-])CC2)cc1 ZINC000881906588 1301753257 /nfs/dbraw/zinc/75/32/57/1301753257.db2.gz UWTFFGOMPZBTMI-UHFFFAOYSA-N 0 0 346.362 3.218 20 10 EGCDRN CC(C)C[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000764799147 1302138215 /nfs/dbraw/zinc/13/82/15/1302138215.db2.gz HXTUOQPZRDSHRM-SNVBAGLBSA-N 0 0 329.238 3.389 20 10 EGCDRN CN(c1ccc(CNC(=O)[C@H](O)C(C)(C)C)cc1)C1CCCCC1 ZINC000764894943 1302160452 /nfs/dbraw/zinc/16/04/52/1302160452.db2.gz NUTZSTIZTYHRDR-SFHVURJKSA-N 0 0 332.488 3.479 20 10 EGCDRN CC(C)c1ccc(N(C)S(=O)(=O)c2cccc3nonc32)cc1 ZINC000765101799 1302204315 /nfs/dbraw/zinc/20/43/15/1302204315.db2.gz PHACGWOFPAABJJ-UHFFFAOYSA-N 0 0 331.397 3.171 20 10 EGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])[C@H]2CCO[C@@H]21 ZINC000883016681 1302205167 /nfs/dbraw/zinc/20/51/67/1302205167.db2.gz IFMXTSYOJXLMAN-HONMWMINSA-N 0 0 344.224 3.197 20 10 EGCDRN Cn1cc(C(C)(C)[NH2+]Cc2cc(Br)cc(F)c2[O-])cn1 ZINC000883017958 1302207168 /nfs/dbraw/zinc/20/71/68/1302207168.db2.gz IPWPBXLKDCZBCC-UHFFFAOYSA-N 0 0 342.212 3.052 20 10 EGCDRN Cc1cc(C(=O)N(CCCO)C2CC2)c(C)n1-c1cccc(C)c1 ZINC000765235235 1302225283 /nfs/dbraw/zinc/22/52/83/1302225283.db2.gz NZAOQDYMYBDOJP-UHFFFAOYSA-N 0 0 326.440 3.390 20 10 EGCDRN Cc1cc(NC(=O)NCc2cccc(Br)c2O)sn1 ZINC000765296884 1302240805 /nfs/dbraw/zinc/24/08/05/1302240805.db2.gz IAKSQIYQMHDACY-UHFFFAOYSA-N 0 0 342.218 3.241 20 10 EGCDRN CSc1ccc(C(=O)NCc2cccc(Br)c2O)o1 ZINC000765751130 1302319475 /nfs/dbraw/zinc/31/94/75/1302319475.db2.gz PEJQGPXFOCVDFQ-UHFFFAOYSA-N 0 0 342.214 3.400 20 10 EGCDRN COc1ccc2c(c1)CCCCN2C[C@H](O)COCc1cccs1 ZINC000766270157 1302418745 /nfs/dbraw/zinc/41/87/45/1302418745.db2.gz QWJGOHDSRHAIRZ-INIZCTEOSA-N 0 0 347.480 3.477 20 10 EGCDRN Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ns1 ZINC000766404549 1302445542 /nfs/dbraw/zinc/44/55/42/1302445542.db2.gz KAMKGBWMEYEBBO-UHFFFAOYSA-N 0 0 348.383 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CCC(CC)[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)CCO1 ZINC000841874486 1321325986 /nfs/dbraw/zinc/32/59/86/1321325986.db2.gz NBDVCDDWKGRENF-ROUUACIJSA-N 0 0 333.476 3.094 20 10 EGCDRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)NCCc2ccc(N)cc2)c1 ZINC000841893201 1321327832 /nfs/dbraw/zinc/32/78/32/1321327832.db2.gz GQBZFTCBRMRSQU-RBUKOAKNSA-N 0 0 339.439 3.065 20 10 EGCDRN Nc1ccc(CCNC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000841954435 1321331593 /nfs/dbraw/zinc/33/15/93/1321331593.db2.gz MNIBBWLUUIUMSJ-UHFFFAOYSA-N 0 0 329.831 3.453 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000841954738 1321331656 /nfs/dbraw/zinc/33/16/56/1321331656.db2.gz OTIOSKBLBYBAEI-GOSISDBHSA-N 0 0 341.480 3.311 20 10 EGCDRN CC[C@H](CNc1ccccc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841956105 1321331755 /nfs/dbraw/zinc/33/17/55/1321331755.db2.gz VHEAWQYTFIWURB-QGZVFWFLSA-N 0 0 326.444 3.001 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000841960449 1321332159 /nfs/dbraw/zinc/33/21/59/1321332159.db2.gz 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ZINC000844353221 1321592987 /nfs/dbraw/zinc/59/29/87/1321592987.db2.gz REJZUYBGRWCKCY-UHFFFAOYSA-N 0 0 339.439 3.370 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000844366197 1321594834 /nfs/dbraw/zinc/59/48/34/1321594834.db2.gz LKRZPUJUMVITOO-RBUKOAKNSA-N 0 0 328.456 3.216 20 10 EGCDRN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1ccc(N(C)C)cc1 ZINC000844485409 1321611427 /nfs/dbraw/zinc/61/14/27/1321611427.db2.gz PALYOYHBMBMOCF-ZMYBRWDISA-N 0 0 339.439 3.103 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@H](C)CC3)C2)cc1 ZINC000844601908 1321625240 /nfs/dbraw/zinc/62/52/40/1321625240.db2.gz HXHJPTQKCINTKZ-BRWVUGGUSA-N 0 0 330.472 3.464 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)NCc2ccccc2F)cc1 ZINC000844777061 1321645914 /nfs/dbraw/zinc/64/59/14/1321645914.db2.gz DEGZUTGJCCSXKL-UHFFFAOYSA-N 0 0 345.418 3.112 20 10 EGCDRN Nc1ccc(Cc2noc([C@@H](C[C@H]3CCCO3)C(F)(F)F)n2)cc1 ZINC000844907227 1321656575 /nfs/dbraw/zinc/65/65/75/1321656575.db2.gz XRKHAYWNXYFQNW-CHWSQXEVSA-N 0 0 341.333 3.458 20 10 EGCDRN CC(C)n1cc([C@@H](C)NC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000844973246 1321664776 /nfs/dbraw/zinc/66/47/76/1321664776.db2.gz MWSIRDBOYPSYJQ-LLVKDONJSA-N 0 0 336.823 3.383 20 10 EGCDRN CC(C)O[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000845004200 1321667706 /nfs/dbraw/zinc/66/77/06/1321667706.db2.gz XKVSFQMGNLMNLS-LJQANCHMSA-N 0 0 343.471 3.162 20 10 EGCDRN CCO[C@@H](CCNC(=O)NCc1cc(Cl)ccc1O)C(C)C ZINC000845018957 1321668985 /nfs/dbraw/zinc/66/89/85/1321668985.db2.gz CMYFRCOGEHNLCR-HNNXBMFYSA-N 0 0 328.840 3.296 20 10 EGCDRN CO[C@@](C)(CNC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000845229959 1321686964 /nfs/dbraw/zinc/68/69/64/1321686964.db2.gz DQBBQCWMILVQIR-SFHVURJKSA-N 0 0 348.830 3.407 20 10 EGCDRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845260183 1321689557 /nfs/dbraw/zinc/68/95/57/1321689557.db2.gz RQXZSWBQJCRMAI-WBVHZDCISA-N 0 0 346.814 3.157 20 10 EGCDRN COc1ccc(CS(C)(=O)=O)cc1NCc1cccc2c1CCC2 ZINC000845973566 1321760917 /nfs/dbraw/zinc/76/09/17/1321760917.db2.gz ZOWZGQOZTGCBQW-UHFFFAOYSA-N 0 0 345.464 3.341 20 10 EGCDRN CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)[C@H](C)CO1 ZINC000846045378 1321764697 /nfs/dbraw/zinc/76/46/97/1321764697.db2.gz WTDXTQKQCXEJFJ-ZWNOBZJWSA-N 0 0 344.249 3.163 20 10 EGCDRN COc1cccc([C@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1O ZINC000846159447 1321773068 /nfs/dbraw/zinc/77/30/68/1321773068.db2.gz OMPFYNQXBXEALX-WDEREUQCSA-N 0 0 328.368 3.293 20 10 EGCDRN C[C@H]([NH2+][C@@H](CO)CCF)c1cc(Br)cc(Cl)c1[O-] ZINC000846209403 1321776239 /nfs/dbraw/zinc/77/62/39/1321776239.db2.gz RAZPVWOYZVXGJS-IONNQARKSA-N 0 0 340.620 3.179 20 10 EGCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000846280571 1321781847 /nfs/dbraw/zinc/78/18/47/1321781847.db2.gz NEFMGOMTTISAKC-OAQYLSRUSA-N 0 0 338.451 3.371 20 10 EGCDRN Cc1ccc(N(CC(C)C)C(=O)c2ccoc2CC(N)=O)c(C)c1 ZINC000846298129 1321783206 /nfs/dbraw/zinc/78/32/06/1321783206.db2.gz ANYZHCIYMTUWRD-UHFFFAOYSA-N 0 0 328.412 3.227 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C\c2cccc(O)c2)cc1 ZINC000846442564 1321786608 /nfs/dbraw/zinc/78/66/08/1321786608.db2.gz SWALOXKWRLUOQV-GHXNOFRVSA-N 0 0 340.423 3.009 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC23CCSCC3)cc1 ZINC000846448249 1321786968 /nfs/dbraw/zinc/78/69/68/1321786968.db2.gz WXXQAWOXLNDHAY-KRWDZBQOSA-N 0 0 348.512 3.123 20 10 EGCDRN C[C@@H](COCC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000846477221 1321788349 /nfs/dbraw/zinc/78/83/49/1321788349.db2.gz QWISHKSSBYGSFA-ZDUSSCGKSA-N 0 0 333.815 3.482 20 10 EGCDRN CCNc1nc(C)c(C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000846660412 1321799077 /nfs/dbraw/zinc/79/90/77/1321799077.db2.gz FBPXIVVQVCPXOV-UHFFFAOYSA-N 0 0 325.821 3.172 20 10 EGCDRN CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccc(F)cc1 ZINC000859418399 1328984521 /nfs/dbraw/zinc/98/45/21/1328984521.db2.gz CCMCEUWLVJOTKP-GOSISDBHSA-N 0 0 330.403 3.204 20 10 EGCDRN COc1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000847474226 1321873911 /nfs/dbraw/zinc/87/39/11/1321873911.db2.gz HWQSPGUCCWCLTE-UHFFFAOYSA-N 0 0 328.412 3.455 20 10 EGCDRN O=C(NCCCSc1nccs1)c1ccc(C(F)F)nc1 ZINC000847487931 1321874254 /nfs/dbraw/zinc/87/42/54/1321874254.db2.gz OGWDLPWYIZYYQI-UHFFFAOYSA-N 0 0 329.397 3.388 20 10 EGCDRN CCc1csc(CC2CCN(C(=O)c3cccc(O)c3O)CC2)n1 ZINC000848300095 1321949171 /nfs/dbraw/zinc/94/91/71/1321949171.db2.gz WHAMRFOTZCSNFT-UHFFFAOYSA-N 0 0 346.452 3.212 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1[O-] ZINC000848574382 1321978890 /nfs/dbraw/zinc/97/88/90/1321978890.db2.gz DIMDUSYUINTPHC-KGLIPLIRSA-N 0 0 339.823 3.060 20 10 EGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848574191 1321979230 /nfs/dbraw/zinc/97/92/30/1321979230.db2.gz BJEXOPPFIWBBRR-CABCVRRESA-N 0 0 339.277 3.261 20 10 EGCDRN COc1cncc(/C=C2\SC(=S)N(CCCSC)C2=O)c1 ZINC000849173070 1322093998 /nfs/dbraw/zinc/09/39/98/1322093998.db2.gz BSEZHSCVDIYNKW-GHXNOFRVSA-N 0 0 340.495 3.045 20 10 EGCDRN CN(C)c1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000920252721 1322155414 /nfs/dbraw/zinc/15/54/14/1322155414.db2.gz NSSIQRQJDPLTGI-UHFFFAOYSA-N 0 0 332.407 3.140 20 10 EGCDRN C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000920439142 1322178082 /nfs/dbraw/zinc/17/80/82/1322178082.db2.gz KKBXUHYDFFEIPG-WMZOPIPTSA-N 0 0 330.472 3.356 20 10 EGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000850350972 1322232038 /nfs/dbraw/zinc/23/20/38/1322232038.db2.gz JKAHZFWTZANUFU-CYBMUJFWSA-N 0 0 341.293 3.426 20 10 EGCDRN CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000921060946 1322250379 /nfs/dbraw/zinc/25/03/79/1322250379.db2.gz GCDJWCRNEAFAQW-GDBMZVCRSA-N 0 0 334.460 3.225 20 10 EGCDRN COc1cccc(OC)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850505670 1322258426 /nfs/dbraw/zinc/25/84/26/1322258426.db2.gz VICXELZGHIHOOA-NSHDSACASA-N 0 0 332.356 3.168 20 10 EGCDRN COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(OC)c1 ZINC000850515448 1322259902 /nfs/dbraw/zinc/25/99/02/1322259902.db2.gz XZCJZPUNIRLDJF-PXAZEXFGSA-N 0 0 346.383 3.347 20 10 EGCDRN C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000850580962 1322272889 /nfs/dbraw/zinc/27/28/89/1322272889.db2.gz SIYWMKXKYOXVMB-WJWGPLDTSA-N 0 0 347.283 3.472 20 10 EGCDRN Fc1cc(C[NH2+][C@@H](c2ccccn2)C2CC2)ccc1N1CCOCC1 ZINC000922585899 1322563956 /nfs/dbraw/zinc/56/39/56/1322563956.db2.gz IQJXHHKVRNSDDS-HXUWFJFHSA-N 0 0 341.430 3.298 20 10 EGCDRN COc1ccc(N2CCCN(CC(F)(F)Br)CC2)cc1 ZINC000851733338 1323075296 /nfs/dbraw/zinc/07/52/96/1323075296.db2.gz RTBAZXMSXZBYMK-UHFFFAOYSA-N 0 0 349.219 3.195 20 10 EGCDRN CC(C)C(C)(C)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852273317 1323172019 /nfs/dbraw/zinc/17/20/19/1323172019.db2.gz WMTRJAMFKFFFSW-UHFFFAOYSA-N 0 0 347.503 3.129 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCc1ccoc1 ZINC000852385275 1323186631 /nfs/dbraw/zinc/18/66/31/1323186631.db2.gz MXLDGOQABIHPNH-OAHLLOKOSA-N 0 0 329.444 3.127 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCC2(CSC)CC2)c1 ZINC000852502361 1323199339 /nfs/dbraw/zinc/19/93/39/1323199339.db2.gz CTKGWNVRGWXOMK-GFCCVEGCSA-N 0 0 338.473 3.294 20 10 EGCDRN CSCC1(CCNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000852504040 1323200452 /nfs/dbraw/zinc/20/04/52/1323200452.db2.gz WNJSJURJCYUWBT-UHFFFAOYSA-N 0 0 328.865 3.378 20 10 EGCDRN CC[C@@H](O)CCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC000860145501 1329158628 /nfs/dbraw/zinc/15/86/28/1329158628.db2.gz HZTCPASQLIRTMX-GOSISDBHSA-N 0 0 342.439 3.106 20 10 EGCDRN CN(C)c1ccc(CNc2ccc(OCC(F)(F)F)nn2)cc1F ZINC000853239566 1325070141 /nfs/dbraw/zinc/07/01/41/1325070141.db2.gz ATZWOQPRZJJTJO-UHFFFAOYSA-N 0 0 344.312 3.235 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000853244605 1325072045 /nfs/dbraw/zinc/07/20/45/1325072045.db2.gz OXRSGKQLGKNFBN-IEBWSBKVSA-N 0 0 345.487 3.243 20 10 EGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H](c1ccccn1)C1CC1 ZINC000925566586 1325213150 /nfs/dbraw/zinc/21/31/50/1325213150.db2.gz JLGDDKKKNZYKSD-INIZCTEOSA-N 0 0 331.803 3.391 20 10 EGCDRN 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0 0 349.381 3.271 20 10 EGCDRN Cc1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)on1 ZINC000266859604 455464280 /nfs/dbraw/zinc/46/42/80/455464280.db2.gz RYCVSWQHRQLKFP-UHFFFAOYSA-N 0 0 330.432 3.169 20 10 EGCDRN Cc1cc(C(=O)N2CCS[C@@H](C)CC2)c(C)n1-c1ccccn1 ZINC000191355557 455479028 /nfs/dbraw/zinc/47/90/28/455479028.db2.gz XZMAPOBDDRIOHW-AWEZNQCLSA-N 0 0 329.469 3.457 20 10 EGCDRN Cc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)c(O)c1O ZINC000182309325 455486223 /nfs/dbraw/zinc/48/62/23/455486223.db2.gz WTLGUDWDENAWID-UHFFFAOYSA-N 0 0 330.359 3.398 20 10 EGCDRN COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1O ZINC000175929003 455517423 /nfs/dbraw/zinc/51/74/23/455517423.db2.gz JTOVCGLZIOSSNS-OLZOCXBDSA-N 0 0 333.334 3.099 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161101287 455533372 /nfs/dbraw/zinc/53/33/72/455533372.db2.gz SAZMYUVAGQSEDE-NXHRZFHOSA-N 0 0 344.455 3.271 20 10 EGCDRN Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)c(O)c1O ZINC000182531718 455534702 /nfs/dbraw/zinc/53/47/02/455534702.db2.gz CDJZDXYYMVXEAL-CJNGLKHVSA-N 0 0 327.380 3.008 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cc2F)C[C@@H](C)O1 ZINC000267370757 455548528 /nfs/dbraw/zinc/54/85/28/455548528.db2.gz ROPOPCLUDRZQFZ-ZQRXOBFBSA-N 0 0 346.446 3.102 20 10 EGCDRN C[C@H](Sc1ccccn1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000267861314 455557422 /nfs/dbraw/zinc/55/74/22/455557422.db2.gz AMMQVLYUUDIPAZ-AWEZNQCLSA-N 0 0 329.469 3.287 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCOCC2CC2)cc1 ZINC000267976199 455573239 /nfs/dbraw/zinc/57/32/39/455573239.db2.gz NGTAFCGAANEROA-UHFFFAOYSA-N 0 0 333.476 3.101 20 10 EGCDRN CCC[C@@H]1C[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268023701 455581432 /nfs/dbraw/zinc/58/14/32/455581432.db2.gz LMMLEJGVMWPNCX-DJIMGWMZSA-N 0 0 332.444 3.271 20 10 EGCDRN CCCc1nc(C(=O)NCc2cccc(Br)c2O)co1 ZINC000277569086 455601717 /nfs/dbraw/zinc/60/17/17/455601717.db2.gz QGYZRYDCNSPRFK-UHFFFAOYSA-N 0 0 339.189 3.025 20 10 EGCDRN C[C@@H]([NH2+]CCCN1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192591583 455648608 /nfs/dbraw/zinc/64/86/08/455648608.db2.gz SDTLSQXBZQXYMT-LLVKDONJSA-N 0 0 333.259 3.072 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCO[C@@H](C)C3)c2C)cc1 ZINC000271476806 455651561 /nfs/dbraw/zinc/65/15/61/455651561.db2.gz VRWUASTYNHPSKB-GOEBONIOSA-N 0 0 342.439 3.400 20 10 EGCDRN CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186030469 455680095 /nfs/dbraw/zinc/68/00/95/455680095.db2.gz ZYSPWJOYDMNNBK-DTWKUNHWSA-N 0 0 340.272 3.173 20 10 EGCDRN CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000271560552 455684933 /nfs/dbraw/zinc/68/49/33/455684933.db2.gz SAWPLOWIWRLNED-GXTWGEPZSA-N 0 0 328.796 3.247 20 10 EGCDRN C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(F)cc1[O-] ZINC000186060941 455686285 /nfs/dbraw/zinc/68/62/85/455686285.db2.gz LGLJKGCYXIYZCS-LLVKDONJSA-N 0 0 331.366 3.450 20 10 EGCDRN CC(=O)N(Cc1ccc(NC(=O)c2cccc(O)c2O)cc1)C(C)C ZINC000193075062 455740063 /nfs/dbraw/zinc/74/00/63/455740063.db2.gz SIXLBKQDXQGGTB-UHFFFAOYSA-N 0 0 342.395 3.107 20 10 EGCDRN Cc1ccc(OC2CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000193075008 455740728 /nfs/dbraw/zinc/74/07/28/455740728.db2.gz DAKKCEAEKAGXBD-UHFFFAOYSA-N 0 0 327.380 3.090 20 10 EGCDRN COc1ccc(N(CCC(C)C)C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000284824060 455747272 /nfs/dbraw/zinc/74/72/72/455747272.db2.gz QASABVXMNVLOHH-INIZCTEOSA-N 0 0 339.501 3.373 20 10 EGCDRN CCn1ncnc1CN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000193430442 455758248 /nfs/dbraw/zinc/75/82/48/455758248.db2.gz GFIYVNUWXLGRGD-UHFFFAOYSA-N 0 0 330.363 3.246 20 10 EGCDRN CCC(CC)n1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000186398726 455760462 /nfs/dbraw/zinc/76/04/62/455760462.db2.gz ONTOFUKWLTUUAI-LBPRGKRZSA-N 0 0 345.443 3.325 20 10 EGCDRN COc1cccc(C(=O)CCCC(=O)N(C)Cc2ccccc2O)c1 ZINC000293248402 455778866 /nfs/dbraw/zinc/77/88/66/455778866.db2.gz FCWUTERXEMJCBJ-UHFFFAOYSA-N 0 0 341.407 3.412 20 10 EGCDRN Cc1nc(Cl)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000194014745 455791596 /nfs/dbraw/zinc/79/15/96/455791596.db2.gz LUBMFQXUEYIKNA-VIFPVBQESA-N 0 0 335.791 3.207 20 10 EGCDRN C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000293760454 455796881 /nfs/dbraw/zinc/79/68/81/455796881.db2.gz REMLHUHEDZQTJV-VIFPVBQESA-N 0 0 329.231 3.111 20 10 EGCDRN COc1cccc(CNC(=O)CCOc2c(C)cccc2C)c1O ZINC000269213246 455813213 /nfs/dbraw/zinc/81/32/13/455813213.db2.gz XEMCMZJZGGTOIB-UHFFFAOYSA-N 0 0 329.396 3.103 20 10 EGCDRN C[C@@H](OCCc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000294477720 455817333 /nfs/dbraw/zinc/81/73/33/455817333.db2.gz QOBUXZDNXOURNQ-MRXNPFEDSA-N 0 0 326.440 3.017 20 10 EGCDRN CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000294632800 455821465 /nfs/dbraw/zinc/82/14/65/455821465.db2.gz ULLXOKUGMMEJPE-HKUYNNGSSA-N 0 0 330.472 3.356 20 10 EGCDRN CN(C(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1)c1cccnc1 ZINC000294700973 455823619 /nfs/dbraw/zinc/82/36/19/455823619.db2.gz JAQLPGCVHMRRGJ-UHFFFAOYSA-N 0 0 331.416 3.002 20 10 EGCDRN CCCOc1ccc(CN2CC(C)(C)[C@H]2c2nccn2C)c(O)c1 ZINC000294723733 455824921 /nfs/dbraw/zinc/82/49/21/455824921.db2.gz FQSNNGYVZUFHLM-QGZVFWFLSA-N 0 0 329.444 3.498 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@H](O)CC2)c(C)n1-c1ccccc1C ZINC000294833475 455829738 /nfs/dbraw/zinc/82/97/38/455829738.db2.gz MQDMWYVKRTWHBR-KRWDZBQOSA-N 0 0 326.440 3.390 20 10 EGCDRN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](CO)c1ccccc1 ZINC000295132797 455839589 /nfs/dbraw/zinc/83/95/89/455839589.db2.gz YIQLWOUWIMLOOF-OAHLLOKOSA-N 0 0 336.775 3.119 20 10 EGCDRN CC[C@@H](C)c1ccccc1OCC(=O)NCCc1ccc(O)c(O)c1 ZINC000269419802 455847281 /nfs/dbraw/zinc/84/72/81/455847281.db2.gz DCGCHHWFCCHLGW-CQSZACIVSA-N 0 0 343.423 3.349 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(CO)CC1 ZINC000269445838 455848080 /nfs/dbraw/zinc/84/80/80/455848080.db2.gz BOEYJHVYTDEBTH-UHFFFAOYSA-N 0 0 326.440 3.247 20 10 EGCDRN CCNC(=O)Nc1cccc(NCc2cccc(OC)c2O)c1C ZINC000278780636 455848438 /nfs/dbraw/zinc/84/84/38/455848438.db2.gz ZDPASKRIIPDXJV-UHFFFAOYSA-N 0 0 329.400 3.463 20 10 EGCDRN COc1cccc(C(C)(C)CNC(=O)NCc2ccccc2O)c1 ZINC000269715808 455852164 /nfs/dbraw/zinc/85/21/64/455852164.db2.gz DTNARORDBUYQNM-UHFFFAOYSA-N 0 0 328.412 3.178 20 10 EGCDRN CCOC(=O)NCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000269737044 455852879 /nfs/dbraw/zinc/85/28/79/455852879.db2.gz YGNYDRHPCKUTNH-UHFFFAOYSA-N 0 0 349.475 3.016 20 10 EGCDRN CCOCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278905951 455853059 /nfs/dbraw/zinc/85/30/59/455853059.db2.gz RVBSPQVXAHJRSF-UHFFFAOYSA-N 0 0 346.383 3.135 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCCC3(CCOCC3)C2)cc1OC ZINC000278900648 455853135 /nfs/dbraw/zinc/85/31/35/455853135.db2.gz YMLUOVNNFPUNGI-UHFFFAOYSA-N 0 0 336.388 3.009 20 10 EGCDRN COC1CCN(c2ccc(CN(C)Cc3cscn3)cc2)CC1 ZINC000295550075 455853307 /nfs/dbraw/zinc/85/33/07/455853307.db2.gz PFXVSEFXIPKZLK-UHFFFAOYSA-N 0 0 331.485 3.390 20 10 EGCDRN CN(c1ccc(CNC(=O)c2cccc(=O)[nH]2)cc1)C1CCCCC1 ZINC000278925980 455853632 /nfs/dbraw/zinc/85/36/32/455853632.db2.gz SHVRZQYXBPMMGC-UHFFFAOYSA-N 0 0 339.439 3.486 20 10 EGCDRN O=C(/C=C\c1cnc2ccccc2n1)N1CCSc2ncccc21 ZINC000255069681 455858786 /nfs/dbraw/zinc/85/87/86/455858786.db2.gz CLJDIFGOJSDDDW-FPLPWBNLSA-N 0 0 334.404 3.177 20 10 EGCDRN Cc1nn(C)c(Cl)c1/C=C\C(=O)N(C)c1c(F)cccc1F ZINC000255417850 455867546 /nfs/dbraw/zinc/86/75/46/455867546.db2.gz IVXIYKSWFUKGLS-FPLPWBNLSA-N 0 0 325.746 3.336 20 10 EGCDRN O=C(c1cccc(O)c1O)N(Cc1ccccc1)CC1CCOCC1 ZINC000187091039 455869934 /nfs/dbraw/zinc/86/99/34/455869934.db2.gz LZWHBBSIXXQWQI-UHFFFAOYSA-N 0 0 341.407 3.167 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2CC=C(C(F)(F)F)CC2)cc1 ZINC000270170345 455894279 /nfs/dbraw/zinc/89/42/79/455894279.db2.gz WKPLKHLXIXAHRD-UHFFFAOYSA-N 0 0 327.350 3.157 20 10 EGCDRN COc1ncc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000296359507 455917298 /nfs/dbraw/zinc/91/72/98/455917298.db2.gz IROWUXMWEJSYCZ-VIFPVBQESA-N 0 0 337.763 3.208 20 10 EGCDRN CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187749119 455948207 /nfs/dbraw/zinc/94/82/07/455948207.db2.gz VRIYQFLGYUWVEC-WXTIYCDTSA-N 0 0 331.428 3.401 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187762810 455949992 /nfs/dbraw/zinc/94/99/92/455949992.db2.gz ICJDTHDKYZKVEE-ABAIWWIYSA-N 0 0 332.350 3.127 20 10 EGCDRN CC[C@@H]([NH2+]CCNC(=O)c1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000286114369 455979849 /nfs/dbraw/zinc/97/98/49/455979849.db2.gz NUSQFBGRGVMKRI-QGZVFWFLSA-N 0 0 346.402 3.011 20 10 EGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000280496282 455983130 /nfs/dbraw/zinc/98/31/30/455983130.db2.gz FRPXCZAYISXBDX-MJGOQNOKSA-N 0 0 330.472 3.356 20 10 EGCDRN COc1ccc(COCCCC(=O)NCc2ccccc2O)cc1 ZINC000270562910 455983972 /nfs/dbraw/zinc/98/39/72/455983972.db2.gz QLOSLUJQXYGTQS-UHFFFAOYSA-N 0 0 329.396 3.014 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCC(=O)[C@H]2C)cc1F ZINC000280529700 455991360 /nfs/dbraw/zinc/99/13/60/455991360.db2.gz NMXDGTLHRXJTPJ-DZGCQCFKSA-N 0 0 334.435 3.293 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000270654190 456007234 /nfs/dbraw/zinc/00/72/34/456007234.db2.gz MRZUVOIBGQTKHS-AEFFLSMTSA-N 0 0 347.503 3.488 20 10 EGCDRN O=C([O-])c1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000296757626 456030133 /nfs/dbraw/zinc/03/01/33/456030133.db2.gz FAXNRLGYAXCIPT-GOSISDBHSA-N 0 0 341.407 3.272 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2CCC=C(c3ccco3)C2)cc1 ZINC000286592859 456049976 /nfs/dbraw/zinc/04/99/76/456049976.db2.gz VXYQIWRUKNERPR-UHFFFAOYSA-N 0 0 325.412 3.345 20 10 EGCDRN CC(=O)N1CCN(c2cccc(N[C@@H](C)c3ccccc3O)c2)CC1 ZINC000188543545 456081516 /nfs/dbraw/zinc/08/15/16/456081516.db2.gz LFXSRYCOWQCNIP-HNNXBMFYSA-N 0 0 339.439 3.234 20 10 EGCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000272879644 456098199 /nfs/dbraw/zinc/09/81/99/456098199.db2.gz VFHHAJFVBYPKSD-GOEBONIOSA-N 0 0 331.456 3.483 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2COc3ccccc32)c1[O-] ZINC000288592886 456100153 /nfs/dbraw/zinc/10/01/53/456100153.db2.gz OWLDMHBOKQVRDY-LLVKDONJSA-N 0 0 334.759 3.220 20 10 EGCDRN CC(C)[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCCO1 ZINC000297116268 456122894 /nfs/dbraw/zinc/12/28/94/456122894.db2.gz GEFURRZMQZYPQC-LJQANCHMSA-N 0 0 343.471 3.019 20 10 EGCDRN Cc1ccnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000301471790 456123928 /nfs/dbraw/zinc/12/39/28/456123928.db2.gz PRINCOGZOKYMFP-ZDUSSCGKSA-N 0 0 334.370 3.467 20 10 EGCDRN CN(C)c1ccc(CN(C)Cc2nccn2CC(F)(F)F)cc1F ZINC000271137154 456138170 /nfs/dbraw/zinc/13/81/70/456138170.db2.gz AHBJYOIBOPMCMP-UHFFFAOYSA-N 0 0 344.356 3.283 20 10 EGCDRN COCCOCc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1 ZINC000289823817 456145425 /nfs/dbraw/zinc/14/54/25/456145425.db2.gz CGJFKKQSGYMGAX-XNTDXEJSSA-N 0 0 349.477 3.213 20 10 EGCDRN CC1(C)Cc2nc(NC(=O)Cc3ccc(N)cc3)sc2C(=O)C1 ZINC000236736861 456176988 /nfs/dbraw/zinc/17/69/88/456176988.db2.gz 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C[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000123620499 1293449646 /nfs/dbraw/zinc/44/96/46/1293449646.db2.gz AYGNPPSGVJFPPP-CABCVRRESA-N 0 0 331.460 3.072 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1c(C)n[nH]c1C ZINC000123844175 1293457747 /nfs/dbraw/zinc/45/77/47/1293457747.db2.gz QSSCEKIXQZOENX-UHFFFAOYSA-N 0 0 328.460 3.074 20 10 EGCDRN CC[C@@H](C)[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)OC ZINC000836244017 1293466589 /nfs/dbraw/zinc/46/65/89/1293466589.db2.gz LEPCAGDNLYOLSJ-QAPCUYQASA-N 0 0 333.476 3.147 20 10 EGCDRN CC[C@@H](C)[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)OC ZINC000836244014 1293466900 /nfs/dbraw/zinc/46/69/00/1293466900.db2.gz LEPCAGDNLYOLSJ-CRAIPNDOSA-N 0 0 333.476 3.147 20 10 EGCDRN Cc1cc(Br)cc(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000124570690 1293478816 /nfs/dbraw/zinc/47/88/16/1293478816.db2.gz ZNJXTQPAMHMZNF-LLVKDONJSA-N 0 0 328.250 3.462 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1C ZINC000125756069 1293515987 /nfs/dbraw/zinc/51/59/87/1293515987.db2.gz 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Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)Cc1cccnc1 ZINC000840479190 1321097792 /nfs/dbraw/zinc/09/77/92/1321097792.db2.gz MAUPBSRAXYZXIK-MRXNPFEDSA-N 0 0 340.471 3.229 20 10 EGCDRN C/C(=C\C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)c1cnccn1 ZINC000840555339 1321107452 /nfs/dbraw/zinc/10/74/52/1321107452.db2.gz NUTPMJLKVGNPBB-SFKKXYGYSA-N 0 0 338.455 3.002 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn(C)nc1C1CC1 ZINC000840554334 1321107547 /nfs/dbraw/zinc/10/75/47/1321107547.db2.gz GBLGRYLSIGCZQX-AWEZNQCLSA-N 0 0 340.471 3.033 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])c1ccn(C)n1 ZINC000840818758 1321156124 /nfs/dbraw/zinc/15/61/24/1321156124.db2.gz ZLNLROUTSDQAST-DTWKUNHWSA-N 0 0 342.212 3.439 20 10 EGCDRN CCCN(Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1O ZINC000840912179 1321176965 /nfs/dbraw/zinc/17/69/65/1321176965.db2.gz BWHSZNPMPVPWKA-UHFFFAOYSA-N 0 0 339.482 3.269 20 10 EGCDRN Oc1cc(OCc2ccccc2)ccc1CN1CCO[C@H](CF)C1 ZINC000840954113 1321185327 /nfs/dbraw/zinc/18/53/27/1321185327.db2.gz GIZSUCMILHTHHM-GOSISDBHSA-N 0 0 331.387 3.142 20 10 EGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000840963270 1321187909 /nfs/dbraw/zinc/18/79/09/1321187909.db2.gz MWPKLCQKEIJMGK-GFCCVEGCSA-N 0 0 327.758 3.190 20 10 EGCDRN CCCN(C(=O)C(=O)Nc1ccc(N)cc1)[C@H]1CCc2ccccc21 ZINC000841026045 1321202401 /nfs/dbraw/zinc/20/24/01/1321202401.db2.gz QYSPMTYBGNRMIF-SFHVURJKSA-N 0 0 337.423 3.133 20 10 EGCDRN NC[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1CCCCC1 ZINC000841039609 1321206820 /nfs/dbraw/zinc/20/68/20/1321206820.db2.gz WIVBYVVOEFTCQT-AWEZNQCLSA-N 0 0 327.266 3.152 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCc3cc(N)ccc32)ccc1[N+](=O)[O-] ZINC000841059369 1321210813 /nfs/dbraw/zinc/21/08/13/1321210813.db2.gz QRQCBWLQZKGLQQ-OAHLLOKOSA-N 0 0 343.383 3.058 20 10 EGCDRN Cc1ccc(CN(C(=O)C(=O)Nc2ccc(N)cc2)C2CC2)cc1C ZINC000841109998 1321219627 /nfs/dbraw/zinc/21/96/27/1321219627.db2.gz QCIGKLPSHURWRL-UHFFFAOYSA-N 0 0 337.423 3.015 20 10 EGCDRN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841129307 1321223408 /nfs/dbraw/zinc/22/34/08/1321223408.db2.gz XRUYJZSXGFRXBT-RDTXWAMCSA-N 0 0 337.423 3.207 20 10 EGCDRN CCCCCn1nc(C)cc1NC(=O)NCCc1ccc(N)cc1 ZINC000841136079 1321224604 /nfs/dbraw/zinc/22/46/04/1321224604.db2.gz SQDNPFDKPSBRID-UHFFFAOYSA-N 0 0 329.448 3.328 20 10 EGCDRN Nc1ccc(NC(=O)C(=O)Nc2ccccc2OC2CCCC2)cc1 ZINC000841149561 1321227157 /nfs/dbraw/zinc/22/71/57/1321227157.db2.gz JMICEBSURPHHJA-UHFFFAOYSA-N 0 0 339.395 3.167 20 10 EGCDRN CO[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)CC(C)C ZINC000841444844 1321273116 /nfs/dbraw/zinc/27/31/16/1321273116.db2.gz YOZBIBNZYWMULY-MRXNPFEDSA-N 0 0 329.444 3.280 20 10 EGCDRN COc1ccc(C)cc1[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841662589 1321293701 /nfs/dbraw/zinc/29/37/01/1321293701.db2.gz NMVWWJYTSNPQON-AWEZNQCLSA-N 0 0 327.428 3.189 20 10 EGCDRN COCCCC[N@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000841690123 1321296546 /nfs/dbraw/zinc/29/65/46/1321296546.db2.gz CAKUHGBGBYKHJY-UHFFFAOYSA-N 0 0 343.423 3.187 20 10 EGCDRN CC(C)Oc1ccccc1CNC(=O)NCCc1ccc(N)cc1 ZINC000841725567 1321303105 /nfs/dbraw/zinc/30/31/05/1321303105.db2.gz NCXHNGFAUHOUQR-UHFFFAOYSA-N 0 0 327.428 3.098 20 10 EGCDRN C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(Cl)cc1[O-] ZINC000841748679 1321306352 /nfs/dbraw/zinc/30/63/52/1321306352.db2.gz YAXDXJVXJJLFLN-LBPRGKRZSA-N 0 0 348.830 3.222 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000841763390 1321309040 /nfs/dbraw/zinc/30/90/40/1321309040.db2.gz WZULBDMIIMDQCQ-CZUORRHYSA-N 0 0 335.444 3.161 20 10 EGCDRN COc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)C(=O)[O-])cc1C ZINC000841792759 1321313227 /nfs/dbraw/zinc/31/32/27/1321313227.db2.gz FAWYMWVUNQYEJH-GOSISDBHSA-N 0 0 327.424 3.427 20 10 EGCDRN C[C@@H](CNC(=O)NCCc1ccc(N)cc1)Sc1ccccc1 ZINC000841841584 1321322281 /nfs/dbraw/zinc/32/22/81/1321322281.db2.gz XXMGIOWQCVUBKK-AWEZNQCLSA-N 0 0 329.469 3.291 20 10 EGCDRN CSCc1cccc(CNC(=O)NCCc2ccc(N)cc2)c1 ZINC000841883420 1321325954 /nfs/dbraw/zinc/32/59/54/1321325954.db2.gz FWAORZYZJRGXKD-UHFFFAOYSA-N 0 0 329.469 3.174 20 10 EGCDRN Cc1cc(CCNC(=O)NCCc2ccc(N)cc2)ccc1Cl ZINC000841912499 1321329121 /nfs/dbraw/zinc/32/91/21/1321329121.db2.gz YOOHHYJWPIRPGX-UHFFFAOYSA-N 0 0 331.847 3.315 20 10 EGCDRN COc1cccc([C@H]2C[C@H](NC(=O)NCCc3ccc(N)cc3)C2)c1 ZINC000841913435 1321329372 /nfs/dbraw/zinc/32/93/72/1321329372.db2.gz RDKVBODXUCOCKV-SAABIXHNSA-N 0 0 339.439 3.065 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CCc3cc(Cl)ccc3C2)cc1 ZINC000841957706 1321332454 /nfs/dbraw/zinc/33/24/54/1321332454.db2.gz CQVWPNNCDCVGBG-UHFFFAOYSA-N 0 0 329.831 3.233 20 10 EGCDRN Cc1cc(C(=O)Cn2nc(C)nc2C)c(C)n1-c1ccc(Cl)cn1 ZINC000842020203 1321336079 /nfs/dbraw/zinc/33/60/79/1321336079.db2.gz GGPMNJKPNCXHLA-UHFFFAOYSA-N 0 0 343.818 3.234 20 10 EGCDRN Cc1cc(C(=O)Cn2cc(C)cnc2=O)c(C)n1-c1cccc(C)c1 ZINC000842056126 1321340651 /nfs/dbraw/zinc/34/06/51/1321340651.db2.gz GPFLWWGLOAQZEG-UHFFFAOYSA-N 0 0 335.407 3.151 20 10 EGCDRN CC(C)[C@@]1(C)C[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842261142 1321366313 /nfs/dbraw/zinc/36/63/13/1321366313.db2.gz NASZEBQLCWEGEV-WMLDXEAASA-N 0 0 336.819 3.244 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)NC2(CCCCC2)C1=O ZINC000842264379 1321367036 /nfs/dbraw/zinc/36/70/36/1321367036.db2.gz INXDIRMKSMSVRQ-OAHLLOKOSA-N 0 0 343.471 3.247 20 10 EGCDRN CCOC(=O)C1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000843581320 1321529636 /nfs/dbraw/zinc/52/96/36/1321529636.db2.gz RQIOFVIFOAERDT-CQSZACIVSA-N 0 0 332.444 3.053 20 10 EGCDRN CC1=C(C)C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000843774058 1321547125 /nfs/dbraw/zinc/54/71/25/1321547125.db2.gz HAAPAOVTTGVGOO-GOSISDBHSA-N 0 0 328.456 3.276 20 10 EGCDRN COc1cccc(CNC(=O)c2ccc3c(c2)CC(C)(C)O3)c1O ZINC000843832461 1321551878 /nfs/dbraw/zinc/55/18/78/1321551878.db2.gz NMBFTZOHODQXJP-UHFFFAOYSA-N 0 0 327.380 3.044 20 10 EGCDRN CC[C@H](C)C[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000844029916 1321566865 /nfs/dbraw/zinc/56/68/65/1321566865.db2.gz ATVQTMVIEPGSIC-BBRMVZONSA-N 0 0 329.444 3.016 20 10 EGCDRN COc1ccc(N(C)CCCS(=O)(=O)c2ccccc2OC)cc1 ZINC000844352810 1321592907 /nfs/dbraw/zinc/59/29/07/1321592907.db2.gz JAHACBOYEUNVBU-UHFFFAOYSA-N 0 0 349.452 3.004 20 10 EGCDRN COc1ccc(N(C)CCN(C)Cc2csc([C@@H](C)OC)n2)cc1 ZINC000844400490 1321600193 /nfs/dbraw/zinc/60/01/93/1321600193.db2.gz CNICIKZPLKBONN-CQSZACIVSA-N 0 0 349.500 3.427 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccoc2C2CC2)cc1 ZINC000844856736 1321651656 /nfs/dbraw/zinc/65/16/56/1321651656.db2.gz TXEFNWFJMDCSDR-UHFFFAOYSA-N 0 0 328.412 3.374 20 10 EGCDRN Cc1nc(CNC(=O)NCc2cc(Cl)ccc2O)sc1C ZINC000845018829 1321669089 /nfs/dbraw/zinc/66/90/89/1321669089.db2.gz DULBFUIXDXNXNZ-UHFFFAOYSA-N 0 0 325.821 3.118 20 10 EGCDRN COCCC1(CNC(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000845055576 1321672995 /nfs/dbraw/zinc/67/29/95/1321672995.db2.gz AERYKQDQFCSAOC-UHFFFAOYSA-N 0 0 340.851 3.442 20 10 EGCDRN CO[C@H](C(=O)NCCCSc1nccs1)c1ccc(F)cc1 ZINC000859352008 1328973926 /nfs/dbraw/zinc/97/39/26/1328973926.db2.gz LXAZFWUQKLNJOB-ZDUSSCGKSA-N 0 0 340.445 3.268 20 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GETZWZQNZPUJAE-UHFFFAOYSA-N 0 0 349.481 3.359 20 10 EGCDRN Cc1noc([C@H](C)N(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000848324791 1321951200 /nfs/dbraw/zinc/95/12/00/1321951200.db2.gz WEDYVSDLHFBNPL-ZDUSSCGKSA-N 0 0 339.399 3.014 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N(C[C@H](C)O)C3CC3)c2C)cc1 ZINC000848361924 1321955154 /nfs/dbraw/zinc/95/51/54/1321955154.db2.gz WTNMPZUTROMFPA-AWEZNQCLSA-N 0 0 342.439 3.088 20 10 EGCDRN CC(C)(C)n1nnc(CNCc2cc(-c3ccccc3)ccc2O)n1 ZINC000848564268 1321976859 /nfs/dbraw/zinc/97/68/59/1321976859.db2.gz DGDRMAWINZBNBQ-UHFFFAOYSA-N 0 0 337.427 3.091 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000848564884 1321977045 /nfs/dbraw/zinc/97/70/45/1321977045.db2.gz RFXHNDPULFRPGN-DTWKUNHWSA-N 0 0 341.242 3.036 20 10 EGCDRN CCc1cccc(CNc2cc(C(=O)N(C)C)ccc2OC)c1O ZINC000848892379 1322033362 /nfs/dbraw/zinc/03/33/62/1322033362.db2.gz UUXGAXUQCIZRMK-UHFFFAOYSA-N 0 0 328.412 3.277 20 10 EGCDRN Cc1noc([C@@H](C)N(C)Cc2cc(Br)cc(C)c2O)n1 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CC[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(OC)cc1 ZINC000182533199 455534661 /nfs/dbraw/zinc/53/46/61/455534661.db2.gz GLRYYHUEQSPAJX-AWEZNQCLSA-N 0 0 329.396 3.307 20 10 EGCDRN CC[C@H](C)n1ncc(C(=O)NCc2ccc(O)c(O)c2)c1C1CC1 ZINC000182548570 455538597 /nfs/dbraw/zinc/53/85/97/455538597.db2.gz UIMRIAOPEZJWMQ-NSHDSACASA-N 0 0 329.400 3.073 20 10 EGCDRN COCc1nsc(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000267326978 455540086 /nfs/dbraw/zinc/54/00/86/455540086.db2.gz BBVLUDAXUBKZNJ-UHFFFAOYSA-N 0 0 332.473 3.311 20 10 EGCDRN C[C@H]1CSCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000192309939 455589918 /nfs/dbraw/zinc/58/99/18/455589918.db2.gz IXNQHPLTDDWVMF-OAHLLOKOSA-N 0 0 333.501 3.181 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1scnc1COC ZINC000283951896 455615502 /nfs/dbraw/zinc/61/55/02/455615502.db2.gz NHIFHLFRUIUYEO-UHFFFAOYSA-N 0 0 333.457 3.018 20 10 EGCDRN CC[C@@H]1CC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)O1 ZINC000268194353 455616105 /nfs/dbraw/zinc/61/61/05/455616105.db2.gz FHZFTECWRPUULX-UKRRQHHQSA-N 0 0 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/nfs/dbraw/zinc/71/05/22/455710522.db2.gz NGWWIFOPWYEKRM-WEVVVXLNSA-N 0 0 338.407 3.189 20 10 EGCDRN C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Cl)ccc1O ZINC000186262234 455728242 /nfs/dbraw/zinc/72/82/42/455728242.db2.gz ZXFPVVWYJCDQLI-LBPRGKRZSA-N 0 0 345.830 3.155 20 10 EGCDRN CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)c(O)c1 ZINC000284791917 455742387 /nfs/dbraw/zinc/74/23/87/455742387.db2.gz ZFZATASQXCZBKW-NSHGMRRFSA-N 0 0 349.471 3.197 20 10 EGCDRN CCC(CC)n1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000186416344 455763963 /nfs/dbraw/zinc/76/39/63/455763963.db2.gz BGFQMIIQYLRVOX-LBPRGKRZSA-N 0 0 345.443 3.325 20 10 EGCDRN COc1cccc(CNc2cccc(C(=O)OC(C)(C)C)n2)c1O ZINC000292878870 455764983 /nfs/dbraw/zinc/76/49/83/455764983.db2.gz VMHLECQUIWQELM-UHFFFAOYSA-N 0 0 330.384 3.363 20 10 EGCDRN O=C(c1ncoc1C1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000293429132 455785574 /nfs/dbraw/zinc/78/55/74/455785574.db2.gz QPUKBLHXFQDIHO-OAHLLOKOSA-N 0 0 342.395 3.079 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(OC(C)(C)C)cn1 ZINC000293513617 455789087 /nfs/dbraw/zinc/78/90/87/455789087.db2.gz PTWBDGAGFNKVJS-GFCCVEGCSA-N 0 0 344.411 3.031 20 10 EGCDRN O=C(NCc1ccccc1O)C1(c2ccccc2Cl)CCOCC1 ZINC000269109270 455791260 /nfs/dbraw/zinc/79/12/60/455791260.db2.gz BOIWHQNKUDEBGG-UHFFFAOYSA-N 0 0 345.826 3.410 20 10 EGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000271915301 455799613 /nfs/dbraw/zinc/79/96/13/455799613.db2.gz NDUSYIMDCHRQKU-ZDUSSCGKSA-N 0 0 332.835 3.421 20 10 EGCDRN CN1CCCc2cc(CNC(=O)NCCC[C@@H]3CCCCO3)ccc21 ZINC000186616246 455806576 /nfs/dbraw/zinc/80/65/76/455806576.db2.gz MEUVICRPFLYKQZ-SFHVURJKSA-N 0 0 345.487 3.218 20 10 EGCDRN C[C@H](OCCc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000294477717 455816807 /nfs/dbraw/zinc/81/68/07/455816807.db2.gz QOBUXZDNXOURNQ-INIZCTEOSA-N 0 0 326.440 3.017 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(=O)[nH]c1 ZINC000278368814 455831728 /nfs/dbraw/zinc/83/17/28/455831728.db2.gz BOTXNJNKTXQMTJ-UHFFFAOYSA-N 0 0 341.455 3.223 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H](C)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000278477432 455837441 /nfs/dbraw/zinc/83/74/41/455837441.db2.gz IQGWORBNOXPJGW-JTQLQIEISA-N 0 0 336.413 3.400 20 10 EGCDRN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278575072 455840160 /nfs/dbraw/zinc/84/01/60/455840160.db2.gz DJFZTLGNDITTOX-LBPRGKRZSA-N 0 0 346.383 3.477 20 10 EGCDRN CCOc1ccc(O)c(CNc2ccc3c(c2)N(C(N)=O)CCC3)c1 ZINC000278688941 455844552 /nfs/dbraw/zinc/84/45/52/455844552.db2.gz ISYYYKRJFBPAQL-UHFFFAOYSA-N 0 0 341.411 3.234 20 10 EGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)NCC2CCCCC2)s1 ZINC000295294456 455845005 /nfs/dbraw/zinc/84/50/05/455845005.db2.gz LVFBGGODLWHTAK-SNVBAGLBSA-N 0 0 342.486 3.107 20 10 EGCDRN COC(=O)c1cnc(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)s1 ZINC000295391593 455847895 /nfs/dbraw/zinc/84/78/95/455847895.db2.gz VBSUQHKCQFMJOA-WDEREUQCSA-N 0 0 342.486 3.059 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@H]2CCc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000278922891 455852952 /nfs/dbraw/zinc/85/29/52/455852952.db2.gz VBHGTACAFSVYJP-AWEZNQCLSA-N 0 0 332.331 3.225 20 10 EGCDRN O=C(NCc1ccccc1O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000270002430 455854961 /nfs/dbraw/zinc/85/49/61/455854961.db2.gz XAVAKDDMWMWZJG-CRAIPNDOSA-N 0 0 340.423 3.359 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000279080097 455856839 /nfs/dbraw/zinc/85/68/39/455856839.db2.gz BIBMHTDXGFRFMI-UHFFFAOYSA-N 0 0 346.471 3.072 20 10 EGCDRN CC1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCS1 ZINC000279447282 455865228 /nfs/dbraw/zinc/86/52/28/455865228.db2.gz KKQCRWFLEWRXEX-UHFFFAOYSA-N 0 0 345.512 3.490 20 10 EGCDRN COc1cccc(CNC(=O)c2cc(C3CC3)cnc2Cl)c1O ZINC000280027999 455881886 /nfs/dbraw/zinc/88/18/86/455881886.db2.gz UQBZVZQSJUZGSK-UHFFFAOYSA-N 0 0 332.787 3.257 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2ncccc2Br)cc1 ZINC000194889018 455895539 /nfs/dbraw/zinc/89/55/39/455895539.db2.gz MFBAEYYHDQXIMH-UHFFFAOYSA-N 0 0 348.244 3.182 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@](C)(O)CC2)cc1 ZINC000280155623 455904847 /nfs/dbraw/zinc/90/48/47/455904847.db2.gz BEXPVEYTFPVGKO-FQEVSTJZSA-N 0 0 326.440 3.471 20 10 EGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000285739816 455906713 /nfs/dbraw/zinc/90/67/13/455906713.db2.gz YARDQSFYRKUJCG-HNNXBMFYSA-N 0 0 349.324 3.013 20 10 EGCDRN COCC(=O)N1CCc2cc(N[C@@H]3CCc4cccc(O)c43)ccc21 ZINC000296327260 455909986 /nfs/dbraw/zinc/90/99/86/455909986.db2.gz GCFROUUWCXDWDP-MRXNPFEDSA-N 0 0 338.407 3.027 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)Cc3cncs3)cc2)CC1 ZINC000187465046 455913099 /nfs/dbraw/zinc/91/30/99/455913099.db2.gz AJGOGXDAVLSHRG-UHFFFAOYSA-N 0 0 329.469 3.238 20 10 EGCDRN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NCc2ccccc2O)C1 ZINC000270329208 455929723 /nfs/dbraw/zinc/92/97/23/455929723.db2.gz DBJIFIROUZLYMG-CQSZACIVSA-N 0 0 348.443 3.046 20 10 EGCDRN CCN(CC)c1ccc(CNc2ncn(CC(F)(F)F)n2)cc1 ZINC000195169451 455929694 /nfs/dbraw/zinc/92/96/94/455929694.db2.gz MDCPUUCLYXCLSC-UHFFFAOYSA-N 0 0 327.354 3.299 20 10 EGCDRN C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(F)c(F)c1[O-] ZINC000187683678 455938055 /nfs/dbraw/zinc/93/80/55/455938055.db2.gz YYLVGRGOQVEKSQ-LBPRGKRZSA-N 0 0 326.387 3.114 20 10 EGCDRN Oc1ccccc1CNc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000280418071 455968280 /nfs/dbraw/zinc/96/82/80/455968280.db2.gz BJGAWDPVTCOYHX-UHFFFAOYSA-N 0 0 332.831 3.490 20 10 EGCDRN CC[C@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccc(F)cc1[O-] ZINC000286091552 455975266 /nfs/dbraw/zinc/97/52/66/455975266.db2.gz MTPHNKPUSUOAAM-INIZCTEOSA-N 0 0 349.402 3.152 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000270628573 455999426 /nfs/dbraw/zinc/99/94/26/455999426.db2.gz VLLPFXHLICSFMS-GOSISDBHSA-N 0 0 331.387 3.394 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000280633784 456018612 /nfs/dbraw/zinc/01/86/12/456018612.db2.gz HLZPYNATFFGLLH-SHTZXODSSA-N 0 0 328.368 3.345 20 10 EGCDRN CC(=O)Nc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000188394892 456055150 /nfs/dbraw/zinc/05/51/50/456055150.db2.gz CWAQVMYXBOZDTC-UHFFFAOYSA-N 0 0 343.402 3.089 20 10 EGCDRN C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000286868423 456055897 /nfs/dbraw/zinc/05/58/97/456055897.db2.gz BOIWQAADAWZAFI-PXAZEXFGSA-N 0 0 347.390 3.393 20 10 EGCDRN CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(F)cc1[O-] ZINC000286952931 456057886 /nfs/dbraw/zinc/05/78/86/456057886.db2.gz BRESDJXPYPSBEI-LLVKDONJSA-N 0 0 327.293 3.489 20 10 EGCDRN Cc1ccccc1NC1=NC(=O)C(=Cc2cn(C(C)C)nn2)S1 ZINC000286973485 456058713 /nfs/dbraw/zinc/05/87/13/456058713.db2.gz CEWCVNUSODEGTO-RIYZIHGNSA-N 0 0 327.413 3.250 20 10 EGCDRN CC[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc(Cl)c1[O-] ZINC000287295831 456065558 /nfs/dbraw/zinc/06/55/58/456065558.db2.gz CEEIHMNSAXBEAW-MRXNPFEDSA-N 0 0 332.831 3.428 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCCSC1 ZINC000287479130 456070380 /nfs/dbraw/zinc/07/03/80/456070380.db2.gz ICSVCPQWNARRAT-INIZCTEOSA-N 0 0 333.501 3.229 20 10 EGCDRN CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287527719 456071066 /nfs/dbraw/zinc/07/10/66/456071066.db2.gz DMIUASXFDSPRDC-GFCCVEGCSA-N 0 0 340.272 3.174 20 10 EGCDRN Cn1ccnc1C(=O)c1ccc(Sc2nccs2)c([N+](=O)[O-])c1 ZINC000301270730 456076283 /nfs/dbraw/zinc/07/62/83/456076283.db2.gz XOHKMTOECVLPSW-UHFFFAOYSA-N 0 0 346.393 3.167 20 10 EGCDRN O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000288699223 456102266 /nfs/dbraw/zinc/10/22/66/456102266.db2.gz YJYTXJLELAGRGR-CTNGQTDRSA-N 0 0 338.451 3.261 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2COc3ccccc32)cc1 ZINC000289369788 456123287 /nfs/dbraw/zinc/12/32/87/456123287.db2.gz JIXBRAXOBQLHOE-MRXNPFEDSA-N 0 0 339.439 3.070 20 10 EGCDRN COc1cccc(CNC(=O)NC[C@H](c2ccccc2)C2CC2)c1O ZINC000297184410 456142947 /nfs/dbraw/zinc/14/29/47/456142947.db2.gz BYNUGXAZLGIARI-QGZVFWFLSA-N 0 0 340.423 3.394 20 10 EGCDRN CC(C)c1nsc(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000301551789 456144879 /nfs/dbraw/zinc/14/48/79/456144879.db2.gz YKKONWOXHZOOIQ-UHFFFAOYSA-N 0 0 336.436 3.249 20 10 EGCDRN CCOc1ccccc1OCCCC(=O)NCc1ccc(N)cc1 ZINC000297326651 456186310 /nfs/dbraw/zinc/18/63/10/456186310.db2.gz XKARUAQKPQNXLQ-UHFFFAOYSA-N 0 0 328.412 3.143 20 10 EGCDRN CC(C)Oc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000273150978 456193181 /nfs/dbraw/zinc/19/31/81/456193181.db2.gz HTBZZDIDJIXKME-ZDUSSCGKSA-N 0 0 329.396 3.246 20 10 EGCDRN C[C@@H]1C[C@@H](CCNC(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000273147579 456193237 /nfs/dbraw/zinc/19/32/37/456193237.db2.gz WVNZCCHPWUZEOL-CABCVRRESA-N 0 0 346.471 3.275 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccnnc1 ZINC000297366456 456200792 /nfs/dbraw/zinc/20/07/92/456200792.db2.gz ICVKARHXQKLPGV-UHFFFAOYSA-N 0 0 325.416 3.131 20 10 EGCDRN CCOCCOCc1cccc(NC(=O)Cc2ccc(N)cc2)c1C ZINC000236919700 456201574 /nfs/dbraw/zinc/20/15/74/456201574.db2.gz MAHJHGZMKNEBCE-UHFFFAOYSA-N 0 0 342.439 3.312 20 10 EGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCCCC1 ZINC000263721593 456201763 /nfs/dbraw/zinc/20/17/63/456201763.db2.gz LTCIACMPLOEDPH-UHFFFAOYSA-N 0 0 348.462 3.373 20 10 EGCDRN C[C@@H]([NH2+]CCCCNc1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273364263 456225398 /nfs/dbraw/zinc/22/53/98/456225398.db2.gz BBMHXUABRCKEJL-CYBMUJFWSA-N 0 0 330.388 3.238 20 10 EGCDRN Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000273425089 456230648 /nfs/dbraw/zinc/23/06/48/456230648.db2.gz TYEUCJSEGKVGBW-GOEBONIOSA-N 0 0 345.370 3.195 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1 ZINC000273446487 456231902 /nfs/dbraw/zinc/23/19/02/456231902.db2.gz FCWGSSQWTJWVET-ZIAGYGMSSA-N 0 0 335.444 3.018 20 10 EGCDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000237101557 456233779 /nfs/dbraw/zinc/23/37/79/456233779.db2.gz CQYCYMMZDNOXGM-XIKOKIGWSA-N 0 0 332.831 3.357 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273517847 456235904 /nfs/dbraw/zinc/23/59/04/456235904.db2.gz SVBKDKWIGCBJMA-TZMCWYRMSA-N 0 0 336.388 3.027 20 10 EGCDRN CN(C)c1ccc(CN(C)c2ncnc3c2cnn3C(C)(C)C)cc1 ZINC000301900699 456246438 /nfs/dbraw/zinc/24/64/38/456246438.db2.gz UXXWCFVGWGQRMO-UHFFFAOYSA-N 0 0 338.459 3.284 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cnc([C@H]2CCCO2)s1 ZINC000274271437 456254058 /nfs/dbraw/zinc/25/40/58/456254058.db2.gz MDCPWOQOXMCVKL-MRXNPFEDSA-N 0 0 345.468 3.460 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@@H](O)C(C)(C)C2)c(C)n1-c1ccccc1 ZINC000275706441 456291715 /nfs/dbraw/zinc/29/17/15/456291715.db2.gz CCQOLJHWYNWRRM-GOSISDBHSA-N 0 0 326.440 3.327 20 10 EGCDRN CC[C@@H](N[C@H](C)c1ncn(C)n1)c1cc(Br)ccc1O ZINC000275764645 456307068 /nfs/dbraw/zinc/30/70/68/456307068.db2.gz UAVDMVKAQQKWJJ-BXKDBHETSA-N 0 0 339.237 3.085 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccsc1 ZINC000275780448 456312090 /nfs/dbraw/zinc/31/20/90/456312090.db2.gz WBOPBLBSZPJQLY-UHFFFAOYSA-N 0 0 345.468 3.190 20 10 EGCDRN CCc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1C ZINC000290720886 456413870 /nfs/dbraw/zinc/41/38/70/456413870.db2.gz HJDALNOUOALRTE-MRXNPFEDSA-N 0 0 342.439 3.115 20 10 EGCDRN C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)C[C@H](C)S1(=O)=O ZINC000290919838 456467136 /nfs/dbraw/zinc/46/71/36/456467136.db2.gz NTDKSBQBRBMRHU-GJZGRUSLSA-N 0 0 345.464 3.067 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1COc2ccccc21 ZINC000290925899 456468529 /nfs/dbraw/zinc/46/85/29/456468529.db2.gz IIXVBIIGZAYJGV-MRXNPFEDSA-N 0 0 340.423 3.490 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(NC=O)cc1 ZINC000282399268 456500477 /nfs/dbraw/zinc/50/04/77/456500477.db2.gz FCYDQQQAISDPMK-UHFFFAOYSA-N 0 0 326.396 3.403 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2nnc(C)n2c1 ZINC000282422068 456508098 /nfs/dbraw/zinc/50/80/98/456508098.db2.gz GUMDDUZSQKGRJV-UHFFFAOYSA-N 0 0 338.411 3.186 20 10 EGCDRN Oc1ccc(-c2ccccc2)cc1CN1CCOC[C@@]12CCOC2 ZINC000282469563 456523543 /nfs/dbraw/zinc/52/35/43/456523543.db2.gz WDZMSFAONREFKZ-FQEVSTJZSA-N 0 0 325.408 3.051 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000282518321 456539745 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COC(=O)[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])[C@H]1c1ccccc1 ZINC001138132662 1377683455 /nfs/dbraw/zinc/68/34/55/1377683455.db2.gz JJBXQYKKVRIFGD-RDJZCZTQSA-N 0 0 329.371 3.268 20 10 EGCDRN Cc1nnc(C2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)o1 ZINC001138356446 1377708380 /nfs/dbraw/zinc/70/83/80/1377708380.db2.gz OKTPFXWVDISLRK-UHFFFAOYSA-N 0 0 326.444 3.140 20 10 EGCDRN C[N@H+](Cc1ccc(I)o1)Cc1ccccc1O ZINC001138901724 1377800897 /nfs/dbraw/zinc/80/08/97/1377800897.db2.gz WGWCCLPFSBJWIF-UHFFFAOYSA-N 0 0 343.164 3.222 20 10 EGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001139684588 1377933721 /nfs/dbraw/zinc/93/37/21/1377933721.db2.gz OBQLXSOXVQMSGY-UHFFFAOYSA-N 0 0 337.341 3.293 20 10 EGCDRN C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1c(F)ccc(F)c1[O-] ZINC001139687898 1377934263 /nfs/dbraw/zinc/93/42/63/1377934263.db2.gz UDBPLAMOMYVQCF-UHFFFAOYSA-N 0 0 329.350 3.488 20 10 EGCDRN COc1ncc(CN2CCc3cccc(O)c3C2)cc1Br ZINC001140166887 1378024426 /nfs/dbraw/zinc/02/44/26/1378024426.db2.gz PTLPWRRAYDOZSR-UHFFFAOYSA-N 0 0 349.228 3.117 20 10 EGCDRN CC(C)(C)OC(=O)N1CCN(Cc2c(O)cccc2Cl)[C@H]2C[C@H]21 ZINC001140339532 1378049014 /nfs/dbraw/zinc/04/90/14/1378049014.db2.gz WIAXSSSYXDYDSC-UONOGXRCSA-N 0 0 338.835 3.239 20 10 EGCDRN COC(=O)[C@@H]1Cc2ccccc2CN1Cc1c(O)cccc1Cl ZINC001140341622 1378049400 /nfs/dbraw/zinc/04/94/00/1378049400.db2.gz ZUJSQIZONGXESA-INIZCTEOSA-N 0 0 331.799 3.146 20 10 EGCDRN COC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(Cl)cc1O ZINC001140465073 1378067651 /nfs/dbraw/zinc/06/76/51/1378067651.db2.gz HDWPSEBAHHPQGR-INIZCTEOSA-N 0 0 331.799 3.146 20 10 EGCDRN CCOC[C@@H]1CN(Cc2ccc(Cl)cc2O)Cc2cnn(CC)c21 ZINC001140466420 1378067786 /nfs/dbraw/zinc/06/77/86/1378067786.db2.gz DPCWHEUBJWFYQU-HNNXBMFYSA-N 0 0 349.862 3.398 20 10 EGCDRN CCOC[C@@H]1CN(Cc2ccc(Cl)cc2O)Cc2c1cnn2CC ZINC001140467714 1378069202 /nfs/dbraw/zinc/06/92/02/1378069202.db2.gz WCJSXMXTKKVKKX-AWEZNQCLSA-N 0 0 349.862 3.398 20 10 EGCDRN CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1c([O-])cc(F)cc1F ZINC001140583230 1378090263 /nfs/dbraw/zinc/09/02/63/1378090263.db2.gz AANKUMHMGKTMCW-UHFFFAOYSA-N 0 0 344.402 3.406 20 10 EGCDRN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583882 1378090356 /nfs/dbraw/zinc/09/03/56/1378090356.db2.gz XLSDCVORYVDMAO-LBPRGKRZSA-N 0 0 342.386 3.160 20 10 EGCDRN Cc1cccnc1OC1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585732 1378090405 /nfs/dbraw/zinc/09/04/05/1378090405.db2.gz SJVLGGFHTWIJOC-UHFFFAOYSA-N 0 0 334.366 3.417 20 10 EGCDRN O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1c([O-])cccc1F ZINC001273265580 1378092988 /nfs/dbraw/zinc/09/29/88/1378092988.db2.gz HXCSGWNBDKRYTE-FQEVSTJZSA-N 0 0 346.446 3.288 20 10 EGCDRN O=C1N(C2CCCC2)CC[C@@]12CCC[N@H+]2Cc1c([O-])cccc1F ZINC001273266335 1378093395 /nfs/dbraw/zinc/09/33/95/1378093395.db2.gz WYKXVNCRQNTNML-IBGZPJMESA-N 0 0 332.419 3.041 20 10 EGCDRN COc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520818 1378452371 /nfs/dbraw/zinc/45/23/71/1378452371.db2.gz PUPLCZHKTUBMFO-CYBMUJFWSA-N 0 0 335.350 3.332 20 10 EGCDRN C[C@](O)(C1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1)C(F)(F)F ZINC001142527437 1378453161 /nfs/dbraw/zinc/45/31/61/1378453161.db2.gz UWOSTUPZNKNGBR-AWEZNQCLSA-N 0 0 339.304 3.196 20 10 EGCDRN COC(=O)[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1c1ccccc1 ZINC001142534431 1378455468 /nfs/dbraw/zinc/45/54/68/1378455468.db2.gz JGTGWYLXTNRUBG-KSSFIOAISA-N 0 0 347.361 3.407 20 10 EGCDRN CC(C)/C=C/C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001142661846 1378471907 /nfs/dbraw/zinc/47/19/07/1378471907.db2.gz ISJINESFOAWORQ-JXMROGBWSA-N 0 0 334.375 3.195 20 10 EGCDRN CC(C)(C)c1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1O ZINC001143104621 1378541220 /nfs/dbraw/zinc/54/12/20/1378541220.db2.gz WFFKAMKNMCTRRU-UHFFFAOYSA-N 0 0 342.439 3.241 20 10 EGCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@H]3C[C@@H]3F)cc2)cc1 ZINC001143438397 1378597415 /nfs/dbraw/zinc/59/74/15/1378597415.db2.gz GOALFMYWLKZESQ-GJZGRUSLSA-N 0 0 328.347 3.209 20 10 EGCDRN COc1cccc2c1C[C@@H](C(=O)NCc1c(C)cc(C)cc1O)CC2 ZINC001143548409 1378613961 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O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001148588321 1379218219 /nfs/dbraw/zinc/21/82/19/1379218219.db2.gz SIUNIDLIKPRQRN-CYBMUJFWSA-N 0 0 349.333 3.068 20 10 EGCDRN O=C(NCc1ccccc1O)c1cc2cnccc2nc1C(F)(F)F ZINC001150575190 1379571614 /nfs/dbraw/zinc/57/16/14/1379571614.db2.gz MTDMLCSIPWFDEA-UHFFFAOYSA-N 0 0 347.296 3.284 20 10 EGCDRN Cc1nc2sccc2c(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155933070 1380506137 /nfs/dbraw/zinc/50/61/37/1380506137.db2.gz JSDNORZTWLUMKZ-UHFFFAOYSA-N 0 0 327.409 3.364 20 10 EGCDRN Oc1cc2c(cc1O)CN(c1nnc(Cl)c3cccnc31)CCC2 ZINC001155941353 1380506781 /nfs/dbraw/zinc/50/67/81/1380506781.db2.gz MRRXDNHTLACRDY-UHFFFAOYSA-N 0 0 342.786 3.042 20 10 EGCDRN Nc1ccc(CC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC001157599610 1380977519 /nfs/dbraw/zinc/97/75/19/1380977519.db2.gz YVDFDVIMOSDGDU-NRFANRHFSA-N 0 0 331.419 3.245 20 10 EGCDRN CCN(CC)c1nc(Br)cnc1Nc1ccc(N)cc1 ZINC001159177824 1381722365 /nfs/dbraw/zinc/72/23/65/1381722365.db2.gz BWVJZJOKPAGWGE-UHFFFAOYSA-N 0 0 336.237 3.411 20 10 EGCDRN Cc1c(Cl)nc(C(C)(C)C)nc1NCC(=O)c1ccc(O)c(O)c1 ZINC001159279805 1381750340 /nfs/dbraw/zinc/75/03/40/1381750340.db2.gz ZNPUVMAFPFSODB-UHFFFAOYSA-N 0 0 349.818 3.442 20 10 EGCDRN COCCO[C@@H](C)c1nnc(-c2cc(C)n(-c3ccccn3)c2C)o1 ZINC001328476823 1388758682 /nfs/dbraw/zinc/75/86/82/1388758682.db2.gz RJBZLZSYXVXFDG-AWEZNQCLSA-N 0 0 342.399 3.263 20 10 EGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncc(C(F)F)cn2)C1 ZINC001166817348 1383482207 /nfs/dbraw/zinc/48/22/07/1383482207.db2.gz XGZTXFJTAVNMAY-UHFFFAOYSA-N 0 0 344.365 3.477 20 10 EGCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nccc(C(F)F)n2)C1 ZINC001166817691 1383482289 /nfs/dbraw/zinc/48/22/89/1383482289.db2.gz GNDJAUDLIMBHRG-UHFFFAOYSA-N 0 0 344.365 3.477 20 10 EGCDRN COc1cccc(Oc2cc(NCc3ccc(O)c(O)c3)ncn2)c1 ZINC001169990243 1384211993 /nfs/dbraw/zinc/21/19/93/1384211993.db2.gz CWVJJMBVDJNYSS-UHFFFAOYSA-N 0 0 339.351 3.301 20 10 EGCDRN Oc1ccc(CNc2nc(Cl)nc3ccc(Cl)nc32)cc1O ZINC001169990669 1384212087 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COc1ccc(C[C@H](C)N(C)C(=O)NCc2ccc(N)cc2)cc1 ZINC001335737727 1388915221 /nfs/dbraw/zinc/91/52/21/1388915221.db2.gz SVTXXVCGKWJGQV-AWEZNQCLSA-N 0 0 327.428 3.050 20 10 EGCDRN CCOC(=O)Cc1cncnc1NCc1cc2ccccc2cc1O ZINC001171399110 1384512451 /nfs/dbraw/zinc/51/24/51/1384512451.db2.gz CPYQUBOZJFZGHX-UHFFFAOYSA-N 0 0 337.379 3.053 20 10 EGCDRN Oc1cc2ccccc2cc1CNc1ccc(N2CCOCC2)cn1 ZINC001171402168 1384513334 /nfs/dbraw/zinc/51/33/34/1384513334.db2.gz HILRKUFHXBXIJE-UHFFFAOYSA-N 0 0 335.407 3.389 20 10 EGCDRN NC(=O)c1ccccc1Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001173980609 1385039521 /nfs/dbraw/zinc/03/95/21/1385039521.db2.gz CIYQKUSRSOOCFR-UHFFFAOYSA-N 0 0 342.354 3.305 20 10 EGCDRN NC(=O)c1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC001174051353 1385050235 /nfs/dbraw/zinc/05/02/35/1385050235.db2.gz BFVKLBMGKDZUHC-UHFFFAOYSA-N 0 0 342.354 3.305 20 10 EGCDRN Cc1n[nH]c(C)c1Nc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001174216029 1385078520 /nfs/dbraw/zinc/07/85/20/1385078520.db2.gz DXDYGTITPUYCJB-UHFFFAOYSA-N 0 0 348.406 3.029 20 10 EGCDRN O=C1c2ccccc2C(=O)c2cc(Nc3ccc4ncnn4c3)ccc21 ZINC001174373856 1385103240 /nfs/dbraw/zinc/10/32/40/1385103240.db2.gz MZSMATAZBXUUGC-UHFFFAOYSA-N 0 0 340.342 3.248 20 10 EGCDRN CCOc1ccc(F)c(N(c2ccc(N)cc2)S(C)(=O)=O)c1F ZINC001175042168 1385185881 /nfs/dbraw/zinc/18/58/81/1385185881.db2.gz MDPWYGPNBCVWHP-UHFFFAOYSA-N 0 0 342.367 3.043 20 10 EGCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cncs1 ZINC001175497669 1385311169 /nfs/dbraw/zinc/31/11/69/1385311169.db2.gz DODRBSISLLSKIH-UHFFFAOYSA-N 0 0 337.404 3.146 20 10 EGCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)C2=CCOCC2)cc1 ZINC001176142543 1385494787 /nfs/dbraw/zinc/49/47/87/1385494787.db2.gz IAPBXDNHOOHZLX-UHFFFAOYSA-N 0 0 344.436 3.077 20 10 EGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC001177177948 1385846121 /nfs/dbraw/zinc/84/61/21/1385846121.db2.gz KQDKBGLPCGOUAF-MRXNPFEDSA-N 0 0 346.434 3.330 20 10 EGCDRN CS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001319151276 1385982261 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CC(=O)c1cc(F)cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000285739819 455907080 /nfs/dbraw/zinc/90/70/80/455907080.db2.gz YARDQSFYRKUJCG-OAHLLOKOSA-N 0 0 349.324 3.013 20 10 EGCDRN COCC(=O)N1CCc2cc(N[C@H](C)c3cc(F)ccc3O)ccc21 ZINC000187659893 455934682 /nfs/dbraw/zinc/93/46/82/455934682.db2.gz KRBDPPVIZXYPBH-GFCCVEGCSA-N 0 0 344.386 3.240 20 10 EGCDRN O=C(Cc1ccc2n[nH]cc2c1)NCc1ccc(N2CCCC2)cc1 ZINC000280316561 455945028 /nfs/dbraw/zinc/94/50/28/455945028.db2.gz OZSZHNJMMKAZKP-UHFFFAOYSA-N 0 0 334.423 3.022 20 10 EGCDRN C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187782633 455952632 /nfs/dbraw/zinc/95/26/32/455952632.db2.gz ZTVPRFIBFSZBQV-SNVBAGLBSA-N 0 0 340.395 3.203 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187799380 455955069 /nfs/dbraw/zinc/95/50/69/455955069.db2.gz BRWKPVDSEGDFRX-LYOVBCGYSA-N 0 0 329.412 3.376 20 10 EGCDRN Cc1oc(C(C)C)nc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000285991019 455955718 /nfs/dbraw/zinc/95/57/18/455955718.db2.gz 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456052271 /nfs/dbraw/zinc/05/22/71/456052271.db2.gz FYYNGPMTSLRRRQ-FQEVSTJZSA-N 0 0 344.430 3.339 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCc2cccc(C)n2)c1 ZINC000287284258 456065612 /nfs/dbraw/zinc/06/56/12/456065612.db2.gz CYIBKRKIOCZLJK-AWEZNQCLSA-N 0 0 328.412 3.166 20 10 EGCDRN CC[C@H]([NH2+]CCS(=O)(=O)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287527726 456071352 /nfs/dbraw/zinc/07/13/52/456071352.db2.gz DMIUASXFDSPRDC-LBPRGKRZSA-N 0 0 340.272 3.174 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ncc(COC)s2)cc1 ZINC000287654153 456074799 /nfs/dbraw/zinc/07/47/99/456074799.db2.gz WZZUKETUOFPXPS-UHFFFAOYSA-N 0 0 348.472 3.457 20 10 EGCDRN CCC[C@@]1(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CCOC1 ZINC000287651652 456075101 /nfs/dbraw/zinc/07/51/01/456075101.db2.gz BAEVXZZUZSTAGL-LJQANCHMSA-N 0 0 327.428 3.178 20 10 EGCDRN CC[C@H]([NH2+]CCCS(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287656165 456075109 /nfs/dbraw/zinc/07/51/09/456075109.db2.gz LNJLCGVMEJNATN-LBPRGKRZSA-N 0 0 340.272 3.174 20 10 EGCDRN CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cccc(Cl)c1[O-] ZINC000287778538 456077520 /nfs/dbraw/zinc/07/75/20/456077520.db2.gz RZIHIHGEILEPEQ-OAHLLOKOSA-N 0 0 326.868 3.197 20 10 EGCDRN C[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000288290890 456091772 /nfs/dbraw/zinc/09/17/72/456091772.db2.gz SXNMRFZBGCNVNU-VQIMIIECSA-N 0 0 345.487 3.243 20 10 EGCDRN COc1cccc(CNc2ccc(F)c(N3CCCNC3=O)c2)c1O ZINC000288347297 456092895 /nfs/dbraw/zinc/09/28/95/456092895.db2.gz BWQYKKKFVYVMAS-UHFFFAOYSA-N 0 0 345.374 3.072 20 10 EGCDRN CCOCc1cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)ccc1OC ZINC000288634068 456101358 /nfs/dbraw/zinc/10/13/58/456101358.db2.gz SZVPQJYAZIBDSN-QRWLVFNGSA-N 0 0 329.440 3.443 20 10 EGCDRN COc1ccc(N2CCN(c3ccnc(C(C)(C)C)n3)CC2)cc1 ZINC000301509686 456134339 /nfs/dbraw/zinc/13/43/39/456134339.db2.gz CQDUHSLZCFCMTF-UHFFFAOYSA-N 0 0 326.444 3.109 20 10 EGCDRN Cc1cc(/C=C/C(=O)N2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1 ZINC000273006874 456141839 /nfs/dbraw/zinc/14/18/39/456141839.db2.gz PJAOFQPELLEBAD-BBSZANLASA-N 0 0 338.451 3.337 20 10 EGCDRN COCCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCCC1 ZINC000188908283 456167515 /nfs/dbraw/zinc/16/75/15/456167515.db2.gz FYNJTGCWVGMVQS-UHFFFAOYSA-N 0 0 332.444 3.075 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C2CC2)cnc1Cl ZINC000281242929 456176065 /nfs/dbraw/zinc/17/60/65/456176065.db2.gz PRKMMXHVUJWONL-JTQLQIEISA-N 0 0 346.814 3.385 20 10 EGCDRN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000289922593 456182017 /nfs/dbraw/zinc/18/20/17/456182017.db2.gz UZHMPIBZTRBXOU-SOVGHPHASA-N 0 0 342.395 3.117 20 10 EGCDRN OC1CCN(c2ccc(CNc3nnc(C4CC4)s3)cc2F)CC1 ZINC000301713331 456194798 /nfs/dbraw/zinc/19/47/98/456194798.db2.gz YTDHVDDFVOAGAX-UHFFFAOYSA-N 0 0 348.447 3.128 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@H](C)C3)cc2)CC1 ZINC000271268659 456198582 /nfs/dbraw/zinc/19/85/82/456198582.db2.gz NZUVBYJDDSUSDH-SJLPKXTDSA-N 0 0 345.487 3.290 20 10 EGCDRN CC1CCN(c2ccc(CNc3nccc(N(C)C)n3)cc2)CC1 ZINC000301747358 456205859 /nfs/dbraw/zinc/20/58/59/456205859.db2.gz ZCNATGPDBCZMRR-UHFFFAOYSA-N 0 0 325.460 3.391 20 10 EGCDRN Cc1ccc(O)c(CNc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000281341339 456206960 /nfs/dbraw/zinc/20/69/60/456206960.db2.gz LYDBXLJLEUUWSU-IBGZPJMESA-N 0 0 340.423 3.231 20 10 EGCDRN COc1ccc(N2CCC(Nc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000301753432 456207221 /nfs/dbraw/zinc/20/72/21/456207221.db2.gz BWIMJBHZTNDREK-UHFFFAOYSA-N 0 0 349.438 3.302 20 10 EGCDRN CCOc1ccccc1OCCCC(=O)NCCc1ccc(N)cc1 ZINC000236968471 456210989 /nfs/dbraw/zinc/21/09/89/456210989.db2.gz POQYATNNDUGXFC-UHFFFAOYSA-N 0 0 342.439 3.185 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000273359712 456225853 /nfs/dbraw/zinc/22/58/53/456225853.db2.gz DMWKREFUOOLULE-JDFRZJQESA-N 0 0 335.444 3.423 20 10 EGCDRN COCCOc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273405896 456228634 /nfs/dbraw/zinc/22/86/34/456228634.db2.gz OKBYRSYIUFVACU-ZDUSSCGKSA-N 0 0 346.383 3.176 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)c2ncc(C)s2)c1 ZINC000273456027 456231963 /nfs/dbraw/zinc/23/19/63/456231963.db2.gz PQKOMPJAKBZHKJ-ZYHUDNBSSA-N 0 0 334.441 3.398 20 10 EGCDRN CCOCCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000273501096 456234620 /nfs/dbraw/zinc/23/46/20/456234620.db2.gz QFBKOJVWUPSNAI-CQSZACIVSA-N 0 0 335.444 3.426 20 10 EGCDRN C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273529581 456236358 /nfs/dbraw/zinc/23/63/58/456236358.db2.gz VZFAPFZYXRBGCB-FZKQIMNGSA-N 0 0 342.395 3.465 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273565463 456239310 /nfs/dbraw/zinc/23/93/10/456239310.db2.gz JKGOOSYLEBTTLE-GFCCVEGCSA-N 0 0 343.383 3.335 20 10 EGCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2cc(C)cc(C)c2)cn1 ZINC000274989009 456268432 /nfs/dbraw/zinc/26/84/32/456268432.db2.gz HRMZNZKVGKQYFZ-UHFFFAOYSA-N 0 0 337.427 3.197 20 10 EGCDRN COC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000275111148 456270023 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CC(C)CCN(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065698367 1292088341 /nfs/dbraw/zinc/08/83/41/1292088341.db2.gz UATOVGVBJGKJOO-MRXNPFEDSA-N 0 0 333.476 3.272 20 10 EGCDRN C[C@H](NC(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000068462850 1292203158 /nfs/dbraw/zinc/20/31/58/1292203158.db2.gz YPSRERKVMJCMHY-INIZCTEOSA-N 0 0 339.439 3.084 20 10 EGCDRN COc1cccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)c1O ZINC000068489175 1292204799 /nfs/dbraw/zinc/20/47/99/1292204799.db2.gz RMDHHRBBFVXXLU-NSHDSACASA-N 0 0 335.787 3.138 20 10 EGCDRN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C12CCC2 ZINC000074602356 1292357308 /nfs/dbraw/zinc/35/73/08/1292357308.db2.gz VUYFVEIGGBXLFJ-AFAVFJNCSA-N 0 0 348.443 3.109 20 10 EGCDRN COc1ccc(N(C)C[C@@H]2CN(C3CCCCC3)C(=O)O2)cc1OC ZINC000827808465 1292379412 /nfs/dbraw/zinc/37/94/12/1292379412.db2.gz HJUTWLPECVYTSM-MRXNPFEDSA-N 0 0 348.443 3.294 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCOC(C)C ZINC000075416806 1292392751 /nfs/dbraw/zinc/39/27/51/1292392751.db2.gz 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CCCn1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C1CC1 ZINC000834044343 1293070833 /nfs/dbraw/zinc/07/08/33/1293070833.db2.gz MWRGIRRGGBJFSA-YWEYNIOJSA-N 0 0 327.384 3.234 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)CC(C)(C)CO)c2C)cc1 ZINC000834052956 1293072344 /nfs/dbraw/zinc/07/23/44/1293072344.db2.gz LAYWSZKLKYMKKE-UHFFFAOYSA-N 0 0 344.455 3.193 20 10 EGCDRN CCOC(=O)Cc1cnc(NCc2c(O)ccc(Cl)c2F)s1 ZINC000834482607 1293103522 /nfs/dbraw/zinc/10/35/22/1293103522.db2.gz KBQNWNOJJQWNML-UHFFFAOYSA-N 0 0 344.795 3.359 20 10 EGCDRN O=C(/C=C/c1cccnc1)N1CCc2ccc(Br)cc21 ZINC000112265910 1293123465 /nfs/dbraw/zinc/12/34/65/1293123465.db2.gz WKFPIACLZAZVFI-ZZXKWVIFSA-N 0 0 329.197 3.447 20 10 EGCDRN C[C@@H](NCc1nn(C)cc1Cl)c1cc(Br)ccc1O ZINC000834884000 1293163467 /nfs/dbraw/zinc/16/34/67/1293163467.db2.gz VXKOIOHCUMXMRS-MRVPVSSYSA-N 0 0 344.640 3.392 20 10 EGCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834890350 1293165367 /nfs/dbraw/zinc/16/53/67/1293165367.db2.gz 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CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000877675493 1299471047 /nfs/dbraw/zinc/47/10/47/1299471047.db2.gz RPGYXJFGFFXPTC-ZDUSSCGKSA-N 0 0 331.243 3.190 20 10 EGCDRN Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000751240613 1299527971 /nfs/dbraw/zinc/52/79/71/1299527971.db2.gz TYCRDDOAMRQBDY-UHFFFAOYSA-N 0 0 325.817 3.175 20 10 EGCDRN Cc1nc(C)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)o1 ZINC000751306528 1299535975 /nfs/dbraw/zinc/53/59/75/1299535975.db2.gz WEFSKESWVRXWTB-UHFFFAOYSA-N 0 0 333.351 3.253 20 10 EGCDRN Cc1noc(Cl)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000751320257 1299538499 /nfs/dbraw/zinc/53/84/99/1299538499.db2.gz GTDRSCMHGXKXJJ-UHFFFAOYSA-N 0 0 347.846 3.436 20 10 EGCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000751415796 1299547806 /nfs/dbraw/zinc/54/78/06/1299547806.db2.gz XXMLDHXFSGUVEE-UHFFFAOYSA-N 0 0 349.452 3.078 20 10 EGCDRN COc1cccc(C2=N/C(=C/c3ccc4c(c3)CCN4C)C(=O)O2)c1 ZINC000751521755 1299561879 /nfs/dbraw/zinc/56/18/79/1299561879.db2.gz AKJDWZOUGISUMQ-GZTJUZNOSA-N 0 0 334.375 3.032 20 10 EGCDRN CC(C)(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751935485 1299656560 /nfs/dbraw/zinc/65/65/60/1299656560.db2.gz BFSXTGRVAJOTIR-UHFFFAOYSA-N 0 0 332.425 3.088 20 10 EGCDRN COC(=O)CN(C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C1CC1 ZINC000752506940 1299750219 /nfs/dbraw/zinc/75/02/19/1299750219.db2.gz CTBAVAHCQVDTCQ-UHFFFAOYSA-N 0 0 344.386 3.011 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)ncn3C)cc1 ZINC000753100734 1299870384 /nfs/dbraw/zinc/87/03/84/1299870384.db2.gz WOZUTGXEVKJUIA-UHFFFAOYSA-N 0 0 336.439 3.350 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)/C=C3\CC[C@H](C)C3)CC2)cc1 ZINC000753581926 1299979972 /nfs/dbraw/zinc/97/99/72/1299979972.db2.gz GMUWLSVWEADBDF-UYTDBDHRSA-N 0 0 328.456 3.480 20 10 EGCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Cl)ccc1Cl ZINC000753711163 1300009249 /nfs/dbraw/zinc/00/92/49/1300009249.db2.gz HPJFEVMWNYGUIW-XYOKQWHBSA-N 0 0 343.235 3.296 20 10 EGCDRN Cc1cnc([C@@H](C)CNC(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000754323341 1300123670 /nfs/dbraw/zinc/12/36/70/1300123670.db2.gz LWSKYMIFCKKBRS-ZDUSSCGKSA-N 0 0 346.500 3.429 20 10 EGCDRN Cc1ncc([N+](=O)[O-])n1CCN(C)c1ccc(-c2nccs2)cc1 ZINC000878706378 1300154953 /nfs/dbraw/zinc/15/49/53/1300154953.db2.gz FMDCLDZVYHQUTD-UHFFFAOYSA-N 0 0 343.412 3.360 20 10 EGCDRN O=C(COC1CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754539240 1300160827 /nfs/dbraw/zinc/16/08/27/1300160827.db2.gz XKNNDMJJZGVITP-UHFFFAOYSA-N 0 0 349.386 3.360 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCC(C)(C)[C@@H](O)C(C)C)cc1 ZINC000754570413 1300166251 /nfs/dbraw/zinc/16/62/51/1300166251.db2.gz VYGIVAUMNQUZET-SFHVURJKSA-N 0 0 349.519 3.375 20 10 EGCDRN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756366716 1300476807 /nfs/dbraw/zinc/47/68/07/1300476807.db2.gz IHPANGUENOYEGO-NSHDSACASA-N 0 0 329.356 3.110 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c1 ZINC000756372075 1300478319 /nfs/dbraw/zinc/47/83/19/1300478319.db2.gz NZWBFWNNRUOMIS-KSSFIOAISA-N 0 0 342.439 3.132 20 10 EGCDRN C[C@@H]([NH2+]CCN1CCCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756395675 1300483276 /nfs/dbraw/zinc/48/32/76/1300483276.db2.gz FQWVOQCZMJJLMJ-LLVKDONJSA-N 0 0 345.256 3.430 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000756410324 1300485855 /nfs/dbraw/zinc/48/58/55/1300485855.db2.gz GSKGRQUOJBEUDO-KKUMJFAQSA-N 0 0 334.460 3.092 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2OC(C)C)c1 ZINC000756419224 1300487133 /nfs/dbraw/zinc/48/71/33/1300487133.db2.gz DOIQHRXJSOSYKX-ZDUSSCGKSA-N 0 0 344.411 3.212 20 10 EGCDRN C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756417072 1300487440 /nfs/dbraw/zinc/48/74/40/1300487440.db2.gz OUNUZDQUANGCHO-LLVKDONJSA-N 0 0 340.414 3.358 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2c(F)cccc2F)c1 ZINC000756421916 1300487464 /nfs/dbraw/zinc/48/74/64/1300487464.db2.gz JVIIHGOXGWWTAU-NSHDSACASA-N 0 0 335.350 3.350 20 10 EGCDRN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756445836 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332.213 3.369 20 10 EGCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756576949 1300525303 /nfs/dbraw/zinc/52/53/03/1300525303.db2.gz WNHNQBKBZVJIMJ-FZNYLWTLSA-N 0 0 334.229 3.351 20 10 EGCDRN C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756626929 1300534934 /nfs/dbraw/zinc/53/49/34/1300534934.db2.gz DZUKNCQHLAHHBG-GHMZBOCLSA-N 0 0 345.256 3.286 20 10 EGCDRN C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756626932 1300535535 /nfs/dbraw/zinc/53/55/35/1300535535.db2.gz DZUKNCQHLAHHBG-QWRGUYRKSA-N 0 0 345.256 3.286 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756637436 1300538875 /nfs/dbraw/zinc/53/88/75/1300538875.db2.gz NMDMPVAZMXXFSJ-SECBINFHSA-N 0 0 327.197 3.483 20 10 EGCDRN C[C@H]([NH2+]CC1(CO)CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756638902 1300539109 /nfs/dbraw/zinc/53/91/09/1300539109.db2.gz WVYFJSPNHJJMMR-QMMMGPOBSA-N 0 0 334.641 3.231 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756673880 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CCCCOc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000841100241 1321218482 /nfs/dbraw/zinc/21/84/82/1321218482.db2.gz HTCPOSUTOOQILX-UHFFFAOYSA-N 0 0 341.411 3.333 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3c(c2)CCN3)c1 ZINC000841271516 1321242887 /nfs/dbraw/zinc/24/28/87/1321242887.db2.gz FKHFSHJRKPGOEX-LLVKDONJSA-N 0 0 327.384 3.252 20 10 EGCDRN COc1ccc(C(C)(C)CNC(=O)Nc2ccc(N)cc2)cc1OC ZINC000841299443 1321249120 /nfs/dbraw/zinc/24/91/20/1321249120.db2.gz DFKDCRVTGVGMLQ-UHFFFAOYSA-N 0 0 343.427 3.385 20 10 EGCDRN Nc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000841301318 1321249600 /nfs/dbraw/zinc/24/96/00/1321249600.db2.gz KRBIKPIHZOCWFL-SFHVURJKSA-N 0 0 325.412 3.482 20 10 EGCDRN Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000841301831 1321249637 /nfs/dbraw/zinc/24/96/37/1321249637.db2.gz DZSKSVRACABTAM-MRXNPFEDSA-N 0 0 339.395 3.409 20 10 EGCDRN Nc1ccc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000841300123 1321249856 /nfs/dbraw/zinc/24/98/56/1321249856.db2.gz OEQQCFWEYKFFKR-GOSISDBHSA-N 0 0 325.412 3.173 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCCN2 ZINC000841301935 1321250807 /nfs/dbraw/zinc/25/08/07/1321250807.db2.gz BFFYXEPYIMFNML-LBPRGKRZSA-N 0 0 341.411 3.209 20 10 EGCDRN COc1cc2c(c(OC)c1)N(C(=O)/C=C\c1cnccc1C)CCC2 ZINC000841332991 1321259052 /nfs/dbraw/zinc/25/90/52/1321259052.db2.gz LBORCXGHEIOLFY-SREVYHEPSA-N 0 0 338.407 3.400 20 10 EGCDRN COc1cc2c(c(OC)c1)N(C(=O)/C=C\c1scnc1C)CCC2 ZINC000841333884 1321259216 /nfs/dbraw/zinc/25/92/16/1321259216.db2.gz UGZWUXHVVDUPEA-SREVYHEPSA-N 0 0 344.436 3.461 20 10 EGCDRN CC(C)(CCNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841736683 1321305015 /nfs/dbraw/zinc/30/50/15/1321305015.db2.gz GXDHVOQAOWOMAU-UHFFFAOYSA-N 0 0 325.456 3.478 20 10 EGCDRN Nc1ccc(CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000841893543 1321328189 /nfs/dbraw/zinc/32/81/89/1321328189.db2.gz LQOKNRJFGSPDFC-DLBZAZTESA-N 0 0 329.831 3.320 20 10 EGCDRN CCCN(C(=O)NCCc1ccc(N)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000841957201 1321332184 /nfs/dbraw/zinc/33/21/84/1321332184.db2.gz GJIVEHNPJHPPSY-MSOLQXFVSA-N 0 0 347.503 3.437 20 10 EGCDRN CC(C)(COCc1ccccc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841960092 1321332243 /nfs/dbraw/zinc/33/22/43/1321332243.db2.gz VBFNSYWUTGKVSK-UHFFFAOYSA-N 0 0 341.455 3.106 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)[C@@H]2CCCCCN2C1=O ZINC000842265564 1321366877 /nfs/dbraw/zinc/36/68/77/1321366877.db2.gz VKDMKPQTXPKZFI-QAPCUYQASA-N 0 0 343.471 3.199 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000842922310 1321449048 /nfs/dbraw/zinc/44/90/48/1321449048.db2.gz BEZAYCXIYCNMRL-SJKOYZFVSA-N 0 0 347.386 3.092 20 10 EGCDRN C[C@H](C(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1)c1cnn(C)c1 ZINC000843021435 1321457848 /nfs/dbraw/zinc/45/78/48/1321457848.db2.gz PPERIXZTBJAVNU-ZDUSSCGKSA-N 0 0 337.423 3.500 20 10 EGCDRN CCC[N@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCN(C)C1 ZINC000843422743 1321516540 /nfs/dbraw/zinc/51/65/40/1321516540.db2.gz RQRHWFHLRGUZFJ-CYBMUJFWSA-N 0 0 327.266 3.071 20 10 EGCDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)Cc1ccc(N)cc1)CCC2 ZINC000843495759 1321522735 /nfs/dbraw/zinc/52/27/35/1321522735.db2.gz QXNOGIMMYJWKJD-HNNXBMFYSA-N 0 0 329.469 3.366 20 10 EGCDRN CSc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000843766791 1321545708 /nfs/dbraw/zinc/54/57/08/1321545708.db2.gz SLXMNXWETCBLDA-UHFFFAOYSA-N 0 0 327.453 3.334 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCc2ncncc2C1 ZINC000843881451 1321554937 /nfs/dbraw/zinc/55/49/37/1321554937.db2.gz VMHXHCKENLXMFX-OAHLLOKOSA-N 0 0 339.439 3.116 20 10 EGCDRN CC[C@@H](C)C[C@H](CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000844029918 1321567076 /nfs/dbraw/zinc/56/70/76/1321567076.db2.gz ATVQTMVIEPGSIC-CZUORRHYSA-N 0 0 329.444 3.016 20 10 EGCDRN Nc1ccc(CC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 ZINC000844204310 1321578607 /nfs/dbraw/zinc/57/86/07/1321578607.db2.gz QFDZXOXFEXAUFT-UHFFFAOYSA-N 0 0 342.414 3.158 20 10 EGCDRN COc1ccc(N(C)CC(=O)Nc2cc(C)nn2C(C)(C)C)cc1 ZINC000844353316 1321592586 /nfs/dbraw/zinc/59/25/86/1321592586.db2.gz MLHHHTGPQAYSFF-UHFFFAOYSA-N 0 0 330.432 3.030 20 10 EGCDRN C[C@@H](COCC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000844358117 1321593155 /nfs/dbraw/zinc/59/31/55/1321593155.db2.gz UZVMWQBIVFDCJE-HNNXBMFYSA-N 0 0 344.430 3.328 20 10 EGCDRN CC[C@@H]1COC(C)(C)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844888252 1321654725 /nfs/dbraw/zinc/65/47/25/1321654725.db2.gz SHOIUNTWTHTVCI-QGZVFWFLSA-N 0 0 345.487 3.386 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCC(F)(F)C1 ZINC000845261322 1321689940 /nfs/dbraw/zinc/68/99/40/1321689940.db2.gz ICMJMVLTFGJZJR-AWEZNQCLSA-N 0 0 339.430 3.433 20 10 EGCDRN CNC(=O)CCSCC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000845336690 1321700330 /nfs/dbraw/zinc/70/03/30/1321700330.db2.gz NWXSUGLFSGTPAP-UHFFFAOYSA-N 0 0 344.480 3.455 20 10 EGCDRN C[C@@H](COCC1CC1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000845578475 1321719853 /nfs/dbraw/zinc/71/98/53/1321719853.db2.gz GPOIZNKVSJAXGS-HNNXBMFYSA-N 0 0 345.487 3.242 20 10 EGCDRN COc1ccc(CNC(=O)NCCC[C@@H]2CC2(Cl)Cl)c(O)c1 ZINC000845675821 1321733504 /nfs/dbraw/zinc/73/35/04/1321733504.db2.gz YLZYLQUYSCGWLG-LLVKDONJSA-N 0 0 347.242 3.174 20 10 EGCDRN O=C(NCc1cccc(Br)c1O)NC1CC2(CCC2)C1 ZINC000845726195 1321736142 /nfs/dbraw/zinc/73/61/42/1321736142.db2.gz NVUQTIFVPWOUGK-UHFFFAOYSA-N 0 0 339.233 3.287 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@]2(C)CCOC2)c1 ZINC000859369450 1328977076 /nfs/dbraw/zinc/97/70/76/1328977076.db2.gz DACMQUPYHDWFOQ-HXUWFJFHSA-N 0 0 340.423 3.063 20 10 EGCDRN CC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](CC)CO1 ZINC000846027768 1321763135 /nfs/dbraw/zinc/76/31/35/1321763135.db2.gz QMOBKNIAJKCGMR-IRXDYDNUSA-N 0 0 336.451 3.052 20 10 EGCDRN C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000846206648 1321776207 /nfs/dbraw/zinc/77/62/07/1321776207.db2.gz RPTLIQNMCVQZPZ-VHSXEESVSA-N 0 0 343.254 3.361 20 10 EGCDRN CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@H](C)CO1 ZINC000846430745 1321786095 /nfs/dbraw/zinc/78/60/95/1321786095.db2.gz DHEZALMTCNDBFF-HOCLYGCPSA-N 0 0 327.428 3.129 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc3cc[nH]c32)cc1 ZINC000846445662 1321787115 /nfs/dbraw/zinc/78/71/15/1321787115.db2.gz COLCBWRBRIDTEI-UHFFFAOYSA-N 0 0 337.423 3.385 20 10 EGCDRN CN(C)c1cccc(CCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000846472597 1321787531 /nfs/dbraw/zinc/78/75/31/1321787531.db2.gz AYXLDBJRWODHJV-UHFFFAOYSA-N 0 0 332.831 3.361 20 10 EGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCN(c2ccccc2)C1 ZINC000846475654 1321788155 /nfs/dbraw/zinc/78/81/55/1321788155.db2.gz DRCRMVIZXSRQCA-ZDUSSCGKSA-N 0 0 330.815 3.188 20 10 EGCDRN Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c(O)c1O ZINC000846965080 1321828954 /nfs/dbraw/zinc/82/89/54/1321828954.db2.gz RUCCICFIRUKONJ-KKBVYLPWSA-N 0 0 347.455 3.198 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000848045331 1321926745 /nfs/dbraw/zinc/92/67/45/1321926745.db2.gz FOQXBFWNJWMDGX-UHFFFAOYSA-N 0 0 339.395 3.417 20 10 EGCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccccn2)c(C)n1-c1ccccn1 ZINC000848312323 1321951306 /nfs/dbraw/zinc/95/13/06/1321951306.db2.gz UYZNUEOCZJJWMJ-CQSZACIVSA-N 0 0 334.423 3.245 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000848564885 1321976943 /nfs/dbraw/zinc/97/69/43/1321976943.db2.gz RFXHNDPULFRPGN-IUCAKERBSA-N 0 0 341.242 3.036 20 10 EGCDRN CN(C)c1ccc(C[N@H+](CC(=O)[O-])C2CCC2)c(C(F)(F)F)c1 ZINC000848640026 1321983966 /nfs/dbraw/zinc/98/39/66/1321983966.db2.gz MNHWDRIIQWGPDV-UHFFFAOYSA-N 0 0 330.350 3.211 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2Cc3cc(F)c(F)cc3C2)cc1OC ZINC000848773371 1322006498 /nfs/dbraw/zinc/00/64/98/1322006498.db2.gz XGANJIRNWZPRHX-UHFFFAOYSA-N 0 0 336.294 3.410 20 10 EGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)NC2(CCC(C)CC2)C1=O ZINC000849354771 1322116972 /nfs/dbraw/zinc/11/69/72/1322116972.db2.gz VVGNHCQLVIJJSJ-BIWSTMPVSA-N 0 0 329.444 3.314 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCCCO2)cc1 ZINC000920344182 1322165968 /nfs/dbraw/zinc/16/59/68/1322165968.db2.gz PABWAAIIUIGVAK-SFHVURJKSA-N 0 0 333.476 3.243 20 10 EGCDRN Cc1cc(C(=O)NN2[C@H](C)CCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000920424383 1322176231 /nfs/dbraw/zinc/17/62/31/1322176231.db2.gz DAWNCLKVCLBAGD-ZIAGYGMSSA-N 0 0 326.444 3.397 20 10 EGCDRN C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000920437354 1322177655 /nfs/dbraw/zinc/17/76/55/1322177655.db2.gz QLIXUZWFDRRQAE-RDJZCZTQSA-N 0 0 348.462 3.495 20 10 EGCDRN CC(=O)NCCCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000920446916 1322178573 /nfs/dbraw/zinc/17/85/73/1322178573.db2.gz GGVPOELAAIJWBL-UHFFFAOYSA-N 0 0 347.846 3.004 20 10 EGCDRN Cc1cc(C(=O)OCc2nnc(C3CC3)o2)c(C)n1-c1ccccn1 ZINC000920521792 1322189497 /nfs/dbraw/zinc/18/94/97/1322189497.db2.gz WJWUOOCUNLDIRC-UHFFFAOYSA-N 0 0 338.367 3.107 20 10 EGCDRN C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(N2CCOCC2)cc1 ZINC000920880540 1322230507 /nfs/dbraw/zinc/23/05/07/1322230507.db2.gz FEQPPHYYWBGBGB-GFCCVEGCSA-N 0 0 334.803 3.261 20 10 EGCDRN CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(F)cc1[O-] ZINC000850561349 1322267978 /nfs/dbraw/zinc/26/79/78/1322267978.db2.gz JBIXXEKPKVLMBU-YJBOKZPZSA-N 0 0 325.424 3.140 20 10 EGCDRN Cc1nc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000850567006 1322269630 /nfs/dbraw/zinc/26/96/30/1322269630.db2.gz WCKBVZHFZWJYGE-CYBMUJFWSA-N 0 0 331.485 3.263 20 10 EGCDRN Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](C3CCCCC3)C2)cc1 ZINC000850859732 1322302940 /nfs/dbraw/zinc/30/29/40/1322302940.db2.gz SYTSJWYAIGPPJD-OAHLLOKOSA-N 0 0 329.444 3.026 20 10 EGCDRN COC(=O)N1CCC(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)CC1 ZINC000851091369 1322333408 /nfs/dbraw/zinc/33/34/08/1322333408.db2.gz BPWRRTBPLXVKIJ-UHFFFAOYSA-N 0 0 344.411 3.179 20 10 EGCDRN COC(=O)c1cnc([C@@H](C)NCc2ccc3c(c2)CCCO3)s1 ZINC000922196628 1322476658 /nfs/dbraw/zinc/47/66/58/1322476658.db2.gz ADQHIWWGXLHQOG-LLVKDONJSA-N 0 0 332.425 3.106 20 10 EGCDRN CC(C)[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn(C)c1 ZINC000922892322 1322642323 /nfs/dbraw/zinc/64/23/23/1322642323.db2.gz AHBOEHHELPSZHI-AWEZNQCLSA-N 0 0 338.795 3.174 20 10 EGCDRN Cc1cc(NCc2c(O)cccc2Cl)ccc1N1CCOCC1=O ZINC000922915070 1322648015 /nfs/dbraw/zinc/64/80/15/1322648015.db2.gz FJUJGEFPWUDCFS-UHFFFAOYSA-N 0 0 346.814 3.329 20 10 EGCDRN CC(C)CC[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851927695 1323116479 /nfs/dbraw/zinc/11/64/79/1323116479.db2.gz DFJFDKATDWEJQY-MRXNPFEDSA-N 0 0 347.503 3.272 20 10 EGCDRN CCCCN(Cc1[nH]nc(C)c1C(=O)OCC)Cc1ccccc1O ZINC000852019517 1323134170 /nfs/dbraw/zinc/13/41/70/1323134170.db2.gz YRESCSMEKXKLAC-UHFFFAOYSA-N 0 0 345.443 3.403 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)c1[O-] ZINC000852456894 1323194098 /nfs/dbraw/zinc/19/40/98/1323194098.db2.gz MUTLUJPDKFAPIF-BZNIZROVSA-N 0 0 325.836 3.231 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NOCC(F)(F)F)c1 ZINC000860202469 1329172202 /nfs/dbraw/zinc/17/22/02/1329172202.db2.gz WPBGNKORXXKGQW-UHFFFAOYSA-N 0 0 340.301 3.130 20 10 EGCDRN Cc1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000853388750 1325089075 /nfs/dbraw/zinc/08/90/75/1325089075.db2.gz MXZXCVIDRYJUEY-CYBMUJFWSA-N 0 0 334.370 3.467 20 10 EGCDRN COCC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000853411693 1325091340 /nfs/dbraw/zinc/09/13/40/1325091340.db2.gz LPHXUFVRTPNIKV-UHFFFAOYSA-N 0 0 331.460 3.045 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNc3cc(C(C)=O)ccn3)C2)cc1 ZINC000853699950 1325149733 /nfs/dbraw/zinc/14/97/33/1325149733.db2.gz SJSLSSVIUOFIIU-HNNXBMFYSA-N 0 0 325.412 3.231 20 10 EGCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000853956410 1325192543 /nfs/dbraw/zinc/19/25/43/1325192543.db2.gz VRTUAAQFYVZMCZ-UHFFFAOYSA-N 0 0 333.413 3.230 20 10 EGCDRN C[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCO)c1ccc(N(C)C)cc1 ZINC000854003218 1325200524 /nfs/dbraw/zinc/20/05/24/1325200524.db2.gz GGWDFCQPHZABHV-RVKKMQEKSA-N 0 0 333.476 3.006 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3ccc(CF)cc3)CC2)cc1 ZINC000854198657 1325227786 /nfs/dbraw/zinc/22/77/86/1325227786.db2.gz NITQOKIMJAZQMR-UHFFFAOYSA-N 0 0 328.387 3.127 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000854375236 1325252798 /nfs/dbraw/zinc/25/27/98/1325252798.db2.gz KEGKRZIZCDGDCR-HZPDHXFCSA-N 0 0 327.428 3.058 20 10 EGCDRN O=C(Nc1ccc(F)cc1OC1CCOCC1)C1=CC(=O)CS1 ZINC000854421164 1325258559 /nfs/dbraw/zinc/25/85/59/1325258559.db2.gz JOOSBRRQSSTCHF-UHFFFAOYSA-N 0 0 337.372 3.403 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)/C=C(/C)c3ccco3)C2)cc1 ZINC000854980984 1325331408 /nfs/dbraw/zinc/33/14/08/1325331408.db2.gz JULNEMJOHQRLIN-RTYFKUQISA-N 0 0 340.423 3.334 20 10 EGCDRN Cc1ccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCC2)c(O)c1O ZINC000855115362 1325346566 /nfs/dbraw/zinc/34/65/66/1325346566.db2.gz SREBZYVPHSARQA-GOSISDBHSA-N 0 0 341.407 3.040 20 10 EGCDRN COc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2O)cc1F ZINC000855742192 1325412682 /nfs/dbraw/zinc/41/26/82/1325412682.db2.gz JWXGWGVCBSVADX-CQSZACIVSA-N 0 0 331.343 3.223 20 10 EGCDRN CCC[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000856212661 1325465104 /nfs/dbraw/zinc/46/51/04/1325465104.db2.gz QQGMNAWAWAOPEF-LJQANCHMSA-N 0 0 332.488 3.336 20 10 EGCDRN CCC(CC)[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211825 1325465375 /nfs/dbraw/zinc/46/53/75/1325465375.db2.gz CBOSYMULCFRMSI-HNNXBMFYSA-N 0 0 332.488 3.336 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cnc2n1CCCCC2 ZINC000856939585 1325545881 /nfs/dbraw/zinc/54/58/81/1325545881.db2.gz HOEWTDKLVJCNML-UHFFFAOYSA-N 0 0 338.455 3.140 20 10 EGCDRN Cc1ccccc1COCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000857086625 1325570806 /nfs/dbraw/zinc/57/08/06/1325570806.db2.gz OOKIETLRBYGNSY-UHFFFAOYSA-N 0 0 330.403 3.033 20 10 EGCDRN Cc1ccccc1COCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000857138844 1325579510 /nfs/dbraw/zinc/57/95/10/1325579510.db2.gz WAPXTXSYGOQVAL-UHFFFAOYSA-N 0 0 339.435 3.412 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccc2c1OCC2 ZINC000927537568 1328050354 /nfs/dbraw/zinc/05/03/54/1328050354.db2.gz WUXVSHDKYIRMGD-UHFFFAOYSA-N 0 0 340.423 3.449 20 10 EGCDRN COc1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[nH]n1 ZINC000861385166 1329415029 /nfs/dbraw/zinc/41/50/29/1329415029.db2.gz JUXUAOMOJUDKPT-UHFFFAOYSA-N 0 0 343.431 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CC(C)(C)CN(CCCO)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171714897 455088376 /nfs/dbraw/zinc/08/83/76/455088376.db2.gz XLSGAKJVFRHEOJ-UHFFFAOYSA-N 0 0 347.503 3.227 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000171732517 455090455 /nfs/dbraw/zinc/09/04/55/455090455.db2.gz GAGSKHMSXFRLQW-QGZVFWFLSA-N 0 0 343.402 3.215 20 10 EGCDRN CS[C@@H]1CCCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000128922498 455091562 /nfs/dbraw/zinc/09/15/62/455091562.db2.gz SHSDIZSJUOKPFI-GOSISDBHSA-N 0 0 345.512 3.490 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(OCCOC)cc1 ZINC000171868776 455098974 /nfs/dbraw/zinc/09/89/74/455098974.db2.gz FNMFQETYPZBTBS-UHFFFAOYSA-N 0 0 343.423 3.470 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2cccnc2)cc1 ZINC000172057007 455115166 /nfs/dbraw/zinc/11/51/66/455115166.db2.gz KSZZFBRKRNPMEE-OAHLLOKOSA-N 0 0 327.428 3.012 20 10 EGCDRN Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237542947 455194473 /nfs/dbraw/zinc/19/44/73/455194473.db2.gz IGWDMUOEDSFSBE-UHFFFAOYSA-N 0 0 343.858 3.122 20 10 EGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000189429440 455195311 /nfs/dbraw/zinc/19/53/11/455195311.db2.gz VVFIOBNJSNWSSP-NSHDSACASA-N 0 0 333.409 3.079 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000183437859 455292228 /nfs/dbraw/zinc/29/22/28/455292228.db2.gz JRWLKSUSBYNYGZ-RYUDHWBXSA-N 0 0 349.814 3.266 20 10 EGCDRN Cc1ccc(OCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000183437650 455292415 /nfs/dbraw/zinc/29/24/15/455292415.db2.gz PUCPVXPNCOEIPD-HNNXBMFYSA-N 0 0 343.423 3.231 20 10 EGCDRN O=C(NCC[C@@H]1CCCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000181039555 455279644 /nfs/dbraw/zinc/27/96/44/455279644.db2.gz MOESFYOADDDMOB-SFHVURJKSA-N 0 0 331.460 3.045 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1ccccc1F ZINC000183460214 455295584 /nfs/dbraw/zinc/29/55/84/455295584.db2.gz NFYLMTVWYFROPT-QWHCGFSZSA-N 0 0 331.387 3.478 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CSc2ccccc21 ZINC000183461046 455296026 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CC(C)(C)c1ncc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)s1 ZINC000175087353 455422586 /nfs/dbraw/zinc/42/25/86/455422586.db2.gz GCKMLTKQVFBDLN-CMDGGOBGSA-N 0 0 341.436 3.439 20 10 EGCDRN CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc(OC)c1O ZINC000175258418 455431483 /nfs/dbraw/zinc/43/14/83/455431483.db2.gz JCJXMBDHWQMPMC-HNNXBMFYSA-N 0 0 329.396 3.183 20 10 EGCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000266756345 455448040 /nfs/dbraw/zinc/44/80/40/455448040.db2.gz HSOJYIRQJHXWKP-WMZOPIPTSA-N 0 0 345.487 3.243 20 10 EGCDRN COc1ccc(CCCN(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000182163457 455450527 /nfs/dbraw/zinc/45/05/27/455450527.db2.gz MIIZEOUWKFPHBQ-UHFFFAOYSA-N 0 0 329.396 3.120 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)NCc3cccn3C)cc2)CC1 ZINC000266825005 455458765 /nfs/dbraw/zinc/45/87/65/455458765.db2.gz XYZLBBJQKRVKIL-UHFFFAOYSA-N 0 0 340.471 3.261 20 10 EGCDRN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(F)cc1[O-] ZINC000184979609 455480161 /nfs/dbraw/zinc/48/01/61/455480161.db2.gz 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455564444 /nfs/dbraw/zinc/56/44/44/455564444.db2.gz ITCHANBKRICYQH-UHFFFAOYSA-N 0 0 346.452 3.368 20 10 EGCDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N[C@]1(CO)CCOC1 ZINC000182715875 455575099 /nfs/dbraw/zinc/57/50/99/455575099.db2.gz ZGBZFKPUCXFNOB-VEGAHXMMSA-N 0 0 340.383 3.375 20 10 EGCDRN Cc1nc(C(C)C)oc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000292284021 455617646 /nfs/dbraw/zinc/61/76/46/455617646.db2.gz YDCXSDOCVAPNQW-UHFFFAOYSA-N 0 0 327.428 3.419 20 10 EGCDRN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cccc(O)c1O ZINC000185824345 455628838 /nfs/dbraw/zinc/62/88/38/455628838.db2.gz GQKSNGRKTJZNNK-QGZVFWFLSA-N 0 0 347.386 3.069 20 10 EGCDRN CC(C)c1ccoc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000284049116 455629358 /nfs/dbraw/zinc/62/93/58/455629358.db2.gz UGWXIPHPAOHQLJ-UHFFFAOYSA-N 0 0 328.412 3.170 20 10 EGCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CC=CCC1 ZINC000277760801 455658363 /nfs/dbraw/zinc/65/83/63/455658363.db2.gz OKQGAPLAVCXHKD-NSHDSACASA-N 0 0 325.206 3.063 20 10 EGCDRN C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000186013504 455674591 /nfs/dbraw/zinc/67/45/91/455674591.db2.gz AEVKIBQCDQQAOB-LBPRGKRZSA-N 0 0 334.366 3.141 20 10 EGCDRN CCNC(=O)COc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1 ZINC000186263066 455728641 /nfs/dbraw/zinc/72/86/41/455728641.db2.gz NZHHNUFTEJRRRD-GFCCVEGCSA-N 0 0 332.375 3.219 20 10 EGCDRN C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(F)cc1[O-] ZINC000186359835 455751460 /nfs/dbraw/zinc/75/14/60/455751460.db2.gz GIHHUPKCWYPZJH-ISWZSGDOSA-N 0 0 330.403 3.407 20 10 EGCDRN COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000284900072 455758748 /nfs/dbraw/zinc/75/87/48/455758748.db2.gz FTABJYHAQQVSNE-QGZVFWFLSA-N 0 0 334.847 3.447 20 10 EGCDRN COc1ccc(N[C@H](C)c2c(C)cc(C)cc2O)cc1-n1cnnn1 ZINC000284917849 455761642 /nfs/dbraw/zinc/76/16/42/455761642.db2.gz CYZDXMOFEYYMLW-CYBMUJFWSA-N 0 0 339.399 3.166 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000292855375 455763718 /nfs/dbraw/zinc/76/37/18/455763718.db2.gz ZPACYKPMWMNRQR-SFHVURJKSA-N 0 0 338.455 3.440 20 10 EGCDRN CCC(CC)n1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000186416358 455764042 /nfs/dbraw/zinc/76/40/42/455764042.db2.gz BGFQMIIQYLRVOX-GFCCVEGCSA-N 0 0 345.443 3.325 20 10 EGCDRN COc1ccc([C@@H](C)CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186431199 455766085 /nfs/dbraw/zinc/76/60/85/455766085.db2.gz NQANLPLFANHREF-UONOGXRCSA-N 0 0 343.423 3.347 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1csc(COC)n1 ZINC000293301848 455781526 /nfs/dbraw/zinc/78/15/26/455781526.db2.gz MYEXWYWISKWPCF-UHFFFAOYSA-N 0 0 349.456 3.117 20 10 EGCDRN CCc1nocc1CN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000294246636 455809249 /nfs/dbraw/zinc/80/92/49/455809249.db2.gz VVMKWWTVPCTDSR-UHFFFAOYSA-N 0 0 338.411 3.312 20 10 EGCDRN Cc1cc(C(=O)N2CC3(C2)CCOC3)c(C)n1-c1ccc(F)cc1 ZINC000294431967 455816088 /nfs/dbraw/zinc/81/60/88/455816088.db2.gz NTHGJAYRSRRJCI-UHFFFAOYSA-N 0 0 328.387 3.096 20 10 EGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000269227340 455816548 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Cc1nc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000269442135 455848390 /nfs/dbraw/zinc/84/83/90/455848390.db2.gz SYMXHVLVOUFHBY-LBPRGKRZSA-N 0 0 349.475 3.403 20 10 EGCDRN CCNC(=O)Nc1ccc(C)c(NCc2cccc(OC)c2O)c1 ZINC000278824446 455849540 /nfs/dbraw/zinc/84/95/40/455849540.db2.gz UIDQXBXRKLLOJY-UHFFFAOYSA-N 0 0 329.400 3.463 20 10 EGCDRN Cc1cc(O)ccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000269599814 455850411 /nfs/dbraw/zinc/85/04/11/455850411.db2.gz XMQOEKCSFPIFDY-RUDMXATFSA-N 0 0 338.407 3.189 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000278922895 455852453 /nfs/dbraw/zinc/85/24/53/455852453.db2.gz VBHGTACAFSVYJP-CQSZACIVSA-N 0 0 332.331 3.225 20 10 EGCDRN O=C(/C=C\c1ccc(Cl)nc1)N(C[C@H]1CCCO1)c1ccncc1 ZINC000255210969 455862967 /nfs/dbraw/zinc/86/29/67/455862967.db2.gz JYXGIAXHZPNBKP-DQOPKJQZSA-N 0 0 343.814 3.355 20 10 EGCDRN COc1cccc(CNC(=O)Cc2nc(C(C)C)c(C)s2)c1O ZINC000279578839 455867637 /nfs/dbraw/zinc/86/76/37/455867637.db2.gz 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COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c1 ZINC000756458141 1300495938 /nfs/dbraw/zinc/49/59/38/1300495938.db2.gz UCBKWQLJHYVKJW-UONOGXRCSA-N 0 0 341.407 3.081 20 10 EGCDRN COc1ccc(OC)c(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756482243 1300503812 /nfs/dbraw/zinc/50/38/12/1300503812.db2.gz IXMVKZYEJWYLGS-GFCCVEGCSA-N 0 0 346.383 3.211 20 10 EGCDRN C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Br)cc(F)c1[O-] ZINC000756568461 1300523145 /nfs/dbraw/zinc/52/31/45/1300523145.db2.gz FPOYZGUPPBOTLK-CLAHSXSESA-N 0 0 332.213 3.105 20 10 EGCDRN C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756576911 1300525927 /nfs/dbraw/zinc/52/59/27/1300525927.db2.gz VTCYILIPLVMJGL-XPTSAGLGSA-N 0 0 332.213 3.371 20 10 EGCDRN C[C@H](NCc1n[nH]cc1Br)c1cc(Cl)ccc1O ZINC000756584013 1300526734 /nfs/dbraw/zinc/52/67/34/1300526734.db2.gz DFJLZAWXKQFSGD-ZETCQYMHSA-N 0 0 330.613 3.382 20 10 EGCDRN Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])[nH]n1 ZINC000756584315 1300527030 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329.831 3.439 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnc(C2CC2)o1 ZINC000880304104 1301042909 /nfs/dbraw/zinc/04/29/09/1301042909.db2.gz VSCAVCGMEOADJG-CYBMUJFWSA-N 0 0 327.428 3.287 20 10 EGCDRN CCc1nnc(C)cc1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000759375325 1301076884 /nfs/dbraw/zinc/07/68/84/1301076884.db2.gz DSQRXUYTBDUEAX-UHFFFAOYSA-N 0 0 344.434 3.263 20 10 EGCDRN C[C@H](CO)CCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000759631827 1301133907 /nfs/dbraw/zinc/13/39/07/1301133907.db2.gz LTBGEDCOPFFMRU-HNNXBMFYSA-N 0 0 346.427 3.106 20 10 EGCDRN CN(C)c1ccc(CNC(=O)c2ccnc(OC3CCC3)c2)cc1F ZINC000760194409 1301233181 /nfs/dbraw/zinc/23/31/81/1301233181.db2.gz XCBKHKIXJUJART-UHFFFAOYSA-N 0 0 343.402 3.148 20 10 EGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC2(C)CC2)cc1 ZINC000760213720 1301235655 /nfs/dbraw/zinc/23/56/55/1301235655.db2.gz SIRSQRVZQUWHMM-SFHVURJKSA-N 0 0 330.472 3.450 20 10 EGCDRN O=C(Cc1ccc(O)cc1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000760596205 1301305102 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ZINC000857365778 1328531032 /nfs/dbraw/zinc/53/10/32/1328531032.db2.gz SCVYBVOPLBVAFO-DOMZBBRYSA-N 0 0 332.469 3.246 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cnc1F ZINC000857629620 1328569150 /nfs/dbraw/zinc/56/91/50/1328569150.db2.gz ZQGSQCWPGWYLJC-AWEZNQCLSA-N 0 0 329.419 3.265 20 10 EGCDRN Cc1cc(C(=O)N2Cc3cnn(C)c3C2)c(C)n1-c1cccc(C)c1 ZINC000857875942 1328612712 /nfs/dbraw/zinc/61/27/12/1328612712.db2.gz ICOAROVSUGZIPP-UHFFFAOYSA-N 0 0 334.423 3.292 20 10 EGCDRN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000802655186 1317023413 /nfs/dbraw/zinc/02/34/13/1317023413.db2.gz RTDDIWJXBIQZCL-SFHVURJKSA-N 0 0 338.423 3.268 20 10 EGCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)s1 ZINC000802778445 1317038716 /nfs/dbraw/zinc/03/87/16/1317038716.db2.gz ARTHESNGCIXIQM-UHFFFAOYSA-N 0 0 331.315 3.151 20 10 EGCDRN CC(C)(C)OCCCC(=O)NCc1cccc(Br)c1O ZINC000803213983 1317091863 /nfs/dbraw/zinc/09/18/63/1317091863.db2.gz KDEDNEYMABTSFL-UHFFFAOYSA-N 0 0 344.249 3.366 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCCOC3)c2C)cc1 ZINC000804288877 1317215865 /nfs/dbraw/zinc/21/58/65/1317215865.db2.gz HUPCCUJTUVLYLB-KRWDZBQOSA-N 0 0 342.439 3.354 20 10 EGCDRN Cc1nnc2c3ccccc3c(NCc3ccc(N(C)C)cc3)nn12 ZINC000804330696 1317219351 /nfs/dbraw/zinc/21/93/51/1317219351.db2.gz BFKYYKCFKYWXRP-UHFFFAOYSA-N 0 0 332.411 3.264 20 10 EGCDRN CN(C)c1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1F ZINC000804391984 1317227750 /nfs/dbraw/zinc/22/77/50/1317227750.db2.gz GRPFIAWWVGIURZ-UHFFFAOYSA-N 0 0 334.307 3.320 20 10 EGCDRN Cc1nc2ccc(NCc3ccc(N4CCC(C)CC4)cc3)nn2n1 ZINC000804442385 1317237233 /nfs/dbraw/zinc/23/72/33/1317237233.db2.gz VYRLAKLEIFJXIQ-UHFFFAOYSA-N 0 0 336.443 3.281 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCCC(C)(C)C ZINC000804721461 1317277400 /nfs/dbraw/zinc/27/74/00/1317277400.db2.gz DHAQLHVMVQDPIN-UHFFFAOYSA-N 0 0 348.487 3.463 20 10 EGCDRN C[C@H](NC(=O)N[C@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000804990002 1317307417 /nfs/dbraw/zinc/30/74/17/1317307417.db2.gz RZZOGRAZXSPYOZ-YOEHRIQHSA-N 0 0 331.460 3.072 20 10 EGCDRN Oc1cccc(Br)c1C[NH2+]CCCNc1ccccn1 ZINC000858148643 1328696405 /nfs/dbraw/zinc/69/64/05/1328696405.db2.gz FSKXPFQGUKGTOF-UHFFFAOYSA-N 0 0 336.233 3.142 20 10 EGCDRN COCCn1nc(C)c(NCc2cc(F)c(N(C)C)cc2F)c1C ZINC000858156124 1328698058 /nfs/dbraw/zinc/69/80/58/1328698058.db2.gz SAPJTOMUHONDNI-UHFFFAOYSA-N 0 0 338.402 3.103 20 10 EGCDRN CC[C@H]([NH2+]CCc1nnc2ccccn21)c1cccc(Cl)c1[O-] ZINC000806127588 1317461879 /nfs/dbraw/zinc/46/18/79/1317461879.db2.gz HBUFHYBEPDJRAR-AWEZNQCLSA-N 0 0 330.819 3.372 20 10 EGCDRN CC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC)C1)c1cccc(Cl)c1[O-] ZINC000806137686 1317463893 /nfs/dbraw/zinc/46/38/93/1317463893.db2.gz QSSVIADIGQFVIQ-SMDDNHRTSA-N 0 0 326.824 3.317 20 10 EGCDRN CC[C@H]([NH2+]C1CN(C(=O)OC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148493 1317466182 /nfs/dbraw/zinc/46/61/82/1317466182.db2.gz HGQRJLXXYAQZPB-LBPRGKRZSA-N 0 0 333.215 3.190 20 10 EGCDRN CC[C@H](Nc1cccc(OCC(N)=O)c1)c1cccc(Cl)c1O ZINC000806152133 1317466477 /nfs/dbraw/zinc/46/64/77/1317466477.db2.gz OSKXFIGHXJWZBS-HNNXBMFYSA-N 0 0 334.803 3.473 20 10 EGCDRN CC[C@@](C[NH2+]Cc1ccc(N(C)C)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000901896070 1317493333 /nfs/dbraw/zinc/49/33/33/1317493333.db2.gz BEKGKHYGRPVWQI-FQEVSTJZSA-N 0 0 344.430 3.414 20 10 EGCDRN O=C([O-])CC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000901972282 1317504197 /nfs/dbraw/zinc/50/41/97/1317504197.db2.gz TYHSFGCTXXNLQV-UHFFFAOYSA-N 0 0 347.415 3.024 20 10 EGCDRN Cc1ccc(OCCCNC(=O)NCc2cc(C)ccc2O)cc1 ZINC000858173230 1328703201 /nfs/dbraw/zinc/70/32/01/1328703201.db2.gz WHSVGWOQPFNYRS-UHFFFAOYSA-N 0 0 328.412 3.277 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCC1(C)C ZINC000806896662 1317535747 /nfs/dbraw/zinc/53/57/47/1317535747.db2.gz JNNVLXVAXTVCQC-QGZVFWFLSA-N 0 0 346.471 3.216 20 10 EGCDRN COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H](CC(=O)[O-])[C@H]3C)C2)cc1 ZINC000902377721 1317570796 /nfs/dbraw/zinc/57/07/96/1317570796.db2.gz GWVBBEAXZITQOT-OAFZBRQQSA-N 0 0 346.471 3.001 20 10 EGCDRN C[C@@H](Nc1ccc2c(n1)CCC2=O)c1ccc(N2CCOCC2)cc1 ZINC000807938485 1317601773 /nfs/dbraw/zinc/60/17/73/1317601773.db2.gz CNXMMHCLEWMZCW-CQSZACIVSA-N 0 0 337.423 3.220 20 10 EGCDRN CC[C@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@@H](C)S1(=O)=O ZINC000808193082 1317643380 /nfs/dbraw/zinc/64/33/80/1317643380.db2.gz GTYSXUWTZAUZRD-ZBFHGGJFSA-N 0 0 339.501 3.222 20 10 EGCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccnc1F ZINC000808272591 1317654920 /nfs/dbraw/zinc/65/49/20/1317654920.db2.gz MWOHSKYMPHBSGO-UHFFFAOYSA-N 0 0 346.317 3.248 20 10 EGCDRN Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000903163038 1317666710 /nfs/dbraw/zinc/66/67/10/1317666710.db2.gz WTUDCOHWZZZPQX-SNVBAGLBSA-N 0 0 331.313 3.406 20 10 EGCDRN C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903239947 1317678885 /nfs/dbraw/zinc/67/88/85/1317678885.db2.gz NMQHUNDPSDTUOT-GFCCVEGCSA-N 0 0 330.388 3.148 20 10 EGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000903310851 1317685771 /nfs/dbraw/zinc/68/57/71/1317685771.db2.gz RMYCODHYUCUBSM-BMLIUANNSA-N 0 0 325.330 3.368 20 10 EGCDRN O=C([O-])C[C@H]([NH2+]Cc1c(O)cccc1Br)C1CCCC1 ZINC000904044032 1317776055 /nfs/dbraw/zinc/77/60/55/1317776055.db2.gz YGHJDEGQUYLWSV-ZDUSSCGKSA-N 0 0 342.233 3.278 20 10 EGCDRN CCOCc1cc(C[NH2+]C[C@H](C(=O)[O-])c2ccccc2)ccc1OC ZINC000904061892 1317781500 /nfs/dbraw/zinc/78/15/00/1317781500.db2.gz YHKUYTBMRSMSQC-SFHVURJKSA-N 0 0 343.423 3.190 20 10 EGCDRN Cc1cc(CNC(=O)N[C@@H](C)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000858250053 1328722003 /nfs/dbraw/zinc/72/20/03/1328722003.db2.gz HZYAGEPWRZELNJ-DOTOQJQBSA-N 0 0 341.455 3.318 20 10 EGCDRN Cc1cc(C(=O)NC[C@H]2COc3ccccc32)c(C)n1-c1ccccn1 ZINC000809224369 1317789701 /nfs/dbraw/zinc/78/97/01/1317789701.db2.gz SDCXSAQSYHFFAY-INIZCTEOSA-N 0 0 347.418 3.395 20 10 EGCDRN CCO[C@H](CCNC(=O)NCc1cc(C)ccc1O)C1CCCC1 ZINC000858266637 1328726120 /nfs/dbraw/zinc/72/61/20/1328726120.db2.gz KUJAVBZLLCFLPO-GOSISDBHSA-N 0 0 334.460 3.485 20 10 EGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ocnc1C1CC1 ZINC000809615159 1317845399 /nfs/dbraw/zinc/84/53/99/1317845399.db2.gz UMHAXIRVBRIWRU-UHFFFAOYSA-N 0 0 343.452 3.035 20 10 EGCDRN CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809709300 1317870494 /nfs/dbraw/zinc/87/04/94/1317870494.db2.gz PLQVOAMCVHTHRE-LLVKDONJSA-N 0 0 344.814 3.237 20 10 EGCDRN Cc1cc(Br)cc(CNc2cccc3c2CNC3=O)c1O ZINC000809721813 1317876220 /nfs/dbraw/zinc/87/62/20/1317876220.db2.gz BORUKYMCOOBLJA-UHFFFAOYSA-N 0 0 347.212 3.319 20 10 EGCDRN C[NH+](C)CCN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCCO1 ZINC000809738043 1317884919 /nfs/dbraw/zinc/88/49/19/1317884919.db2.gz QFSKRBURJKPUNH-CQSZACIVSA-N 0 0 347.286 3.242 20 10 EGCDRN NC(=O)c1csc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000809774954 1317897706 /nfs/dbraw/zinc/89/77/06/1317897706.db2.gz VRAFKJHUKLXMSB-UHFFFAOYSA-N 0 0 331.224 3.149 20 10 EGCDRN COc1cc(Cl)cc(CN2CCC(=O)N(C)c3ccccc32)c1O ZINC000809785805 1317901055 /nfs/dbraw/zinc/90/10/55/1317901055.db2.gz CCWNOBAQWVKKDV-UHFFFAOYSA-N 0 0 346.814 3.427 20 10 EGCDRN CC(C)(C)n1cnc(NCc2cc(Br)cc(F)c2O)n1 ZINC000905411763 1317955914 /nfs/dbraw/zinc/95/59/14/1317955914.db2.gz SMBRDJOXZXAPHK-UHFFFAOYSA-N 0 0 343.200 3.252 20 10 EGCDRN CCCCN(C)C[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000810163347 1317966472 /nfs/dbraw/zinc/96/64/72/1317966472.db2.gz PXSLUVGSBMXHJY-GFCCVEGCSA-N 0 0 329.282 3.365 20 10 EGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000810178010 1317969471 /nfs/dbraw/zinc/96/94/71/1317969471.db2.gz HSFOHTBTAULLNZ-AWEZNQCLSA-N 0 0 328.250 3.104 20 10 EGCDRN CN1CCCc2cc(CNC(=O)COc3cc(F)cc(F)c3)ccc21 ZINC000810266740 1317990574 /nfs/dbraw/zinc/99/05/74/1317990574.db2.gz WUCSGGNCLZCTAV-UHFFFAOYSA-N 0 0 346.377 3.042 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)NCc2cccc(OC(C)(C)C)n2)c1 ZINC000858336535 1328740033 /nfs/dbraw/zinc/74/00/33/1328740033.db2.gz KXDBLHXAZCAISM-UHFFFAOYSA-N 0 0 343.427 3.272 20 10 EGCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000858341658 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COCC1(COC(=O)c2csc(Cc3ccc(N)cc3)n2)CCC1 ZINC000812592511 1318415326 /nfs/dbraw/zinc/41/53/26/1318415326.db2.gz RZQUWLNVPVYTHZ-UHFFFAOYSA-N 0 0 346.452 3.290 20 10 EGCDRN CC(C)Cn1c(C2CCOCC2)nnc1N(C)Cc1ccccc1O ZINC000909566448 1318494457 /nfs/dbraw/zinc/49/44/57/1318494457.db2.gz OUFNSPVXKDSDML-UHFFFAOYSA-N 0 0 344.459 3.170 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCCCC(=O)C1 ZINC000813491462 1318578270 /nfs/dbraw/zinc/57/82/70/1318578270.db2.gz YCWHMPHALPOKBA-HNNXBMFYSA-N 0 0 329.440 3.427 20 10 EGCDRN O=C(NCc1ccc(O)c(O)c1)c1c(F)cc(C(F)(F)F)cc1F ZINC000813489069 1318578329 /nfs/dbraw/zinc/57/83/29/1318578329.db2.gz NCRHERJVAFBZBD-UHFFFAOYSA-N 0 0 347.239 3.325 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(Cl)c1F ZINC000813513220 1318583046 /nfs/dbraw/zinc/58/30/46/1318583046.db2.gz KKYRIMFXLLIBJY-SNVBAGLBSA-N 0 0 337.778 3.180 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCn2c(cc3ccccc32)C1 ZINC000813790770 1318633106 /nfs/dbraw/zinc/63/31/06/1318633106.db2.gz 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/nfs/dbraw/zinc/69/93/03/1318699303.db2.gz ATECBTSDIPWBRI-UHFFFAOYSA-N 0 0 328.412 3.263 20 10 EGCDRN CCc1nc(C)c(C(=O)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000814319725 1318723162 /nfs/dbraw/zinc/72/31/62/1318723162.db2.gz OMKGJTIFXNQVSF-UHFFFAOYSA-N 0 0 345.468 3.029 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)/C(F)=C(\C)C3CC3)C2)cc1 ZINC000911275449 1318733269 /nfs/dbraw/zinc/73/32/69/1318733269.db2.gz GIMJRCCYMSHVDM-VVTMIQRTSA-N 0 0 332.419 3.291 20 10 EGCDRN CCC1(CNC(=O)NCc2cc(C)n(-c3ccccc3)c2C)COC1 ZINC000858519563 1328786570 /nfs/dbraw/zinc/78/65/70/1328786570.db2.gz GEVKAPMHGVQQRW-UHFFFAOYSA-N 0 0 341.455 3.320 20 10 EGCDRN Cc1cc(Cn2nc(-c3ccc(F)cc3)oc2=O)ccc1N(C)C ZINC000814736328 1318808449 /nfs/dbraw/zinc/80/84/49/1318808449.db2.gz NCQDUGMNKYLEGC-UHFFFAOYSA-N 0 0 327.359 3.065 20 10 EGCDRN COc1ccc2c(c1)CCCCN2Cc1nc(COC(C)C)no1 ZINC000930143465 1328797137 /nfs/dbraw/zinc/79/71/37/1328797137.db2.gz QQZKWJOQTKFFJE-UHFFFAOYSA-N 0 0 331.416 3.346 20 10 EGCDRN 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CCOc1ccc(C2=CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000193151684 455743990 /nfs/dbraw/zinc/74/39/90/455743990.db2.gz XVRMPJZLUIKLFL-UHFFFAOYSA-N 0 0 339.391 3.426 20 10 EGCDRN NC(=O)c1ccc(C[N@H+](Cc2cccc(Cl)c2[O-])C2CC2)cc1 ZINC000271751241 455746705 /nfs/dbraw/zinc/74/67/05/455746705.db2.gz VPKPPXFXJFORMG-UHFFFAOYSA-N 0 0 330.815 3.309 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC000186399005 455761113 /nfs/dbraw/zinc/76/11/13/455761113.db2.gz OMOQIPNNXKDZTR-GHMZBOCLSA-N 0 0 335.350 3.227 20 10 EGCDRN Cc1cc(CN2CCn3c(nnc3-c3ccccc3)C2)ccc1N(C)C ZINC000292843585 455762787 /nfs/dbraw/zinc/76/27/87/455762787.db2.gz PVVKEPFQNSAXGM-UHFFFAOYSA-N 0 0 347.466 3.335 20 10 EGCDRN COc1ccc(C[C@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186414199 455763429 /nfs/dbraw/zinc/76/34/29/455763429.db2.gz NNVFNQHEJMRNDO-UONOGXRCSA-N 0 0 343.423 3.032 20 10 EGCDRN Cc1cc(C)c(OCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000186418677 455764277 /nfs/dbraw/zinc/76/42/77/455764277.db2.gz RSIHWDGTVTUALT-HNNXBMFYSA-N 0 0 343.423 3.149 20 10 EGCDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186442295 455770586 /nfs/dbraw/zinc/77/05/86/455770586.db2.gz UNAWWHSKQVHUAH-FPMFFAJLSA-N 0 0 331.437 3.319 20 10 EGCDRN Cc1cc(C(=O)NCC2([C@H](O)C(C)C)CC2)c(C)n1-c1ccccn1 ZINC000271812523 455771444 /nfs/dbraw/zinc/77/14/44/455771444.db2.gz FLNAQFNDOYUXOD-GOSISDBHSA-N 0 0 341.455 3.016 20 10 EGCDRN COc1cc(O)c(CNc2cccc(NC(=O)C3CC3)c2)cc1OC ZINC000271826310 455775622 /nfs/dbraw/zinc/77/56/22/455775622.db2.gz PWFXAUCWKDGDKU-UHFFFAOYSA-N 0 0 342.395 3.370 20 10 EGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N(C1CCC1)C1CCC1 ZINC000293632177 455793824 /nfs/dbraw/zinc/79/38/24/455793824.db2.gz FKPQXLHTTHIUDY-FMIVXFBMSA-N 0 0 340.467 3.470 20 10 EGCDRN CC(C)c1[nH]ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000285136179 455793976 /nfs/dbraw/zinc/79/39/76/455793976.db2.gz WNQXMDOOVPMJAC-UHFFFAOYSA-N 0 0 341.455 3.247 20 10 EGCDRN CSCc1cnc(CN2CCOc3cc(N(C)C)ccc32)s1 ZINC000293712746 455796383 /nfs/dbraw/zinc/79/63/83/455796383.db2.gz UVRZSCPATZQODW-UHFFFAOYSA-N 0 0 335.498 3.471 20 10 EGCDRN COc1c([O-])c(C[NH2+]C[C@@H](C)Oc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278310088 455813852 /nfs/dbraw/zinc/81/38/52/455813852.db2.gz DYXMCXAFRGCJCA-CYBMUJFWSA-N 0 0 346.383 3.175 20 10 EGCDRN CCOc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)on1 ZINC000294475318 455817143 /nfs/dbraw/zinc/81/71/43/455817143.db2.gz QKGXHXUYDCTOIQ-UHFFFAOYSA-N 0 0 343.427 3.336 20 10 EGCDRN CC[C@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000294475154 455817601 /nfs/dbraw/zinc/81/76/01/455817601.db2.gz QINPBRLBZHRAHR-PKOBYXMFSA-N 0 0 330.472 3.308 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn2c1CCC2 ZINC000294595255 455821964 /nfs/dbraw/zinc/82/19/64/455821964.db2.gz YUTKEXWXVUYIRP-UHFFFAOYSA-N 0 0 338.455 3.092 20 10 EGCDRN CCS[C@@H](C)c1noc(CSc2ncc(C(=O)OC)s2)n1 ZINC000294930915 455832198 /nfs/dbraw/zinc/83/21/98/455832198.db2.gz CXXQWAPSXRNFDE-ZETCQYMHSA-N 0 0 345.471 3.419 20 10 EGCDRN COc1cc(C)c([C@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1OC ZINC000294934163 455832511 /nfs/dbraw/zinc/83/25/11/455832511.db2.gz USFNMKDAQNERJL-JTQLQIEISA-N 0 0 349.358 3.054 20 10 EGCDRN CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278463793 455836557 /nfs/dbraw/zinc/83/65/57/455836557.db2.gz FPCZTUNQRYQCOP-TZMCWYRMSA-N 0 0 340.445 3.463 20 10 EGCDRN CCOc1ccc(O)c(CNc2cccc(NC(=O)N(C)C)c2)c1 ZINC000295056834 455836986 /nfs/dbraw/zinc/83/69/86/455836986.db2.gz PXTNQPHETFBWTI-UHFFFAOYSA-N 0 0 329.400 3.497 20 10 EGCDRN COc1c([O-])c(C[NH2+]CCOC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000278536004 455839076 /nfs/dbraw/zinc/83/90/76/455839076.db2.gz WAUVCKOJEHDLIT-UHFFFAOYSA-N 0 0 338.404 3.138 20 10 EGCDRN Cc1cc(C)c([C@@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c(O)c1 ZINC000285412070 455839842 /nfs/dbraw/zinc/83/98/42/455839842.db2.gz XTOYDLFYPCJLEM-CYBMUJFWSA-N 0 0 325.412 3.373 20 10 EGCDRN CCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278575155 455840520 /nfs/dbraw/zinc/84/05/20/455840520.db2.gz DKJFFIHAGHQDEY-UHFFFAOYSA-N 0 0 346.383 3.388 20 10 EGCDRN CCO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000278631268 455843020 /nfs/dbraw/zinc/84/30/20/455843020.db2.gz IEPIDPVOPAIMDC-INIZCTEOSA-N 0 0 346.383 3.176 20 10 EGCDRN CCCOc1ccc(CNc2ccc3c(c2)N(C(N)=O)CC3)c(O)c1 ZINC000278777675 455847974 /nfs/dbraw/zinc/84/79/74/455847974.db2.gz PIPDGSIJRUBTEK-UHFFFAOYSA-N 0 0 341.411 3.234 20 10 EGCDRN Fc1cnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1 ZINC000269487156 455848267 /nfs/dbraw/zinc/84/82/67/455848267.db2.gz NGTJYOCJCLFVLU-LBPRGKRZSA-N 0 0 338.333 3.298 20 10 EGCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N2CC[C@@H](O)C2)cc1 ZINC000269618676 455850546 /nfs/dbraw/zinc/85/05/46/455850546.db2.gz TXYCALWSRYKOPN-FVGNFYTDSA-N 0 0 338.411 3.375 20 10 EGCDRN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278851931 455850713 /nfs/dbraw/zinc/85/07/13/455850713.db2.gz VPXQCAPYNOVXFA-VFZGTOFNSA-N 0 0 334.243 3.137 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H](C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000278893964 455852243 /nfs/dbraw/zinc/85/22/43/455852243.db2.gz QDWRSGGWPAWPTR-NSHDSACASA-N 0 0 334.347 3.169 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCSC(C)(C)CC2)cc1OC ZINC000278927014 455854043 /nfs/dbraw/zinc/85/40/43/455854043.db2.gz USAHICSHPOWBTC-UHFFFAOYSA-N 0 0 326.418 3.334 20 10 EGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)OC1CCCC1 ZINC000295669823 455857211 /nfs/dbraw/zinc/85/72/11/455857211.db2.gz RGPHUKFZSFHWLA-UHFFFAOYSA-N 0 0 332.444 3.064 20 10 EGCDRN CN(C)c1ccc(CNC(=O)Nc2ccccc2OCCF)cc1 ZINC000296130092 455869884 /nfs/dbraw/zinc/86/98/84/455869884.db2.gz CCAYTHSFPIQGPA-UHFFFAOYSA-N 0 0 331.391 3.423 20 10 EGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCC(=O)Nc2ccccc21 ZINC000255883016 455875028 /nfs/dbraw/zinc/87/50/28/455875028.db2.gz SKOPIGAWYBULQL-VURMDHGXSA-N 0 0 327.771 3.124 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@](C)(COC)C2)cc1 ZINC000296185872 455875631 /nfs/dbraw/zinc/87/56/31/455875631.db2.gz CNZOLTCWZGLECG-LJQANCHMSA-N 0 0 333.476 3.101 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)CCc2ccccc2N)cc1 ZINC000279867963 455875690 /nfs/dbraw/zinc/87/56/90/455875690.db2.gz QKZIBCOUSAHKBP-UHFFFAOYSA-N 0 0 325.456 3.364 20 10 EGCDRN C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280085706 455887764 /nfs/dbraw/zinc/88/77/64/455887764.db2.gz AJHLWCGEKDVKED-YCDSQXFLSA-N 0 0 348.434 3.113 20 10 EGCDRN CC(C)c1nnc(CN[C@H](C)c2cc(Br)ccc2O)[nH]1 ZINC000296357431 455917270 /nfs/dbraw/zinc/91/72/70/455917270.db2.gz IPPNGOMQJGGZIP-SECBINFHSA-N 0 0 339.237 3.247 20 10 EGCDRN CCn1cc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000296416947 455932920 /nfs/dbraw/zinc/93/29/20/455932920.db2.gz SCZHGIAYSGOUNL-HNNXBMFYSA-N 0 0 341.459 3.064 20 10 EGCDRN CCc1nocc1CN(C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000296447094 455940973 /nfs/dbraw/zinc/94/09/73/455940973.db2.gz VBOSNRJAHCJGSJ-UHFFFAOYSA-N 0 0 344.459 3.425 20 10 EGCDRN C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000280421287 455967893 /nfs/dbraw/zinc/96/78/93/455967893.db2.gz ZFAVJSPLVVCPLC-FXAWDEMLSA-N 0 0 330.472 3.057 20 10 EGCDRN CC[C@@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000272487690 455968334 /nfs/dbraw/zinc/96/83/34/455968334.db2.gz RTBNOONSXOKPBD-QFBILLFUSA-N 0 0 330.472 3.449 20 10 EGCDRN CC[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(F)cc1[O-] ZINC000286075850 455972316 /nfs/dbraw/zinc/97/23/16/455972316.db2.gz MCPSUUXWLFLYMJ-KRWDZBQOSA-N 0 0 346.402 3.098 20 10 EGCDRN CCc1cc(NCc2cc(OC)ccc2O)nc(-c2ccncc2)n1 ZINC000301286319 456082332 /nfs/dbraw/zinc/08/23/32/456082332.db2.gz OLIXFYOMHJDGFQ-UHFFFAOYSA-N 0 0 336.395 3.427 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2COc3ccccc32)c1[O-] ZINC000288592889 456100383 /nfs/dbraw/zinc/10/03/83/456100383.db2.gz OWLDMHBOKQVRDY-NSHDSACASA-N 0 0 334.759 3.220 20 10 EGCDRN C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000288818387 456106122 /nfs/dbraw/zinc/10/61/22/456106122.db2.gz JYLBRPBNLILYNC-QRWLVFNGSA-N 0 0 349.434 3.384 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N(C)C2CCC(F)(F)CC2)cc1 ZINC000289102181 456114233 /nfs/dbraw/zinc/11/42/33/456114233.db2.gz PSLZBDBVQUVJFR-UHFFFAOYSA-N 0 0 325.403 3.472 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCc3c(cccc3OC)C2)cc1OC ZINC000272942598 456119143 /nfs/dbraw/zinc/11/91/43/456119143.db2.gz VXHQWUHQDZFLBC-UHFFFAOYSA-N 0 0 344.367 3.183 20 10 EGCDRN CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCCO1 ZINC000297116265 456123690 /nfs/dbraw/zinc/12/36/90/456123690.db2.gz GEFURRZMQZYPQC-IBGZPJMESA-N 0 0 343.471 3.019 20 10 EGCDRN O=C(c1ocnc1C1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000289399337 456124445 /nfs/dbraw/zinc/12/44/45/456124445.db2.gz OLFSFLHWPNMABD-OAHLLOKOSA-N 0 0 342.395 3.079 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC[C@H](O)c2ccccc2)c1[O-] ZINC000289567718 456131104 /nfs/dbraw/zinc/13/11/04/456131104.db2.gz ZJVKXQPWBMHOCP-HNNXBMFYSA-N 0 0 336.775 3.167 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)OC3CCOCC3)cc2)CC1 ZINC000289721774 456138555 /nfs/dbraw/zinc/13/85/55/456138555.db2.gz ILTBPCKYBIHTIY-UHFFFAOYSA-N 0 0 332.444 3.328 20 10 EGCDRN COc1ccc(N2CCCN(c3nc(C(C)C)ns3)CC2)cc1 ZINC000301530822 456139541 /nfs/dbraw/zinc/13/95/41/456139541.db2.gz RSOCZNOURDDIOQ-UHFFFAOYSA-N 0 0 332.473 3.387 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)c2ccccn2)c1 ZINC000297230929 456156297 /nfs/dbraw/zinc/15/62/97/456156297.db2.gz HVJAFSGMILISLB-ZDUSSCGKSA-N 0 0 328.412 3.202 20 10 EGCDRN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000271207184 456173050 /nfs/dbraw/zinc/17/30/50/456173050.db2.gz WOGXWZVQVFSKSY-LBPRGKRZSA-N 0 0 344.238 3.474 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000297290565 456174711 /nfs/dbraw/zinc/17/47/11/456174711.db2.gz LTPXVRYHYYVLAO-NWDGAFQWSA-N 0 0 344.367 3.499 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)N[C@H]3CCO[C@H](C)C3)cc2)CC1 ZINC000271268657 456198638 /nfs/dbraw/zinc/19/86/38/456198638.db2.gz NZUVBYJDDSUSDH-AEFFLSMTSA-N 0 0 345.487 3.290 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1 ZINC000273393165 456226530 /nfs/dbraw/zinc/22/65/30/456226530.db2.gz LICVTXOQNPILSY-MLGOLLRUSA-N 0 0 348.468 3.194 20 10 EGCDRN CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273390251 456227031 /nfs/dbraw/zinc/22/70/31/456227031.db2.gz KKKQUDWDJFFLLH-GFCCVEGCSA-N 0 0 331.372 3.333 20 10 EGCDRN COCC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccco1 ZINC000273411067 456228192 /nfs/dbraw/zinc/22/81/92/456228192.db2.gz HWYSOQUGQJCQNK-WFASDCNBSA-N 0 0 333.384 3.200 20 10 EGCDRN C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273412838 456229102 /nfs/dbraw/zinc/22/91/02/456229102.db2.gz QEDOWEJPZRXRRA-GFCCVEGCSA-N 0 0 340.383 3.460 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2N(C)C)c1 ZINC000273458031 456232019 /nfs/dbraw/zinc/23/20/19/456232019.db2.gz HMWVKWQZQJKZAG-ZDUSSCGKSA-N 0 0 328.412 3.096 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000273474280 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Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000752025323 1299682036 /nfs/dbraw/zinc/68/20/36/1299682036.db2.gz XHUKRBMRVCVGCQ-IEBWSBKVSA-N 0 0 347.503 3.311 20 10 EGCDRN CC[C@@H](C)c1nnc([C@H](C)NCc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000752925538 1299822189 /nfs/dbraw/zinc/82/21/89/1299822189.db2.gz LUKKLOFADGBJKG-CABCVRRESA-N 0 0 343.475 3.006 20 10 EGCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc1 ZINC000753093926 1299867976 /nfs/dbraw/zinc/86/79/76/1299867976.db2.gz HPKZFDKTVRZICG-UHFFFAOYSA-N 0 0 342.354 3.418 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(-n2cccc2)nc1 ZINC000753287871 1299909983 /nfs/dbraw/zinc/90/99/83/1299909983.db2.gz VTJRAICQMHTLHJ-UHFFFAOYSA-N 0 0 346.434 3.403 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(-n2cccc2)nc1 ZINC000753337996 1299919609 /nfs/dbraw/zinc/91/96/09/1299919609.db2.gz ARZKCRGQJJAVQE-UHFFFAOYSA-N 0 0 347.418 3.387 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)/C=C3/CC[C@@H](C)C3)CC2)cc1 ZINC000753581918 1299980660 /nfs/dbraw/zinc/98/06/60/1299980660.db2.gz GMUWLSVWEADBDF-CFBLSMTOSA-N 0 0 328.456 3.480 20 10 EGCDRN Cc1cc(C(=O)N2CCOC[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000754200293 1300105708 /nfs/dbraw/zinc/10/57/08/1300105708.db2.gz DPCPOTDKOFCVBL-CYBMUJFWSA-N 0 0 330.403 3.342 20 10 EGCDRN Cc1cc(C(=O)CN(CCCO)C2CC2)c(C)n1-c1cccc(F)c1 ZINC000754649177 1300181412 /nfs/dbraw/zinc/18/14/12/1300181412.db2.gz BUCVDJYEMQKFNZ-UHFFFAOYSA-N 0 0 344.430 3.263 20 10 EGCDRN Cc1cc(C)c(O)c(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000754740852 1300205608 /nfs/dbraw/zinc/20/56/08/1300205608.db2.gz ITFGGEBLMJUQMF-UHFFFAOYSA-N 0 0 333.453 3.045 20 10 EGCDRN COc1ccc(N2CCN(C(=O)Nc3ccsc3)CC2)c(OC)c1 ZINC000878911179 1300258507 /nfs/dbraw/zinc/25/85/07/1300258507.db2.gz FSMRKPMYTCARIA-UHFFFAOYSA-N 0 0 347.440 3.119 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@]2(C)CCCO2)cc1 ZINC000755229898 1300303894 /nfs/dbraw/zinc/30/38/94/1300303894.db2.gz HWJPBVQDEPOAEX-IBGZPJMESA-N 0 0 333.476 3.243 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc2c(c1)COC2 ZINC000755494332 1300346943 /nfs/dbraw/zinc/34/69/43/1300346943.db2.gz UTWBIKDLMZHVRX-UHFFFAOYSA-N 0 0 325.408 3.404 20 10 EGCDRN COC(=O)[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@H]1C ZINC000755564591 1300358445 /nfs/dbraw/zinc/35/84/45/1300358445.db2.gz MREXIJOONKVCRO-BXUZGUMPSA-N 0 0 346.452 3.037 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCOc2ccccc2F)c1 ZINC000756412401 1300485743 /nfs/dbraw/zinc/48/57/43/1300485743.db2.gz SSMYMGNSCGTYNE-CYBMUJFWSA-N 0 0 347.386 3.438 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCOc2cccc(F)c2)c1 ZINC000756443041 1300492517 /nfs/dbraw/zinc/49/25/17/1300492517.db2.gz GTOPRUXBNJHLRS-LBPRGKRZSA-N 0 0 333.359 3.048 20 10 EGCDRN C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(F)cc(F)c1[O-] ZINC000756526739 1300514983 /nfs/dbraw/zinc/51/49/83/1300514983.db2.gz NVZORBVGEKTRTM-SECBINFHSA-N 0 0 338.320 3.348 20 10 EGCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC000756575249 1300525488 /nfs/dbraw/zinc/52/54/88/1300525488.db2.gz ODAIVHLHQHRWTI-GHMZBOCLSA-N 0 0 344.371 3.203 20 10 EGCDRN C[C@H]([NH2+]CCN1CCSCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756575544 1300525587 /nfs/dbraw/zinc/52/55/87/1300525587.db2.gz HLCZCWKHJMHEIU-JTQLQIEISA-N 0 0 335.300 3.398 20 10 EGCDRN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756608699 1300530722 /nfs/dbraw/zinc/53/07/22/1300530722.db2.gz LJEDBYIERZDGBB-TVQRCGJNSA-N 0 0 334.229 3.351 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)c1 ZINC000756613137 1300531765 /nfs/dbraw/zinc/53/17/65/1300531765.db2.gz XYOTWSBYNJFHQS-QWHCGFSZSA-N 0 0 347.386 3.436 20 10 EGCDRN C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000756618288 1300532361 /nfs/dbraw/zinc/53/23/61/1300532361.db2.gz RZDIVLFDMXUFFS-QWRGUYRKSA-N 0 0 345.256 3.429 20 10 EGCDRN C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756639790 1300538461 /nfs/dbraw/zinc/53/84/61/1300538461.db2.gz FDWKDXWUARGQKJ-QMMMGPOBSA-N 0 0 340.210 3.044 20 10 EGCDRN C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756705840 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/nfs/dbraw/zinc/00/08/50/219000850.db2.gz DWHNDKBTHMYWRB-SJLPKXTDSA-N 0 0 341.455 3.112 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298875020 132395474 /nfs/dbraw/zinc/39/54/74/132395474.db2.gz ZXLFWJPLMCIATB-UHFFFAOYSA-N 0 0 342.399 3.185 20 10 EGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000156943879 224744820 /nfs/dbraw/zinc/74/48/20/224744820.db2.gz PVDWSJUMTOUTRB-LBPRGKRZSA-N 0 0 343.427 3.277 20 10 EGCDRN CCOC(=O)[C@@H]1CCN(C(=O)/C=C/c2cncs2)c2ccccc21 ZINC000493031637 311319374 /nfs/dbraw/zinc/31/93/74/311319374.db2.gz ZOYOREZXYORMQK-MVGZEHJDSA-N 0 0 342.420 3.240 20 10 EGCDRN O=C(/C=C\c1cncs1)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000493361522 311365551 /nfs/dbraw/zinc/36/55/51/311365551.db2.gz ASHBCMDMAIISIZ-PLNGDYQASA-N 0 0 328.372 3.252 20 10 EGCDRN COc1cncc(/C=C/C(=O)N2CCC[C@@H](O)c3cc(F)ccc32)c1 ZINC000493754155 311425700 /nfs/dbraw/zinc/42/57/00/311425700.db2.gz YHKKCOKPUFJLTC-WEBJUUICSA-N 0 0 342.370 3.103 20 10 EGCDRN CS(=O)(=O)CCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000185215183 455522205 /nfs/dbraw/zinc/52/22/05/455522205.db2.gz IFBZNEFKXMRWNA-UHFFFAOYSA-N 0 0 340.272 3.004 20 10 EGCDRN C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185450146 455558973 /nfs/dbraw/zinc/55/89/73/455558973.db2.gz QQNRYGYDCPHWMS-NSHDSACASA-N 0 0 347.286 3.460 20 10 EGCDRN CC[C@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1cccc(Cl)c1[O-] ZINC000287611874 456073031 /nfs/dbraw/zinc/07/30/31/456073031.db2.gz JHGRUDZGWBDAQA-IOASZLSFSA-N 0 0 326.868 3.196 20 10 EGCDRN CCN(Cc1ccc(C(=O)NC)cc1)c1ccc(OC)c(OC)c1 ZINC000264494931 455224251 /nfs/dbraw/zinc/22/42/51/455224251.db2.gz FVJOATVHHZWGJO-UHFFFAOYSA-N 0 0 328.412 3.090 20 10 EGCDRN Nc1ccc(CC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1 ZINC000237919800 455233675 /nfs/dbraw/zinc/23/36/75/455233675.db2.gz ZJMBYYVCCXZMKP-UHFFFAOYSA-N 0 0 331.366 3.328 20 10 EGCDRN CC(C)Oc1ccc(/C=C/C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000157817711 455234709 /nfs/dbraw/zinc/23/47/09/455234709.db2.gz QRXQMADSBKQMOT-UXBLZVDNSA-N 0 0 341.407 3.257 20 10 EGCDRN COc1ccc(N(C)CCOCC(F)(F)C(F)F)c(OC)c1 ZINC000189746162 455237403 /nfs/dbraw/zinc/23/74/03/455237403.db2.gz KCLXMQSYPQVSDK-UHFFFAOYSA-N 0 0 325.302 3.057 20 10 EGCDRN CCc1nn(C)c(CC)c1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000180758569 455239594 /nfs/dbraw/zinc/23/95/94/455239594.db2.gz WHQWPBIFSJPNAH-UHFFFAOYSA-N 0 0 347.459 3.207 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCSC[C@@H]1c1ccccc1 ZINC000180785839 455245217 /nfs/dbraw/zinc/24/52/17/455245217.db2.gz NGKXJVDNDHPUBB-MNDMWVCDSA-N 0 0 341.432 3.428 20 10 EGCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1cccc(F)c1 ZINC000173191159 455245409 /nfs/dbraw/zinc/24/54/09/455245409.db2.gz XZJSPSMAPFISKX-ZDUSSCGKSA-N 0 0 328.387 3.421 20 10 EGCDRN Cc1cccc(O[C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173206546 455247921 /nfs/dbraw/zinc/24/79/21/455247921.db2.gz XBLVKQSAMKSERV-OAHLLOKOSA-N 0 0 340.423 3.254 20 10 EGCDRN C(=C/c1ccc(N2CCOCC2)cc1)\c1nc(Cc2ccccn2)no1 ZINC000264627982 455251895 /nfs/dbraw/zinc/25/18/95/455251895.db2.gz SEDXVOIDCMTYTG-RMKNXTFCSA-N 0 0 348.406 3.062 20 10 EGCDRN CC(C)(C)NC(=O)c1ccccc1NC(=O)NCc1ccccc1O ZINC000265481874 455333099 /nfs/dbraw/zinc/33/30/99/455333099.db2.gz SNUZVELNHMUVDE-UHFFFAOYSA-N 0 0 341.411 3.242 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ncccc2C)cc1F ZINC000066978565 453892057 /nfs/dbraw/zinc/89/20/57/453892057.db2.gz UWUMEFCGQIGLFN-UHFFFAOYSA-N 0 0 344.434 3.375 20 10 EGCDRN O=C1/C(=C/c2cccc3c2OCCCO3)SC(=S)N1C1CC1 ZINC000055181887 453968110 /nfs/dbraw/zinc/96/81/10/453968110.db2.gz HKVKANVMIHYRMW-LCYFTJDESA-N 0 0 333.434 3.212 20 10 EGCDRN COc1ccc(N2CCN(c3nc4ccccc4o3)CC2)cc1F ZINC000084929038 454016445 /nfs/dbraw/zinc/01/64/45/454016445.db2.gz QZHZSECJWKHNSY-UHFFFAOYSA-N 0 0 327.359 3.302 20 10 EGCDRN Cn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000076991266 454058080 /nfs/dbraw/zinc/05/80/80/454058080.db2.gz DTQUXWRTEDERNJ-UHFFFAOYSA-N 0 0 340.471 3.248 20 10 EGCDRN COC(=O)c1ccc(C)c(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000043387908 454059556 /nfs/dbraw/zinc/05/95/56/454059556.db2.gz MSSOOOAIAPNPJY-UHFFFAOYSA-N 0 0 341.411 3.169 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)N3CCC(C)CC3)CC2)cc1 ZINC000069739869 454139417 /nfs/dbraw/zinc/13/94/17/454139417.db2.gz UQUHYEAOVUDLJZ-UHFFFAOYSA-N 0 0 331.460 3.106 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(Br)cc1 ZINC000072270254 454280165 /nfs/dbraw/zinc/28/01/65/454280165.db2.gz VBMQHPSGGSMVAF-UHFFFAOYSA-N 0 0 349.228 3.496 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000120272011 454280588 /nfs/dbraw/zinc/28/05/88/454280588.db2.gz QXHZABONNJDJOP-OAHLLOKOSA-N 0 0 348.443 3.140 20 10 EGCDRN COc1cc(Cl)cc(CN(C)Cc2ncc(Cl)n2C)c1O ZINC000184713193 455434703 /nfs/dbraw/zinc/43/47/03/455434703.db2.gz QCYAGLUSLXYISR-UHFFFAOYSA-N 0 0 330.215 3.073 20 10 EGCDRN COc1ccc(N2CCC(Nc3cncc(SC)n3)CC2)cc1 ZINC000132060532 454310392 /nfs/dbraw/zinc/31/03/92/454310392.db2.gz YYQOWIMOBFFPMO-UHFFFAOYSA-N 0 0 330.457 3.288 20 10 EGCDRN CC1(C)C(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000073817317 454487350 /nfs/dbraw/zinc/48/73/50/454487350.db2.gz SKNOWSAARYLIGQ-UHFFFAOYSA-N 0 0 344.499 3.194 20 10 EGCDRN COc1cccc(C2(NC(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000133963796 454487914 /nfs/dbraw/zinc/48/79/14/454487914.db2.gz PXTSWOJYNYWFLP-UHFFFAOYSA-N 0 0 339.439 3.250 20 10 EGCDRN COc1cccc(CNC(=O)NCC2(C)Cc3ccccc3C2)c1O ZINC000091936198 454491839 /nfs/dbraw/zinc/49/18/39/454491839.db2.gz MQMAQJBQQDSMDC-UHFFFAOYSA-N 0 0 340.423 3.005 20 10 EGCDRN Cc1nc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)cs1 ZINC000048484493 454493590 /nfs/dbraw/zinc/49/35/90/454493590.db2.gz WMEGOIJNQIEGNJ-UHFFFAOYSA-N 0 0 344.484 3.094 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)C[C@H](C)O ZINC000266769105 455450540 /nfs/dbraw/zinc/45/05/40/455450540.db2.gz IIFQHXYAJZPLIT-INIZCTEOSA-N 0 0 349.519 3.470 20 10 EGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cscn2)cc1 ZINC000103077164 454535474 /nfs/dbraw/zinc/53/54/74/454535474.db2.gz HMYIWLKGQLPDIT-MRXNPFEDSA-N 0 0 345.468 3.031 20 10 EGCDRN COc1ccc(N(CCCS(C)(=O)=O)Cc2ccccc2)cc1 ZINC000103139503 454539500 /nfs/dbraw/zinc/53/95/00/454539500.db2.gz WVGJHKRFMBMHSU-UHFFFAOYSA-N 0 0 333.453 3.137 20 10 EGCDRN O=[N+]([O-])c1c(NCCCSc2nccs2)nc2sccn21 ZINC000074277186 454554136 /nfs/dbraw/zinc/55/41/36/454554136.db2.gz GIULHVRBNJTMBH-UHFFFAOYSA-N 0 0 341.443 3.355 20 10 EGCDRN CCCN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000074841156 454644849 /nfs/dbraw/zinc/64/48/49/454644849.db2.gz LQUNYBJNYRRVIF-CYBMUJFWSA-N 0 0 341.402 3.308 20 10 EGCDRN CC1CCN(c2cccc(NC(=O)c3cccc(C(N)=O)c3)c2)CC1 ZINC000124532754 454744627 /nfs/dbraw/zinc/74/46/27/454744627.db2.gz ZAQCFCKYYGSDNT-UHFFFAOYSA-N 0 0 337.423 3.274 20 10 EGCDRN COc1cc(C(=O)Nc2cccc(N3CCCC3)c2)cc(OC)c1O ZINC000136743261 454754375 /nfs/dbraw/zinc/75/43/75/454754375.db2.gz QPYVPOLTCVNQCY-UHFFFAOYSA-N 0 0 342.395 3.262 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)CC[C@@H]3CCCO3)cc2)CC1 ZINC000108295214 454792202 /nfs/dbraw/zinc/79/22/02/454792202.db2.gz GUEGNUILTBJAJR-IBGZPJMESA-N 0 0 330.472 3.498 20 10 EGCDRN COc1cc(N(C)CCCCCn2cccn2)cc(OC)c1OC ZINC000125720924 454841107 /nfs/dbraw/zinc/84/11/07/454841107.db2.gz JHBOYFDGQGPQTE-UHFFFAOYSA-N 0 0 333.432 3.216 20 10 EGCDRN COc1cc(N(C)C[C@H](O)c2ccc(F)cc2)cc(OC)c1OC ZINC000125715227 454841436 /nfs/dbraw/zinc/84/14/36/454841436.db2.gz NGJAGKZZIBJQAL-HNNXBMFYSA-N 0 0 335.375 3.021 20 10 EGCDRN COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000184883562 455466027 /nfs/dbraw/zinc/46/60/27/455466027.db2.gz HEZMUGZEAJNYAT-LLVKDONJSA-N 0 0 335.375 3.408 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000182241306 455470243 /nfs/dbraw/zinc/47/02/43/455470243.db2.gz LUFFPEAQASVTPH-OAQYLSRUSA-N 0 0 340.467 3.399 20 10 EGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCCCO2)cc1 ZINC000126847344 454921792 /nfs/dbraw/zinc/92/17/92/454921792.db2.gz HKXRIVNMMYFIJU-HNNXBMFYSA-N 0 0 344.377 3.213 20 10 EGCDRN Cc1cc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(C)n1-c1ccccn1 ZINC000151130638 454942368 /nfs/dbraw/zinc/94/23/68/454942368.db2.gz PMYLUHOTPWKAEV-WBAXXEDZSA-N 0 0 339.439 3.032 20 10 EGCDRN CC1CCC(=CC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000114681335 454968698 /nfs/dbraw/zinc/96/86/98/454968698.db2.gz PDPWAIVIKMMGQF-UHFFFAOYSA-N 0 0 328.456 3.276 20 10 EGCDRN O=C(C[C@H]1CSCCS1)NCc1ccc(N2CCCC2)cc1 ZINC000179110239 455009567 /nfs/dbraw/zinc/00/95/67/455009567.db2.gz UOFVJOGEQIQOSQ-INIZCTEOSA-N 0 0 336.526 3.142 20 10 EGCDRN O=C(C[C@H](O)c1cccc(F)c1)NCc1ccc(N2CCCC2)cc1 ZINC000179684981 455067210 /nfs/dbraw/zinc/06/72/10/455067210.db2.gz VKHQOUQELOTSND-IBGZPJMESA-N 0 0 342.414 3.166 20 10 EGCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000156133167 455084251 /nfs/dbraw/zinc/08/42/51/455084251.db2.gz NEVPAWRDNPRMMQ-FUHWJXTLSA-N 0 0 339.439 3.177 20 10 EGCDRN CCN(C)c1ccc([C@H](C)Nc2ccc(OCC(=O)NC)cc2)cc1 ZINC000179827282 455085443 /nfs/dbraw/zinc/08/54/43/455085443.db2.gz OOODUMBHURCANF-HNNXBMFYSA-N 0 0 341.455 3.441 20 10 EGCDRN CC(C)Oc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(F)c1 ZINC000128969598 455092779 /nfs/dbraw/zinc/09/27/79/455092779.db2.gz TVKRJRQACDGHAV-UHFFFAOYSA-N 0 0 348.374 3.388 20 10 EGCDRN CCN(CC)c1ccc(CN2CCCN(C(=O)C3CC3)CC2)cc1F ZINC000119059091 455123289 /nfs/dbraw/zinc/12/32/89/455123289.db2.gz SQCGZNLILHRSCG-UHFFFAOYSA-N 0 0 347.478 3.116 20 10 EGCDRN CCOc1cccc(CNc2ccccc2N2CCC(O)CC2)c1O ZINC000180053527 455123792 /nfs/dbraw/zinc/12/37/92/455123792.db2.gz BOQKWOFLXMEUMQ-UHFFFAOYSA-N 0 0 342.439 3.364 20 10 EGCDRN O=C(NCCc1ccc(O)c(O)c1)C1(c2cccc(F)c2)CCC1 ZINC000156726969 455146889 /nfs/dbraw/zinc/14/68/89/455146889.db2.gz SYOWECNTOZXJBH-UHFFFAOYSA-N 0 0 329.371 3.018 20 10 EGCDRN CCN(Cc1csnn1)Cc1cc(Br)ccc1O ZINC000180221445 455149424 /nfs/dbraw/zinc/14/94/24/455149424.db2.gz IKWAUFGKGJROLN-UHFFFAOYSA-N 0 0 328.235 3.028 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)NCc2nc(C3CC3)cs2)cc1 ZINC000157174207 455170262 /nfs/dbraw/zinc/17/02/62/455170262.db2.gz DHZNDTDOWSLTAC-UHFFFAOYSA-N 0 0 344.484 3.428 20 10 EGCDRN COc1ccc(O)c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000180472106 455176011 /nfs/dbraw/zinc/17/60/11/455176011.db2.gz LDRAJEJURKBZEW-QGZVFWFLSA-N 0 0 327.424 3.440 20 10 EGCDRN CCOc1ccc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183420147 455290049 /nfs/dbraw/zinc/29/00/49/455290049.db2.gz MHBRIJRHOXUJGJ-AWEZNQCLSA-N 0 0 343.423 3.177 20 10 EGCDRN Cc1cc(C(=O)Nc2cccc(N3CCCC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000264055280 455188622 /nfs/dbraw/zinc/18/86/22/455188622.db2.gz AQIXEVDTXLDJJV-UHFFFAOYSA-N 0 0 340.383 3.338 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc3c(s2)CCOC3)cc1 ZINC000264229418 455194341 /nfs/dbraw/zinc/19/43/41/455194341.db2.gz XORHHZFODMACKY-UHFFFAOYSA-N 0 0 330.453 3.159 20 10 EGCDRN COCCc1ccccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000189559400 455218898 /nfs/dbraw/zinc/21/88/98/455218898.db2.gz IGNAOGUGBYDERG-UHFFFAOYSA-N 0 0 327.428 3.263 20 10 EGCDRN Cc1cc(C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c(C)n1-c1ccccc1 ZINC000265575531 455345128 /nfs/dbraw/zinc/34/51/28/455345128.db2.gz FKHLVRHTOAHVGO-OZYPNJIESA-N 0 0 344.480 3.076 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000184032082 455348953 /nfs/dbraw/zinc/34/89/53/455348953.db2.gz KEIVVFKGWQPKJH-HKUYNNGSSA-N 0 0 343.471 3.044 20 10 EGCDRN C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1nccs1 ZINC000184233049 455364461 /nfs/dbraw/zinc/36/44/61/455364461.db2.gz VZKUOSAOEVAXMW-ZDUSSCGKSA-N 0 0 344.484 3.128 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3CC=CC3)cc2F)C[C@@H](C)O1 ZINC000265796043 455382641 /nfs/dbraw/zinc/38/26/41/455382641.db2.gz PIDUKYRXLNQGFK-ZIAGYGMSSA-N 0 0 332.419 3.022 20 10 EGCDRN CC(C)CC(=O)NCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000265911080 455404763 /nfs/dbraw/zinc/40/47/63/455404763.db2.gz UCDXNBUXPYEMRC-UHFFFAOYSA-N 0 0 347.503 3.042 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@H]3CCOC3)ccc21 ZINC000266138675 455423692 /nfs/dbraw/zinc/42/36/92/455423692.db2.gz TUMABYHURPFJKU-YOEHRIQHSA-N 0 0 344.455 3.059 20 10 EGCDRN Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000184852750 455460153 /nfs/dbraw/zinc/46/01/53/455460153.db2.gz DAYJNMZGALCGBT-RDJZCZTQSA-N 0 0 346.496 3.486 20 10 EGCDRN O=C(CCC[NH2+]Cc1cccc(Cl)c1[O-])N1Cc2ccccc2C1 ZINC000182254941 455473713 /nfs/dbraw/zinc/47/37/13/455473713.db2.gz XLYSKZQCGTWKGO-UHFFFAOYSA-N 0 0 344.842 3.458 20 10 EGCDRN C[C@@H](N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1(C)CC1 ZINC000175649203 455477663 /nfs/dbraw/zinc/47/76/63/455477663.db2.gz KDXRBMAQILDIHT-YXMGTMDOSA-N 0 0 328.456 3.183 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160672426 455486948 /nfs/dbraw/zinc/48/69/48/455486948.db2.gz BTMXRTSXHAIYEP-HKUYNNGSSA-N 0 0 340.423 3.454 20 10 EGCDRN C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185029090 455487805 /nfs/dbraw/zinc/48/78/05/455487805.db2.gz PZBVYYTVILGTMJ-MNOVXSKESA-N 0 0 333.259 3.070 20 10 EGCDRN Cn1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)n1 ZINC000175829688 455502428 /nfs/dbraw/zinc/50/24/28/455502428.db2.gz USRZVNNEGGLKFS-UHFFFAOYSA-N 0 0 328.416 3.493 20 10 EGCDRN CC(C)[C@H](CNC(=O)N(C)Cc1ccccc1O)c1cccnc1 ZINC000175892265 455512486 /nfs/dbraw/zinc/51/24/86/455512486.db2.gz VUQMISLSSMNFTA-KRWDZBQOSA-N 0 0 327.428 3.368 20 10 EGCDRN CCCOc1ccc(CN2CCSC[C@H]2c2cnn(C)c2)c(O)c1 ZINC000191747842 455516100 /nfs/dbraw/zinc/51/61/00/455516100.db2.gz NRMJNIAMRSFDTQ-KRWDZBQOSA-N 0 0 347.484 3.205 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](C)CC[S@@](C)=O)c(C)n1-c1cccc(C)c1 ZINC000267289800 455532768 /nfs/dbraw/zinc/53/27/68/455532768.db2.gz ZIFUVQUOBBFKDH-LFPIHBKWSA-N 0 0 346.496 3.289 20 10 EGCDRN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)Oc1cccc(F)c1 ZINC000176098734 455540365 /nfs/dbraw/zinc/54/03/65/455540365.db2.gz UZELSDMBMXVXEA-ZDUSSCGKSA-N 0 0 332.375 3.140 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000247005229 455542689 /nfs/dbraw/zinc/54/26/89/455542689.db2.gz QDRDSWRXKVIYJW-USXIJHARSA-N 0 0 332.444 3.127 20 10 EGCDRN O=C(CC[C@@H]1CCCO1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267542583 455552864 /nfs/dbraw/zinc/55/28/64/455552864.db2.gz 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455697109 /nfs/dbraw/zinc/69/71/09/455697109.db2.gz YUVUHXDYHGZDHT-BXKDBHETSA-N 0 0 336.233 3.086 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccsc1 ZINC000268556029 455709078 /nfs/dbraw/zinc/70/90/78/455709078.db2.gz CGMJBVGOQNXKHJ-UHFFFAOYSA-N 0 0 331.441 3.249 20 10 EGCDRN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cnccn1 ZINC000268895899 455722391 /nfs/dbraw/zinc/72/23/91/455722391.db2.gz VMYXCABXNNVFHN-ZNMIVQPWSA-N 0 0 344.434 3.080 20 10 EGCDRN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000192963555 455727728 /nfs/dbraw/zinc/72/77/28/455727728.db2.gz XAASVTFQFWXZGR-VHSXEESVSA-N 0 0 331.243 3.361 20 10 EGCDRN CCNC(=O)COc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1 ZINC000186263293 455728217 /nfs/dbraw/zinc/72/82/17/455728217.db2.gz DAKSFDIUYMQKOW-AWEZNQCLSA-N 0 0 328.412 3.389 20 10 EGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000186263727 455728651 /nfs/dbraw/zinc/72/86/51/455728651.db2.gz VALOJPRMNLMBQS-CYBMUJFWSA-N 0 0 344.411 3.041 20 10 EGCDRN COc1c(O)c(CN2Cc3ccccc3O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000292820418 455763144 /nfs/dbraw/zinc/76/31/44/455763144.db2.gz PUJXIWXBBKYFGB-GFCCVEGCSA-N 0 0 344.367 3.092 20 10 EGCDRN CCOC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1 ZINC000193542519 455763816 /nfs/dbraw/zinc/76/38/16/455763816.db2.gz PMPWYLKAHQOAEE-UHFFFAOYSA-N 0 0 341.455 3.103 20 10 EGCDRN Oc1c(Cl)cccc1CNc1ccccc1CN1CCOCC1 ZINC000271809059 455768626 /nfs/dbraw/zinc/76/86/26/455768626.db2.gz IYOSSRPMANBOKC-UHFFFAOYSA-N 0 0 332.831 3.490 20 10 EGCDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186442246 455770541 /nfs/dbraw/zinc/77/05/41/455770541.db2.gz UNAWWHSKQVHUAH-YUTCNCBUSA-N 0 0 331.437 3.319 20 10 EGCDRN Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1ccc(F)cc1O ZINC000186489247 455780575 /nfs/dbraw/zinc/78/05/75/455780575.db2.gz LFOQYLLCGKUTGP-GFCCVEGCSA-N 0 0 331.391 3.244 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)c1cn(C)nc1C1CCCCC1 ZINC000269086063 455786922 /nfs/dbraw/zinc/78/69/22/455786922.db2.gz FQBXKHQMWPSTLS-UHFFFAOYSA-N 0 0 327.428 3.446 20 10 EGCDRN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(F)c(F)c1[O-] ZINC000293754073 455796258 /nfs/dbraw/zinc/79/62/58/455796258.db2.gz QPQXRNIPVKGOIV-ZDUSSCGKSA-N 0 0 348.393 3.358 20 10 EGCDRN Cc1cc(O)c(CNc2ccc3c(c2)N(C(N)=O)CCC3)cc1C ZINC000278314206 455814394 /nfs/dbraw/zinc/81/43/94/455814394.db2.gz BAYTXRVIJWPDTG-UHFFFAOYSA-N 0 0 325.412 3.452 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000269219489 455814665 /nfs/dbraw/zinc/81/46/65/455814665.db2.gz CRVIODDDHQHBPF-INIZCTEOSA-N 0 0 332.444 3.416 20 10 EGCDRN O=C(c1ccccc1)c1ccccc1NC[C@H]1CCCS(=O)(=O)C1 ZINC000285280042 455817187 /nfs/dbraw/zinc/81/71/87/455817187.db2.gz UNJZLKUDTSOMFA-OAHLLOKOSA-N 0 0 343.448 3.154 20 10 EGCDRN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294615302 455822003 /nfs/dbraw/zinc/82/20/03/455822003.db2.gz IWCXYXCKNNPZGS-ZFWWWQNUSA-N 0 0 339.798 3.021 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000285327478 455823449 /nfs/dbraw/zinc/82/34/49/455823449.db2.gz XGSWJQGKNJLUDB-OCCSQVGLSA-N 0 0 326.780 3.097 20 10 EGCDRN COc1c([O-])c(C[NH2+]C2(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278497339 455837823 /nfs/dbraw/zinc/83/78/23/455837823.db2.gz MWWAKFGFAOZJHZ-UHFFFAOYSA-N 0 0 328.368 3.174 20 10 EGCDRN COc1ccc(O)c(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)c1 ZINC000278631758 455842997 /nfs/dbraw/zinc/84/29/97/455842997.db2.gz IHCKUPJWJRRRBD-KRWDZBQOSA-N 0 0 345.439 3.051 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1COc2ccccc2O1 ZINC000295295382 455844971 /nfs/dbraw/zinc/84/49/71/455844971.db2.gz QNTDMRFJOGSQAZ-INIZCTEOSA-N 0 0 341.407 3.361 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(NCC3CC3)nc2)cc1 ZINC000278746698 455846842 /nfs/dbraw/zinc/84/68/42/455846842.db2.gz VILBCKBLNMXEEW-UHFFFAOYSA-N 0 0 338.455 3.242 20 10 EGCDRN CC[C@H](C)c1ccccc1OCC(=O)NCCc1ccc(O)c(O)c1 ZINC000269419799 455847300 /nfs/dbraw/zinc/84/73/00/455847300.db2.gz DCGCHHWFCCHLGW-AWEZNQCLSA-N 0 0 343.423 3.349 20 10 EGCDRN COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000278762899 455847624 /nfs/dbraw/zinc/84/76/24/455847624.db2.gz OUAMZUGXCKAKFA-QWRGUYRKSA-N 0 0 333.259 3.070 20 10 EGCDRN CC[C@@H](C)CCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000285467856 455851522 /nfs/dbraw/zinc/85/15/22/455851522.db2.gz KHCDDDIZOIXELO-MRXNPFEDSA-N 0 0 332.488 3.338 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCc3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC000278909418 455853212 /nfs/dbraw/zinc/85/32/12/455853212.db2.gz SECZTKGWABUDRM-OAHLLOKOSA-N 0 0 328.368 3.395 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1[O-] ZINC000295834202 455860523 /nfs/dbraw/zinc/86/05/23/455860523.db2.gz CNUVDJAIWKSJGJ-IAOVAPTHSA-N 0 0 335.831 3.295 20 10 EGCDRN COc1cc(N(C)C(=O)/C=C\c2cncc(C)c2)cc(OC)c1OC ZINC000255365239 455866354 /nfs/dbraw/zinc/86/63/54/455866354.db2.gz HYIWSPHXUWHLLC-SREVYHEPSA-N 0 0 342.395 3.092 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000285557903 455870447 /nfs/dbraw/zinc/87/04/47/455870447.db2.gz FQDYMYUFKJNICL-PXTQAZKISA-N 0 0 326.387 3.014 20 10 EGCDRN CCCN(CCS(=O)(=O)Cc1ccccc1)Cc1ccccc1O ZINC000279790257 455873927 /nfs/dbraw/zinc/87/39/27/455873927.db2.gz VIAVLMYLIXMCCD-UHFFFAOYSA-N 0 0 347.480 3.219 20 10 EGCDRN COc1ccc(N(Cc2ccccc2)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000279880079 455875397 /nfs/dbraw/zinc/87/53/97/455875397.db2.gz CPXMOMIALBIJPJ-KRWDZBQOSA-N 0 0 345.464 3.137 20 10 EGCDRN C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187662447 455935352 /nfs/dbraw/zinc/93/53/52/455935352.db2.gz QONRLXYCENBIBQ-ZBFHGGJFSA-N 0 0 348.462 3.229 20 10 EGCDRN C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(F)c(F)c1[O-] ZINC000187683698 455938618 /nfs/dbraw/zinc/93/86/18/455938618.db2.gz YYLVGRGOQVEKSQ-GFCCVEGCSA-N 0 0 326.387 3.114 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000270384867 455944137 /nfs/dbraw/zinc/94/41/37/455944137.db2.gz QHPNLRXMQNCGSK-QGZVFWFLSA-N 0 0 326.440 3.165 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)CCCCO)c2C)cc1 ZINC000296467571 455946055 /nfs/dbraw/zinc/94/60/55/455946055.db2.gz ZZSKYUZKMAAEKP-AWEZNQCLSA-N 0 0 344.455 3.384 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCc2ncccc2C)c1 ZINC000296486438 455951693 /nfs/dbraw/zinc/95/16/93/455951693.db2.gz OMFRMJABPZJVDW-CQSZACIVSA-N 0 0 328.412 3.166 20 10 EGCDRN CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccc(F)cc1[O-] ZINC000285996585 455957261 /nfs/dbraw/zinc/95/72/61/455957261.db2.gz IJZWLZAKXUIRTI-CXAGYDPISA-N 0 0 330.403 3.277 20 10 EGCDRN CCn1cnnc1CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296617540 455990545 /nfs/dbraw/zinc/99/05/45/455990545.db2.gz ZQTSAQAEKUIFHO-UHFFFAOYSA-N 0 0 341.484 3.286 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2c(F)cccc2F)cc1 ZINC000296677677 456007940 /nfs/dbraw/zinc/00/79/40/456007940.db2.gz WUAMZNSBUMZWMW-UHFFFAOYSA-N 0 0 333.382 3.372 20 10 EGCDRN COc1ccccc1C[C@@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272643353 456024886 /nfs/dbraw/zinc/02/48/86/456024886.db2.gz LWGVBFSPCGMIDT-CFRMROPGSA-N 0 0 341.407 3.209 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000188255395 456030062 /nfs/dbraw/zinc/03/00/62/456030062.db2.gz OJJFZWPHVHZJSF-GOSISDBHSA-N 0 0 334.375 3.145 20 10 EGCDRN CN(C)c1ccc(CN(c2nnc(-c3ccon3)s2)C2CC2)cc1 ZINC000286408305 456042101 /nfs/dbraw/zinc/04/21/01/456042101.db2.gz OKSUGADRBHFQAK-UHFFFAOYSA-N 0 0 341.440 3.428 20 10 EGCDRN C[C@H](Cn1ccc2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 ZINC000286843990 456055321 /nfs/dbraw/zinc/05/53/21/456055321.db2.gz WGEZEGIBASMNLH-CQSZACIVSA-N 0 0 338.407 3.048 20 10 EGCDRN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc(Cl)c1[O-] ZINC000287019514 456059551 /nfs/dbraw/zinc/05/95/51/456059551.db2.gz LBVJHEXGQWHBHA-ZDUSSCGKSA-N 0 0 331.865 3.054 20 10 EGCDRN Cc1cccc(NC2=NC(=O)C(=Cc3cn(C(C)C)nn3)S2)c1 ZINC000287252890 456064619 /nfs/dbraw/zinc/06/46/19/456064619.db2.gz PNIVSZUZSGJYDH-RIYZIHGNSA-N 0 0 327.413 3.250 20 10 EGCDRN CC[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cccc(Cl)c1[O-] ZINC000287261562 456065461 /nfs/dbraw/zinc/06/54/61/456065461.db2.gz ALKIBCRLXGQQHE-INIZCTEOSA-N 0 0 348.830 3.151 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000287278576 456065810 /nfs/dbraw/zinc/06/58/10/456065810.db2.gz VIMYCHMNRILKNF-UHFFFAOYSA-N 0 0 334.460 3.081 20 10 EGCDRN COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1cc(C)ccc1O ZINC000287366823 456067446 /nfs/dbraw/zinc/06/74/46/456067446.db2.gz HNZWWCBDFKPNSK-CYBMUJFWSA-N 0 0 349.452 3.427 20 10 EGCDRN COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1ccccc1O ZINC000287694832 456076243 /nfs/dbraw/zinc/07/62/43/456076243.db2.gz WVCJKFDUTPFKOL-GFCCVEGCSA-N 0 0 335.425 3.119 20 10 EGCDRN CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000287733734 456076749 /nfs/dbraw/zinc/07/67/49/456076749.db2.gz PIGALZXHUYBMPE-AWEZNQCLSA-N 0 0 333.881 3.301 20 10 EGCDRN CC(=O)C(=O)COc1cc(Br)cc(C(F)(F)F)c1 ZINC000288024569 456085007 /nfs/dbraw/zinc/08/50/07/456085007.db2.gz ADMOWUSHIQMRIW-UHFFFAOYSA-N 0 0 325.080 3.005 20 10 EGCDRN 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339.455 3.142 20 10 EGCDRN CN(Cc1cccs1)c1ccc(CN2CCc3nn[nH]c3C2)cc1 ZINC000827877177 1292391355 /nfs/dbraw/zinc/39/13/55/1292391355.db2.gz KBHGWGQRVXYRQC-UHFFFAOYSA-N 0 0 339.468 3.061 20 10 EGCDRN C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000827930793 1292405258 /nfs/dbraw/zinc/40/52/58/1292405258.db2.gz RFQBXICDOUDAHD-UKRRQHHQSA-N 0 0 348.443 3.359 20 10 EGCDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1O ZINC000827937073 1292407474 /nfs/dbraw/zinc/40/74/74/1292407474.db2.gz JWTNDLRGAGNPDQ-CHWSQXEVSA-N 0 0 336.432 3.072 20 10 EGCDRN C[C@@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1O ZINC000827937412 1292408263 /nfs/dbraw/zinc/40/82/63/1292408263.db2.gz VRRFXRNOAMDABW-GFCCVEGCSA-N 0 0 329.400 3.243 20 10 EGCDRN COc1ccc2c(c1)OC[C@@H]2CC(=O)N[C@H](C)c1ccccc1O ZINC000827941156 1292408630 /nfs/dbraw/zinc/40/86/30/1292408630.db2.gz OEDIKGUULUVCRT-OLZOCXBDSA-N 0 0 327.380 3.144 20 10 EGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000827951960 1292411950 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SCGBMFWFXCAVSV-YJBOKZPZSA-N 0 0 330.359 3.319 20 10 EGCDRN CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(F)cc1[O-] ZINC000834896231 1293167797 /nfs/dbraw/zinc/16/77/97/1293167797.db2.gz HVLQCYZZBPMERP-YEWWUXTCSA-N 0 0 333.407 3.226 20 10 EGCDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(=O)NCCc1ccccc1 ZINC000834896738 1293168427 /nfs/dbraw/zinc/16/84/27/1293168427.db2.gz NHPSJQNRSIVRFU-STQMWFEESA-N 0 0 348.393 3.068 20 10 EGCDRN COc1ccc(O)c(CNC(=O)c2cc(-c3ccc(C)cc3)no2)c1 ZINC000114541105 1293168861 /nfs/dbraw/zinc/16/88/61/1293168861.db2.gz MFINNOKIMWTJJI-UHFFFAOYSA-N 0 0 338.363 3.294 20 10 EGCDRN COc1ccc(O)c(CNC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000114582144 1293172117 /nfs/dbraw/zinc/17/21/17/1293172117.db2.gz WXWNIMXBRXCPJH-UHFFFAOYSA-N 0 0 334.803 3.096 20 10 EGCDRN COc1ccc(O)c(CNC(=O)NCc2ccccc2OC(C)C)c1 ZINC000114590538 1293172503 /nfs/dbraw/zinc/17/25/03/1293172503.db2.gz WDJKAJZOPZKMQY-UHFFFAOYSA-N 0 0 344.411 3.187 20 10 EGCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1OC ZINC000115281160 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CC1(C)CN(C(=O)NCc2ccc(N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001338794341 1389767249 /nfs/dbraw/zinc/76/72/49/1389767249.db2.gz YWKKDVRBOPLDSP-GUXCAODWSA-N 0 0 343.471 3.148 20 10 EGCDRN COC1(OC)CC(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001339385201 1390014842 /nfs/dbraw/zinc/01/48/42/1390014842.db2.gz KHUWCBDKWAZCBR-UHFFFAOYSA-N 0 0 342.439 3.223 20 10 EGCDRN Cn1c(C2SC=CC2=O)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001339575499 1390073886 /nfs/dbraw/zinc/07/38/86/1390073886.db2.gz ZSNKZYSCIUTWGL-UHFFFAOYSA-N 0 0 346.378 3.418 20 10 EGCDRN COc1ccc(C[N@H+](CCO)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001332673106 1390147307 /nfs/dbraw/zinc/14/73/07/1390147307.db2.gz FMDDEPWPOGEMMX-UHFFFAOYSA-N 0 0 340.467 3.290 20 10 EGCDRN O=C([O-])[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001334070374 1390471272 /nfs/dbraw/zinc/47/12/72/1390471272.db2.gz SXFYXFBEJPLVFR-DKTWLAJQSA-N 0 0 346.196 3.027 20 10 EGCDRN CCCNC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001347559178 1391092667 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C[C@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824594288 1443909786 /nfs/dbraw/zinc/90/97/86/1443909786.db2.gz ZRPASPAJHQPQCA-NSHDSACASA-N 0 0 346.485 3.156 20 10 EGCDRN COc1cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001594055743 958032439 /nfs/dbraw/zinc/03/24/39/958032439.db2.gz ACVWLKOIELJUOK-CHWSQXEVSA-N 0 0 335.444 3.383 20 10 EGCDRN COc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001594055745 958032761 /nfs/dbraw/zinc/03/27/61/958032761.db2.gz ACVWLKOIELJUOK-OLZOCXBDSA-N 0 0 335.444 3.383 20 10 EGCDRN C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000843041334 969234860 /nfs/dbraw/zinc/23/48/60/969234860.db2.gz QNIXDTGJDSPRME-RISCZKNCSA-N 0 0 344.377 3.314 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccccc1O ZINC001604994102 972586827 /nfs/dbraw/zinc/58/68/27/972586827.db2.gz SHXYIYDBICZWCQ-KGLIPLIRSA-N 0 0 344.411 3.137 20 10 EGCDRN CC(C)[NH+]1CCC(N(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844207049 979355027 /nfs/dbraw/zinc/35/50/27/979355027.db2.gz TZVUZQRIJXKWKH-FNORWQNLSA-N 0 0 347.415 3.002 20 10 EGCDRN CCN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC000849344431 979496318 /nfs/dbraw/zinc/49/63/18/979496318.db2.gz LUSPHBFVOSOELK-KGLIPLIRSA-N 0 0 344.377 3.228 20 10 EGCDRN CO[C@@H]1CCC[C@H]([C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C(=O)[O-])C1 ZINC000901762419 980494798 /nfs/dbraw/zinc/49/47/98/980494798.db2.gz JOJSCWWVLPHPGG-PYGXPYLVSA-N 0 0 346.471 3.014 20 10 EGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC(F)(F)F)C(=O)[O-])cc1F ZINC000901778764 980509003 /nfs/dbraw/zinc/50/90/03/980509003.db2.gz NRXAXOCLSRMYOQ-LBPRGKRZSA-N 0 0 336.329 3.167 20 10 EGCDRN C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000902014911 980692370 /nfs/dbraw/zinc/69/23/70/980692370.db2.gz FWZHRRFQGNVWPL-IAQYHMDHSA-N 0 0 344.377 3.457 20 10 EGCDRN COc1ccc(N2CC[C@H](C[NH2+]C3CCC(CC(=O)[O-])CC3)C2)cc1 ZINC000902379962 980862636 /nfs/dbraw/zinc/86/26/36/980862636.db2.gz ZHSACHYDYLDGPY-AQFXKWCLSA-N 0 0 346.471 3.145 20 10 EGCDRN CCCCC[C@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)[O-] ZINC001595683189 982169639 /nfs/dbraw/zinc/16/96/39/982169639.db2.gz MAMXLMKJPYUTQY-LBPRGKRZSA-N 0 0 330.222 3.278 20 10 EGCDRN C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593207064 994212660 /nfs/dbraw/zinc/21/26/60/994212660.db2.gz AETIILCIOZDJFW-PXAZEXFGSA-N 0 0 346.402 3.183 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1O ZINC001593219052 994294982 /nfs/dbraw/zinc/29/49/82/994294982.db2.gz LSIMUYALECPSSQ-DIFFPNOSSA-N 0 0 326.396 3.401 20 10 EGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)N(C)c1ccccc1 ZINC001593240323 994427945 /nfs/dbraw/zinc/42/79/45/994427945.db2.gz MYPOCTVDHZKJDE-KGLIPLIRSA-N 0 0 328.412 3.266 20 10 EGCDRN C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cc(C(=O)[O-])ccc1O ZINC001593312262 994797886 /nfs/dbraw/zinc/79/78/86/994797886.db2.gz RTPIFDAKEVRTTD-SNVBAGLBSA-N 0 0 332.425 3.277 20 10 EGCDRN C[C@H](Oc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1)C(=O)[O-] ZINC001593618419 995857898 /nfs/dbraw/zinc/85/78/98/995857898.db2.gz XECUNMZEXGXSSS-NSHDSACASA-N 0 0 335.787 3.187 20 10 EGCDRN COc1cc(C)cc(C[NH2+][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1O ZINC001599392626 997065403 /nfs/dbraw/zinc/06/54/03/997065403.db2.gz PLQAOWDNSVTOGV-QGZVFWFLSA-N 0 0 329.396 3.242 20 10 EGCDRN Cc1cccc(C[NH2+][C@H](Cc2cc3ccccc3o2)C(=O)[O-])c1O ZINC001607852978 1126234737 /nfs/dbraw/zinc/23/47/37/1126234737.db2.gz ZFVCLJKIVKBBBI-MRXNPFEDSA-N 0 0 325.364 3.232 20 10 EGCDRN CCc1ncc(C[NH2+]Cc2cccc(Br)c2[O-])s1 ZINC000278429238 455835284 /nfs/dbraw/zinc/83/52/84/455835284.db2.gz SXBGNXMNQPDKHG-UHFFFAOYSA-N 0 0 327.247 3.463 20 10 EGCDRN CCN(CCOCC(F)(F)C(F)F)c1ccc(OC)c(OC)c1 ZINC000276318416 456444589 /nfs/dbraw/zinc/44/45/89/456444589.db2.gz ZQGJDNZXHJXQPR-UHFFFAOYSA-N 0 0 339.329 3.447 20 10 EGCDRN Cn1ccnc1-c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180676419 455224407 /nfs/dbraw/zinc/22/44/07/455224407.db2.gz HRULCSVAVHAAIS-SOFGYWHQSA-N 0 0 335.363 3.150 20 10 EGCDRN Nc1ccc(CC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000237894687 455230137 /nfs/dbraw/zinc/23/01/37/455230137.db2.gz ZQTWRNPDBMHFKS-KRWDZBQOSA-N 0 0 330.815 3.065 20 10 EGCDRN CCOC(=O)[C@H](NCc1cccc(C)c1O)c1ccc(OC)c(F)c1 ZINC000189671953 455230192 /nfs/dbraw/zinc/23/01/92/455230192.db2.gz GPKUIWKZKNUZRO-QGZVFWFLSA-N 0 0 347.386 3.242 20 10 EGCDRN CN(CC1CCCC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264579396 455240815 /nfs/dbraw/zinc/24/08/15/455240815.db2.gz UTLJVQWHCQQJOT-DHZHZOJOSA-N 0 0 328.456 3.185 20 10 EGCDRN COc1cccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173195032 455246630 /nfs/dbraw/zinc/24/66/30/455246630.db2.gz JTEYVGSYNDZPFK-UHFFFAOYSA-N 0 0 340.423 3.119 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189970055 455263463 /nfs/dbraw/zinc/26/34/63/455263463.db2.gz SHJRLGNUTJXAHJ-UHFFFAOYSA-N 0 0 341.242 3.203 20 10 EGCDRN O=C(CCc1ccc(O)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000184056373 455350419 /nfs/dbraw/zinc/35/04/19/455350419.db2.gz YHIOLALXAVFPAU-UHFFFAOYSA-N 0 0 325.408 3.226 20 10 EGCDRN Cc1ccc2[nH]c(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2c1 ZINC000019770205 453659538 /nfs/dbraw/zinc/65/95/38/453659538.db2.gz JRPFMVYQAJMUMM-UHFFFAOYSA-N 0 0 349.434 3.243 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000066700122 453864345 /nfs/dbraw/zinc/86/43/45/453864345.db2.gz YGMOFWBFRTUTQP-INIZCTEOSA-N 0 0 342.443 3.125 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1[C@H]1CCCO1 ZINC000075159486 453867609 /nfs/dbraw/zinc/86/76/09/453867609.db2.gz JSSXXMBATSHODN-MRXNPFEDSA-N 0 0 342.395 3.041 20 10 EGCDRN COCc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159954 453867939 /nfs/dbraw/zinc/86/79/39/453867939.db2.gz SVHBGMHTWYODSE-UHFFFAOYSA-N 0 0 325.408 3.347 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)CCCc2nc(C)no2)cc1F ZINC000066841171 453878223 /nfs/dbraw/zinc/87/82/23/453878223.db2.gz NLGDIUSFHPGHSQ-UHFFFAOYSA-N 0 0 348.422 3.002 20 10 EGCDRN CCN(Cc1ccccn1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000084435039 453989230 /nfs/dbraw/zinc/98/92/30/453989230.db2.gz WRPVWBQGVMALFM-UHFFFAOYSA-N 0 0 338.455 3.196 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccsc3)cc2F)C[C@H](C)O1 ZINC000055530698 453992192 /nfs/dbraw/zinc/99/21/92/453992192.db2.gz ZGIYGLITAINILV-BETUJISGSA-N 0 0 348.443 3.431 20 10 EGCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cccs3)cc2F)C[C@H](C)O1 ZINC000055530491 453992252 /nfs/dbraw/zinc/99/22/52/453992252.db2.gz OPIKSPRVVUOBOI-STQMWFEESA-N 0 0 348.443 3.431 20 10 EGCDRN C[C@H](Sc1ccccn1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000084980422 454019603 /nfs/dbraw/zinc/01/96/03/454019603.db2.gz SSNFBSOSDJWZAI-ZDUSSCGKSA-N 0 0 343.452 3.054 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(=O)OC)s1 ZINC000042720426 454021732 /nfs/dbraw/zinc/02/17/32/454021732.db2.gz JOZVAVUFZXNEGM-UHFFFAOYSA-N 0 0 346.452 3.263 20 10 EGCDRN O=[N+]([O-])c1cc(F)ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000042791167 454025719 /nfs/dbraw/zinc/02/57/19/454025719.db2.gz RNBKNUCIWSCVGF-UHFFFAOYSA-N 0 0 331.347 3.183 20 10 EGCDRN O=C(Nc1ccncc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000056499909 454062155 /nfs/dbraw/zinc/06/21/55/454062155.db2.gz AMMGCYBKOQVWMV-INIZCTEOSA-N 0 0 327.384 3.000 20 10 EGCDRN Cc1noc(Cl)c1CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057558020 454135258 /nfs/dbraw/zinc/13/52/58/454135258.db2.gz YESZSQLISSARHQ-UHFFFAOYSA-N 0 0 339.798 3.091 20 10 EGCDRN COc1cccc(CN2CCN(C(=O)CCC3CCCC3)CC2)c1O ZINC000130323539 454190540 /nfs/dbraw/zinc/19/05/40/454190540.db2.gz IVVLUFVHDGGSBH-UHFFFAOYSA-N 0 0 346.471 3.015 20 10 EGCDRN CC[S@](=O)c1ccccc1C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000266287638 455426023 /nfs/dbraw/zinc/42/60/23/455426023.db2.gz CUVSLDFUGDTDSV-SZNDQCEHSA-N 0 0 325.499 3.028 20 10 EGCDRN Cc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3O)c12 ZINC000058380995 454195921 /nfs/dbraw/zinc/19/59/21/454195921.db2.gz FJKJQLIUOZRONS-UHFFFAOYSA-N 0 0 337.379 3.386 20 10 EGCDRN Cc1ccccc1NC(=O)[C@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000130436512 454198157 /nfs/dbraw/zinc/19/81/57/454198157.db2.gz MZAQXRIZHOBQQI-HNNXBMFYSA-N 0 0 339.439 3.287 20 10 EGCDRN COc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000071797611 454220649 /nfs/dbraw/zinc/22/06/49/454220649.db2.gz ZZIVOVKYLUWBRM-SFHVURJKSA-N 0 0 341.407 3.222 20 10 EGCDRN COCc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000058619752 454221681 /nfs/dbraw/zinc/22/16/81/454221681.db2.gz QJDMGKSRBWUGPL-UHFFFAOYSA-N 0 0 331.391 3.360 20 10 EGCDRN CN(Cc1ncc(C(C)(C)C)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000120015375 454248628 /nfs/dbraw/zinc/24/86/28/454248628.db2.gz MBLOXBNDDIHBDA-UHFFFAOYSA-N 0 0 343.471 3.441 20 10 EGCDRN COc1ccc(N(C)CC(=O)Nc2cc(C)ccc2OC)c(OC)c1 ZINC000131682169 454275849 /nfs/dbraw/zinc/27/58/49/454275849.db2.gz KUSYOKHPGYBVKT-UHFFFAOYSA-N 0 0 344.411 3.096 20 10 EGCDRN COc1ccc(N2CCC(Nc3ncc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000078657910 454293831 /nfs/dbraw/zinc/29/38/31/454293831.db2.gz TZXHUSNEARIYIT-UHFFFAOYSA-N 0 0 342.399 3.388 20 10 EGCDRN Cc1ccc(F)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000078960942 454344813 /nfs/dbraw/zinc/34/48/13/454344813.db2.gz QVIGFSWGCBSUOF-UHFFFAOYSA-N 0 0 346.377 3.040 20 10 EGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000047293570 454354602 /nfs/dbraw/zinc/35/46/02/454354602.db2.gz ZZDLCXIXQFSGLX-UHFFFAOYSA-N 0 0 348.443 3.087 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)CCc3cccs3)CC2)cc1 ZINC000079180377 454378602 /nfs/dbraw/zinc/37/86/02/454378602.db2.gz OLPFXCYYIQNNFQ-UHFFFAOYSA-N 0 0 344.480 3.428 20 10 EGCDRN C[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000121327225 454420922 /nfs/dbraw/zinc/42/09/22/454420922.db2.gz OJXXAQQOVWJDKK-UHFFFAOYSA-N 0 0 342.487 3.107 20 10 EGCDRN O=C(NCc1ccco1)N(Cc1ccco1)Cc1ccccc1O ZINC000048234280 454459924 /nfs/dbraw/zinc/45/99/24/454459924.db2.gz MEKANXNVJURQNH-UHFFFAOYSA-N 0 0 326.352 3.490 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000122337466 454525154 /nfs/dbraw/zinc/52/51/54/454525154.db2.gz UDVAJHLNSSOSMU-UHFFFAOYSA-N 0 0 340.423 3.287 20 10 EGCDRN COC(=O)c1sc(N[C@H](C)c2cc(OC)ccc2O)nc1Cl ZINC000092650087 454600896 /nfs/dbraw/zinc/60/08/96/454600896.db2.gz WSJVCKRRZRYZHF-SSDOTTSWSA-N 0 0 342.804 3.470 20 10 EGCDRN COc1cccc(CNC(=O)N[C@H](c2nc(C)cs2)C2CC2)c1O ZINC000074671268 454617677 /nfs/dbraw/zinc/61/76/77/454617677.db2.gz YJTXQRQDSXYDPN-AWEZNQCLSA-N 0 0 347.440 3.116 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)NCCc2ccc(Cl)nc2)cc1 ZINC000123302845 454622422 /nfs/dbraw/zinc/62/24/22/454622422.db2.gz SFMSBNGVEVQAAK-UHFFFAOYSA-N 0 0 346.862 3.185 20 10 EGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCCc3sccc32)c1 ZINC000135206359 454645889 /nfs/dbraw/zinc/64/58/89/454645889.db2.gz CFAPCZVIIMUWLC-CQSZACIVSA-N 0 0 332.425 3.339 20 10 EGCDRN COc1cccc(CNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1O ZINC000105651312 454648513 /nfs/dbraw/zinc/64/85/13/454648513.db2.gz PAUYDONRSVOOCB-UHFFFAOYSA-N 0 0 343.427 3.160 20 10 EGCDRN Cc1cc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)on1 ZINC000108444059 454798200 /nfs/dbraw/zinc/79/82/00/454798200.db2.gz YMKDWBSUTZBMDL-UHFFFAOYSA-N 0 0 342.443 3.219 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cncc(O)c1 ZINC000109042890 454820393 /nfs/dbraw/zinc/82/03/93/454820393.db2.gz VQHYUEIEWXUGMK-UHFFFAOYSA-N 0 0 325.412 3.050 20 10 EGCDRN C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191209800 455465026 /nfs/dbraw/zinc/46/50/26/455465026.db2.gz YUKNYHMSFNTFKY-CYBMUJFWSA-N 0 0 347.409 3.381 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)CC[C@H]3CC[C@H](C)O3)CC2)cc1 ZINC000175576162 455465856 /nfs/dbraw/zinc/46/58/56/455465856.db2.gz KGAANLICRKQGRX-QFBILLFUSA-N 0 0 346.471 3.082 20 10 EGCDRN CC(C)(C)c1ncc(/C=C/C(=O)N2CCOc3ncccc32)s1 ZINC000177245825 454842340 /nfs/dbraw/zinc/84/23/40/454842340.db2.gz QNYZOQZZMPRMJS-VOTSOKGWSA-N 0 0 329.425 3.274 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1ccncc1C ZINC000163925771 454869153 /nfs/dbraw/zinc/86/91/53/454869153.db2.gz LUUDMYURWPBDOD-UHFFFAOYSA-N 0 0 327.428 3.260 20 10 EGCDRN Cc1cc(C(=O)NCC[S@](=O)C(C)(C)C)c(C)n1-c1ccccc1 ZINC000112301390 454884348 /nfs/dbraw/zinc/88/43/48/454884348.db2.gz CRLVFKUXPPWNIH-XMMPIXPASA-N 0 0 346.496 3.371 20 10 EGCDRN COCCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000177886551 454916247 /nfs/dbraw/zinc/91/62/47/454916247.db2.gz OYCHDDWDSHRBKP-UHFFFAOYSA-N 0 0 330.472 3.500 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](COC)c1ccco1 ZINC000175748214 455490980 /nfs/dbraw/zinc/49/09/80/455490980.db2.gz OXBJPQYDXBRDIM-QGZVFWFLSA-N 0 0 345.443 3.265 20 10 EGCDRN Cc1cc(C(=O)NC[C@@]2(C)CCCC[C@H]2O)c(C)n1-c1ccccn1 ZINC000178266294 454944647 /nfs/dbraw/zinc/94/46/47/454944647.db2.gz HBLNGUSSXADVFA-YLJYHZDGSA-N 0 0 341.455 3.160 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000178436765 454955619 /nfs/dbraw/zinc/95/56/19/454955619.db2.gz AVGISTRKJLWUMG-HKUYNNGSSA-N 0 0 345.487 3.243 20 10 EGCDRN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000178521474 454959474 /nfs/dbraw/zinc/95/94/74/454959474.db2.gz LSSLONGAPBHPRW-TZMCWYRMSA-N 0 0 338.398 3.419 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000155498404 455008324 /nfs/dbraw/zinc/00/83/24/455008324.db2.gz YXIUZVVYOJYYRX-UHFFFAOYSA-N 0 0 345.346 3.209 20 10 EGCDRN Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c(O)c1O ZINC000179480835 455051332 /nfs/dbraw/zinc/05/13/32/455051332.db2.gz IRLDAHSBOYOXES-OAHLLOKOSA-N 0 0 347.798 3.273 20 10 EGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CC=CC3)cc1)CO2 ZINC000152008563 455060527 /nfs/dbraw/zinc/06/05/27/455060527.db2.gz PBZAKEAEAGMBIQ-IBGZPJMESA-N 0 0 349.434 3.304 20 10 EGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)CO2 ZINC000152044991 455065361 /nfs/dbraw/zinc/06/53/61/455065361.db2.gz OZZXEORSBXJHNF-SFHVURJKSA-N 0 0 339.439 3.336 20 10 EGCDRN CC(=O)c1cc(F)cc(CN[C@@H](c2nc(C3CC3)no2)C(C)C)c1O ZINC000179801216 455081186 /nfs/dbraw/zinc/08/11/86/455081186.db2.gz UTQNODKSTFRCTC-OAHLLOKOSA-N 0 0 347.390 3.481 20 10 EGCDRN O=C(/C=C/c1cnc2ccccc2n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172424399 455153267 /nfs/dbraw/zinc/15/32/67/455153267.db2.gz RENOINCKMVGDAH-CMDGGOBGSA-N 0 0 346.346 3.141 20 10 EGCDRN CSc1ccc(O[C@@H](C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000237341550 455175347 /nfs/dbraw/zinc/17/53/47/455175347.db2.gz UTXMWYFCBBGAFH-ZDUSSCGKSA-N 0 0 330.453 3.117 20 10 EGCDRN Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c(O)c1O ZINC000182838610 455175453 /nfs/dbraw/zinc/17/54/53/455175453.db2.gz RVUCYPBFSWOUNE-OAHLLOKOSA-N 0 0 326.396 3.123 20 10 EGCDRN CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000237452453 455186278 /nfs/dbraw/zinc/18/62/78/455186278.db2.gz WVCZHXVGERGHMC-CQSZACIVSA-N 0 0 326.396 3.196 20 10 EGCDRN Cc1cc2ccccc2n1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183416804 455290672 /nfs/dbraw/zinc/29/06/72/455290672.db2.gz WYVGBBJRAQZAOT-CYBMUJFWSA-N 0 0 338.407 3.108 20 10 EGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)F)c1 ZINC000264305034 455196788 /nfs/dbraw/zinc/19/67/88/455196788.db2.gz ZVBAKXSKAUGSGP-UHFFFAOYSA-N 0 0 346.377 3.391 20 10 EGCDRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000237609764 455198642 /nfs/dbraw/zinc/19/86/42/455198642.db2.gz WVCZHXVGERGHMC-AWEZNQCLSA-N 0 0 326.396 3.196 20 10 EGCDRN COc1ccccc1[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181030869 455278119 /nfs/dbraw/zinc/27/81/19/455278119.db2.gz GJGIQMWIWYZPCX-SOGBHIHOSA-N 0 0 339.391 3.483 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCSC(C)(C)C ZINC000183453752 455294503 /nfs/dbraw/zinc/29/45/03/455294503.db2.gz QOEQMPZNSWDMIQ-GFCCVEGCSA-N 0 0 325.474 3.457 20 10 EGCDRN C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183469527 455296954 /nfs/dbraw/zinc/29/69/54/455296954.db2.gz QZHFRQCRFCRAMA-OLZOCXBDSA-N 0 0 331.387 3.163 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000183490562 455300052 /nfs/dbraw/zinc/30/00/52/455300052.db2.gz BSXHMGUHMQINRX-ZIAGYGMSSA-N 0 0 335.444 3.273 20 10 EGCDRN CCC[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000183574785 455307825 /nfs/dbraw/zinc/30/78/25/455307825.db2.gz RNYPGKGFRCPUMN-ROUUACIJSA-N 0 0 330.472 3.281 20 10 EGCDRN Cc1ccnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC000265505624 455335522 /nfs/dbraw/zinc/33/55/22/455335522.db2.gz JCQHSXXTDOKHRB-ZIAGYGMSSA-N 0 0 330.407 3.150 20 10 EGCDRN Cc1csc([C@@H](C)CNC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000183894809 455336225 /nfs/dbraw/zinc/33/62/25/455336225.db2.gz ARCLNPCTZPOICJ-LBPRGKRZSA-N 0 0 332.473 3.120 20 10 EGCDRN CN(Cc1nnc2n1CCCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000265664010 455358485 /nfs/dbraw/zinc/35/84/85/455358485.db2.gz UGTBNVLPUOKAMQ-UHFFFAOYSA-N 0 0 339.487 3.237 20 10 EGCDRN CCOc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000190907086 455402091 /nfs/dbraw/zinc/40/20/91/455402091.db2.gz YEWCUSNSVXQPTE-GFCCVEGCSA-N 0 0 330.384 3.249 20 10 EGCDRN O=C(NCCOC1CCCCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000265913440 455404731 /nfs/dbraw/zinc/40/47/31/455404731.db2.gz KVBGPSGHKLALGU-UHFFFAOYSA-N 0 0 343.471 3.211 20 10 EGCDRN COc1cccc(CN[C@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000174668941 455411360 /nfs/dbraw/zinc/41/13/60/455411360.db2.gz IXOMUDHZSURILH-LLVKDONJSA-N 0 0 343.358 3.441 20 10 EGCDRN COc1ccc(N(C)Cc2cc(-c3cnn(C)c3C)no2)cc1F ZINC000184615418 455414315 /nfs/dbraw/zinc/41/43/15/455414315.db2.gz MDLHKQXMUWXLRB-UHFFFAOYSA-N 0 0 330.363 3.168 20 10 EGCDRN COc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000190959103 455415180 /nfs/dbraw/zinc/41/51/80/455415180.db2.gz VJZLLIDCVRMAND-GFCCVEGCSA-N 0 0 330.384 3.168 20 10 EGCDRN Cc1cc(=O)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c[nH]1 ZINC000266091969 455423127 /nfs/dbraw/zinc/42/31/27/455423127.db2.gz ATYRLHJKKZCMRQ-UHFFFAOYSA-N 0 0 327.428 3.212 20 10 EGCDRN CCC(CC)(CCO)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000175225438 455428161 /nfs/dbraw/zinc/42/81/61/455428161.db2.gz OLRVNVGHCILNQV-UHFFFAOYSA-N 0 0 345.487 3.051 20 10 EGCDRN COc1cccc(CNC(=O)CCCOc2ccc(C)c(C)c2)c1O ZINC000175339565 455439254 /nfs/dbraw/zinc/43/92/54/455439254.db2.gz JPAGLDVFMWINSO-UHFFFAOYSA-N 0 0 343.423 3.493 20 10 EGCDRN COC[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000175735104 455489409 /nfs/dbraw/zinc/48/94/09/455489409.db2.gz JAKZLVUSRGYZLR-INIZCTEOSA-N 0 0 344.411 3.051 20 10 EGCDRN Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c(O)c1O ZINC000182365337 455497592 /nfs/dbraw/zinc/49/75/92/455497592.db2.gz CHTNSEOUWQDZLJ-KRWDZBQOSA-N 0 0 334.375 3.321 20 10 EGCDRN C[C@@H](O)[C@@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])Cc1ccccc1 ZINC000191712899 455511913 /nfs/dbraw/zinc/51/19/13/455511913.db2.gz FGVRNAPZYNOTRC-AUUYWEPGSA-N 0 0 344.411 3.020 20 10 EGCDRN COc1ccc(N(C)CC2CCN(C(=O)C(C)(C)C)CC2)c(OC)c1 ZINC000160995062 455521128 /nfs/dbraw/zinc/52/11/28/455521128.db2.gz MEFJUXMTKFQMAV-UHFFFAOYSA-N 0 0 348.487 3.425 20 10 EGCDRN CN1CCCc2cc(CNC(=O)c3ccncc3C(F)(F)F)ccc21 ZINC000192196272 455571548 /nfs/dbraw/zinc/57/15/48/455571548.db2.gz MOVJJXXFECSJBC-UHFFFAOYSA-N 0 0 349.356 3.413 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3ccoc3Cl)CC2)cc1F ZINC000192395515 455606334 /nfs/dbraw/zinc/60/63/34/455606334.db2.gz RIXALHQYTIRWQK-UHFFFAOYSA-N 0 0 338.766 3.043 20 10 EGCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1OCCc2sccc21 ZINC000292310601 455624794 /nfs/dbraw/zinc/62/47/94/455624794.db2.gz WDEXJRLOVMLCDR-YVEFUNNKSA-N 0 0 346.452 3.298 20 10 EGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCCCO ZINC000284404530 455679602 /nfs/dbraw/zinc/67/96/02/455679602.db2.gz ZYTIRQDKWYJJKZ-UHFFFAOYSA-N 0 0 334.441 3.206 20 10 EGCDRN CCCN1C(=O)CCc2cc(NC(=O)c3cccc(O)c3O)ccc21 ZINC000193152683 455744149 /nfs/dbraw/zinc/74/41/49/455744149.db2.gz NMIXCOZORNBYLN-UHFFFAOYSA-N 0 0 340.379 3.039 20 10 EGCDRN CC[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccccc1O ZINC000186424347 455765698 /nfs/dbraw/zinc/76/56/98/455765698.db2.gz WKYCSPOZVSTULV-MRXNPFEDSA-N 0 0 338.411 3.330 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)CCCO ZINC000271806600 455767494 /nfs/dbraw/zinc/76/74/94/455767494.db2.gz ODHGYWFOWCWKSU-UHFFFAOYSA-N 0 0 349.519 3.471 20 10 EGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1 ZINC000293012613 455771363 /nfs/dbraw/zinc/77/13/63/455771363.db2.gz PXHDJAGPOPOTOV-UHFFFAOYSA-N 0 0 341.289 3.047 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCOC2(CCC2)C1 ZINC000269071863 455782084 /nfs/dbraw/zinc/78/20/84/455782084.db2.gz GPWIJFKZOSNVCZ-KRWDZBQOSA-N 0 0 343.471 3.188 20 10 EGCDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnc1Cl ZINC000193961696 455787651 /nfs/dbraw/zinc/78/76/51/455787651.db2.gz NTLNPOMPTKGJRQ-JTQLQIEISA-N 0 0 335.791 3.207 20 10 EGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278212342 455787951 /nfs/dbraw/zinc/78/79/51/455787951.db2.gz KJFMSHMMSZALHW-CQSZACIVSA-N 0 0 328.368 3.299 20 10 EGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@H]1OCCc2sccc21 ZINC000293514718 455789081 /nfs/dbraw/zinc/78/90/81/455789081.db2.gz XQCAQDHWJVQVKF-SJKOYZFVSA-N 0 0 331.437 3.362 20 10 EGCDRN COc1c(O)c(C[N@H+](C)[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278221191 455789842 /nfs/dbraw/zinc/78/98/42/455789842.db2.gz LNWNXQNIIMFDAJ-NSHDSACASA-N 0 0 332.356 3.208 20 10 EGCDRN CC(C)c1cnc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000194011822 455791654 /nfs/dbraw/zinc/79/16/54/455791654.db2.gz MWNWNEDOAHXMMH-JTQLQIEISA-N 0 0 335.429 3.430 20 10 EGCDRN CSCc1cnc(CNCc2ccc(N3CCOCC3)cc2)s1 ZINC000293658549 455793784 /nfs/dbraw/zinc/79/37/84/455793784.db2.gz TUPHPGPRIIIVDH-UHFFFAOYSA-N 0 0 349.525 3.133 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(F)(F)F ZINC000269153666 455800147 /nfs/dbraw/zinc/80/01/47/455800147.db2.gz MCSTXBQFASFYDV-UHFFFAOYSA-N 0 0 326.112 3.066 20 10 EGCDRN CN1CCCc2cc(CNC(=O)c3ccc(N)cc3Cl)ccc21 ZINC000269229207 455816662 /nfs/dbraw/zinc/81/66/62/455816662.db2.gz BZHAVUCXPUKTRR-UHFFFAOYSA-N 0 0 329.831 3.235 20 10 EGCDRN CC/C(C)=C/C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000294457861 455817238 /nfs/dbraw/zinc/81/72/38/455817238.db2.gz MNDBQKNUYNZXFL-JQDFIBCJSA-N 0 0 334.435 3.412 20 10 EGCDRN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000269260791 455823170 /nfs/dbraw/zinc/82/31/70/455823170.db2.gz WBWQGTWSQBOAFM-GOSISDBHSA-N 0 0 334.423 3.062 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1coc2c1C(=O)CCC2 ZINC000294826427 455828247 /nfs/dbraw/zinc/82/82/47/455828247.db2.gz DRYOWAKWMBUKPO-UHFFFAOYSA-N 0 0 339.391 3.313 20 10 EGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)N(C(=O)OC(C)(C)C)C1CC1 ZINC000294802714 455828821 /nfs/dbraw/zinc/82/88/21/455828821.db2.gz IOYOFVZPQOGXLY-ZDUSSCGKSA-N 0 0 348.443 3.139 20 10 EGCDRN CN(Cc1nc[nH]n1)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294877964 455831443 /nfs/dbraw/zinc/83/14/43/455831443.db2.gz QOPWYNMECHZJKY-UHFFFAOYSA-N 0 0 327.457 3.135 20 10 EGCDRN CC(C)(CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000295027689 455835522 /nfs/dbraw/zinc/83/55/22/455835522.db2.gz OGHLIUKZIBHYBR-UHFFFAOYSA-N 0 0 344.499 3.338 20 10 EGCDRN Cc1cc(NS(=O)(=O)CCC2Cc3ccccc3C2)ccc1O ZINC000253433213 455848380 /nfs/dbraw/zinc/84/83/80/455848380.db2.gz UDHKTFSRDLCISF-UHFFFAOYSA-N 0 0 331.437 3.247 20 10 EGCDRN Cc1cncc(/C=C\C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1 ZINC000254957204 455857647 /nfs/dbraw/zinc/85/76/47/455857647.db2.gz YXFAFVHPPIZANA-QULHZPMSSA-N 0 0 344.418 3.430 20 10 EGCDRN O=C(/C=C\c1cncc(F)c1)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000255111687 455860886 /nfs/dbraw/zinc/86/08/86/455860886.db2.gz PCEKCBXZZBSEGI-HPFMTEOYSA-N 0 0 348.381 3.261 20 10 EGCDRN COC(=O)c1nc([C@H]2CCCN2Cc2ccccc2O)sc1C ZINC000279725913 455871413 /nfs/dbraw/zinc/87/14/13/455871413.db2.gz VFNYINVEBZSRPT-CYBMUJFWSA-N 0 0 332.425 3.281 20 10 EGCDRN O=C(Cc1ccc2n[nH]cc2c1)NCc1c(O)ccc2c1CCCC2 ZINC000279982933 455879581 /nfs/dbraw/zinc/87/95/81/455879581.db2.gz QXRVNOYMINSVBQ-UHFFFAOYSA-N 0 0 335.407 3.006 20 10 EGCDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000194892798 455897447 /nfs/dbraw/zinc/89/74/47/455897447.db2.gz SMHSETAJKZRYNE-UHFFFAOYSA-N 0 0 340.379 3.418 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCc2cc(C)ccn2)cc1 ZINC000296387567 455925534 /nfs/dbraw/zinc/92/55/34/455925534.db2.gz QEXJEOCJROQHBF-UHFFFAOYSA-N 0 0 326.444 3.236 20 10 EGCDRN CCOc1cccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c1O ZINC000187582115 455927483 /nfs/dbraw/zinc/92/74/83/455927483.db2.gz QADFJBSUOIODRO-UHFFFAOYSA-N 0 0 325.412 3.276 20 10 EGCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000270540467 455979441 /nfs/dbraw/zinc/97/94/41/455979441.db2.gz JPZMORFEMXSZQG-SIIHOXLZSA-N 0 0 335.444 3.130 20 10 EGCDRN COC1(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CCC1 ZINC000272529770 455984106 /nfs/dbraw/zinc/98/41/06/455984106.db2.gz AXCXOXWGYUTKAY-UHFFFAOYSA-N 0 0 333.476 3.242 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](C)c2nnc(C)[nH]2)c(C)n1-c1cccc(C)c1 ZINC000286258303 456010021 /nfs/dbraw/zinc/01/00/21/456010021.db2.gz FKTJWSUYFGBHJP-ZDUSSCGKSA-N 0 0 337.427 3.320 20 10 EGCDRN CC[C@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(F)cc1O ZINC000286325123 456024410 /nfs/dbraw/zinc/02/44/10/456024410.db2.gz YDBYCQSAKQFKKD-INIZCTEOSA-N 0 0 332.375 3.349 20 10 EGCDRN Cc1ccc([C@@H](C)[NH2+]CCCn2cc(Br)cn2)c(O)c1 ZINC000287183584 456063527 /nfs/dbraw/zinc/06/35/27/456063527.db2.gz CTMNBRAYRONVLL-GFCCVEGCSA-N 0 0 338.249 3.401 20 10 EGCDRN CC[C@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1cccc(Cl)c1[O-] ZINC000287611883 456073949 /nfs/dbraw/zinc/07/39/49/456073949.db2.gz JHGRUDZGWBDAQA-ZENOOKHLSA-N 0 0 326.868 3.196 20 10 EGCDRN CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287656163 456074745 /nfs/dbraw/zinc/07/47/45/456074745.db2.gz LNJLCGVMEJNATN-GFCCVEGCSA-N 0 0 340.272 3.174 20 10 EGCDRN Cc1cc(C(=O)NC[C@H]2CCCSC2)c(C)n1-c1ccccn1 ZINC000288545412 456099356 /nfs/dbraw/zinc/09/93/56/456099356.db2.gz YXGRPHXTCVBFHP-OAHLLOKOSA-N 0 0 329.469 3.362 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)OC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000288556960 456099431 /nfs/dbraw/zinc/09/94/31/456099431.db2.gz JETZPVNJDRCHFL-BDJLRTHQSA-N 0 0 346.814 3.181 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](C2CC2)C1 ZINC000288906239 456108702 /nfs/dbraw/zinc/10/87/02/456108702.db2.gz QQTOTKQNNKCWAM-GOSISDBHSA-N 0 0 325.456 3.394 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1scnc1COC ZINC000289133338 456116323 /nfs/dbraw/zinc/11/63/23/456116323.db2.gz VNVRRNLJODZECX-UHFFFAOYSA-N 0 0 334.441 3.438 20 10 EGCDRN CC(=O)c1cc(F)cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000289462508 456125630 /nfs/dbraw/zinc/12/56/30/456125630.db2.gz GQPYFQJNZRMIPO-WMZOPIPTSA-N 0 0 333.403 3.267 20 10 EGCDRN CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Br)ccc1O ZINC000229549216 456129503 /nfs/dbraw/zinc/12/95/03/456129503.db2.gz OQRGPDDYLOUEDD-GXSJLCMTSA-N 0 0 342.155 3.119 20 10 EGCDRN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000289849047 456154127 /nfs/dbraw/zinc/15/41/27/456154127.db2.gz QJHIPJJRORXNEB-ODYMNIRHSA-N 0 0 333.378 3.487 20 10 EGCDRN CC(C)[C@@H]1C[C@@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000273045534 456158252 /nfs/dbraw/zinc/15/82/52/456158252.db2.gz AQJWMMMKRJIXSJ-YJBOKZPZSA-N 0 0 346.471 3.319 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2nnc(C(C)(C)C)s2)cc1 ZINC000281198949 456161964 /nfs/dbraw/zinc/16/19/64/456161964.db2.gz POPQEHHUKCMWGM-UHFFFAOYSA-N 0 0 332.473 3.174 20 10 EGCDRN CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(N)cc2)c1C ZINC000236748444 456178929 /nfs/dbraw/zinc/17/89/29/456178929.db2.gz IBGVFLSIRBTZGI-UHFFFAOYSA-N 0 0 325.412 3.497 20 10 EGCDRN Fc1cc(CNc2nnc(C3CC3)s2)ccc1N1CCOCC1 ZINC000301717685 456195694 /nfs/dbraw/zinc/19/56/94/456195694.db2.gz HWJIBRBNJYELOE-UHFFFAOYSA-N 0 0 334.420 3.003 20 10 EGCDRN CCn1cc([C@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000297396801 456209196 /nfs/dbraw/zinc/20/91/96/456209196.db2.gz MEJOIEVKYZSXPU-ZDUSSCGKSA-N 0 0 342.443 3.048 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000297436776 456220383 /nfs/dbraw/zinc/22/03/83/456220383.db2.gz VUUKNAMDURYBHO-VXGBXAGGSA-N 0 0 347.286 3.196 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1 ZINC000273393163 456226408 /nfs/dbraw/zinc/22/64/08/456226408.db2.gz LICVTXOQNPILSY-BLLLJJGKSA-N 0 0 348.468 3.194 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000273401811 456229177 /nfs/dbraw/zinc/22/91/77/456229177.db2.gz NGRXNOIIRUIVQI-SWLSCSKDSA-N 0 0 348.468 3.194 20 10 EGCDRN C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273463066 456232039 /nfs/dbraw/zinc/23/20/39/456232039.db2.gz DEQPUSAPKBNEHJ-ZFWWWQNUSA-N 0 0 330.384 3.117 20 10 EGCDRN C[C@@H](Nc1nc(N)c2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000301850577 456232497 /nfs/dbraw/zinc/23/24/97/456232497.db2.gz AXZRMLXSKHXFPC-CQSZACIVSA-N 0 0 349.438 3.222 20 10 EGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273467877 456233054 /nfs/dbraw/zinc/23/30/54/456233054.db2.gz JGYACVNTVYAVRW-AADNMHCOSA-N 0 0 332.400 3.299 20 10 EGCDRN C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273529580 456236761 /nfs/dbraw/zinc/23/67/61/456236761.db2.gz VZFAPFZYXRBGCB-ACJLOTCBSA-N 0 0 342.395 3.465 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c1 ZINC000273580446 456239391 /nfs/dbraw/zinc/23/93/91/456239391.db2.gz MMQGKCPQKOPFOT-NSHDSACASA-N 0 0 334.803 3.121 20 10 EGCDRN CC[C@@H]1[C@@H](C)CCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000274767219 456264284 /nfs/dbraw/zinc/26/42/84/456264284.db2.gz HVTGAKFUZCPFMN-MKTWQISGSA-N 0 0 328.456 3.183 20 10 EGCDRN Cc1cccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1O 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1376472942 /nfs/dbraw/zinc/47/29/42/1376472942.db2.gz IAMGVRXPTNUTHK-UHFFFAOYSA-N 0 0 339.414 3.467 20 10 EGCDRN COc1ccc(N2CCN(Cc3cc(F)c(OC)cc3F)CC2)cc1 ZINC001233340529 1376621684 /nfs/dbraw/zinc/62/16/84/1376621684.db2.gz GYODKPYYRSGCRC-UHFFFAOYSA-N 0 0 348.393 3.304 20 10 EGCDRN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1cc(O)c(O)cc1O ZINC001233487273 1376653284 /nfs/dbraw/zinc/65/32/84/1376653284.db2.gz WZUQMZKXBXOXIB-HNNXBMFYSA-N 0 0 329.396 3.287 20 10 EGCDRN Cc1cc(Br)c(O)c(CN2CCCC(=O)[C@H](C)C2)c1 ZINC001236662789 1376959822 /nfs/dbraw/zinc/95/98/22/1376959822.db2.gz HPVJTTMDUUJNSP-LLVKDONJSA-N 0 0 326.234 3.264 20 10 EGCDRN Oc1ccc(CCc2nc(-c3ccc(F)c(F)c3F)no2)cc1O ZINC001248984600 1377071804 /nfs/dbraw/zinc/07/18/04/1377071804.db2.gz VKACTWNDBMEUQH-UHFFFAOYSA-N 0 0 336.269 3.350 20 10 EGCDRN c1nc(CN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c[nH]1 ZINC001136874980 1377433641 /nfs/dbraw/zinc/43/36/41/1377433641.db2.gz LYRCBINPFZNUIJ-UHFFFAOYSA-N 0 0 348.450 3.311 20 10 EGCDRN 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COc1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)cc1 ZINC000294364669 455812950 /nfs/dbraw/zinc/81/29/50/455812950.db2.gz MTCZZKYNZRROFP-UHFFFAOYSA-N 0 0 342.361 3.076 20 10 EGCDRN Cc1cc(C(=O)NCCc2nccnc2C)c(C)n1-c1ccccc1 ZINC000294623552 455821776 /nfs/dbraw/zinc/82/17/76/455821776.db2.gz QBORJRWMGGWXSA-UHFFFAOYSA-N 0 0 334.423 3.165 20 10 EGCDRN CCOc1cccc(CNc2cccc(NC(=O)N(C)C)c2)c1O ZINC000294690091 455824126 /nfs/dbraw/zinc/82/41/26/455824126.db2.gz AMJRMMIZMINBSV-UHFFFAOYSA-N 0 0 329.400 3.497 20 10 EGCDRN O=C(NCCc1ccc(O)c(O)c1)C1(c2cccc(Cl)c2)CC1 ZINC000269263618 455824154 /nfs/dbraw/zinc/82/41/54/455824154.db2.gz ZVSHTNOTTYUKMX-UHFFFAOYSA-N 0 0 331.799 3.142 20 10 EGCDRN C[C@@H]1CC=CC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000285385194 455833564 /nfs/dbraw/zinc/83/35/64/455833564.db2.gz CYCYYUSYNHBAHW-OXQOHEQNSA-N 0 0 342.483 3.114 20 10 EGCDRN COC1CCN(c2ccc(CN(C)Cc3nccs3)cc2)CC1 ZINC000295044851 455836447 /nfs/dbraw/zinc/83/64/47/455836447.db2.gz OGABAMSBKOAEPW-UHFFFAOYSA-N 0 0 331.485 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/nfs/dbraw/zinc/85/05/18/455850518.db2.gz VPXQCAPYNOVXFA-RFAUZJTJSA-N 0 0 334.243 3.137 20 10 EGCDRN CCOc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2O)ccc1OC ZINC000278936947 455854270 /nfs/dbraw/zinc/85/42/70/455854270.db2.gz XDODFTXBJJRPKK-UHFFFAOYSA-N 0 0 348.355 3.328 20 10 EGCDRN COC(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)OC ZINC000194529845 455854645 /nfs/dbraw/zinc/85/46/45/455854645.db2.gz QFHMSVXJQAPWNI-HNNXBMFYSA-N 0 0 348.468 3.440 20 10 EGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCCO2)cc1 ZINC000270016763 455857489 /nfs/dbraw/zinc/85/74/89/455857489.db2.gz HORYLCQLTUSGSM-GOSISDBHSA-N 0 0 328.412 3.053 20 10 EGCDRN Oc1cccc2c1[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)CC2 ZINC000295775955 455859567 /nfs/dbraw/zinc/85/95/67/455859567.db2.gz AOCCQAYELULELS-MOPGFXCFSA-N 0 0 338.451 3.043 20 10 EGCDRN COC(=O)[C@H]1CCN(C(=O)/C=C\c2cnc(C)s2)c2ccccc21 ZINC000255103992 455860211 /nfs/dbraw/zinc/86/02/11/455860211.db2.gz ZAHJUSDCYDPDCB-LZNQSLFOSA-N 0 0 342.420 3.158 20 10 EGCDRN Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)CC2 ZINC000295844720 455861978 /nfs/dbraw/zinc/86/19/78/455861978.db2.gz FSHVCPBNTSWZSZ-IBGZPJMESA-N 0 0 338.451 3.002 20 10 EGCDRN Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCCc2cccc(O)c21 ZINC000255500761 455868451 /nfs/dbraw/zinc/86/84/51/455868451.db2.gz BVEAGSLPCPZCRY-HJWRWDBZSA-N 0 0 331.803 3.080 20 10 EGCDRN COCCC[C@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000272191526 455872356 /nfs/dbraw/zinc/87/23/56/455872356.db2.gz VOJOEVAQALKGAM-AWEZNQCLSA-N 0 0 338.411 3.398 20 10 EGCDRN CC[C@@H](Nc1ccc(OCC(=O)NC)cc1)c1ccc(C)cc1O ZINC000279972260 455879657 /nfs/dbraw/zinc/87/96/57/455879657.db2.gz DBSMMZNCNLMYOI-QGZVFWFLSA-N 0 0 328.412 3.389 20 10 EGCDRN CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(F)cc1[O-] ZINC000285825006 455923965 /nfs/dbraw/zinc/92/39/65/455923965.db2.gz WQHIDQVBRHVSMN-HNNXBMFYSA-N 0 0 332.423 3.133 20 10 EGCDRN CCn1cc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000296416949 455932970 /nfs/dbraw/zinc/93/29/70/455932970.db2.gz SCZHGIAYSGOUNL-OAHLLOKOSA-N 0 0 341.459 3.064 20 10 EGCDRN CC[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C)cc1O ZINC000280278213 455934631 /nfs/dbraw/zinc/93/46/31/455934631.db2.gz YKIBCLDBKLKZFJ-UONOGXRCSA-N 0 0 344.377 3.295 20 10 EGCDRN COCC(=O)N1CCc2cc(N[C@@H](C)c3cc(C)ccc3O)ccc21 ZINC000187661927 455936160 /nfs/dbraw/zinc/93/61/60/455936160.db2.gz BVEHPLZNPYVFAP-AWEZNQCLSA-N 0 0 340.423 3.409 20 10 EGCDRN CC[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(F)cc1[O-] ZINC000286091222 455975844 /nfs/dbraw/zinc/97/58/44/455975844.db2.gz MSQAIEHUCCQGOO-QGZVFWFLSA-N 0 0 336.451 3.217 20 10 EGCDRN COc1cc(CN(C)c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000272513971 455977806 /nfs/dbraw/zinc/97/78/06/455977806.db2.gz JRGAOSCUCJJDAG-UHFFFAOYSA-N 0 0 331.368 3.078 20 10 EGCDRN Cc1ccc([C@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(O)c1C ZINC000296618508 455990756 /nfs/dbraw/zinc/99/07/56/455990756.db2.gz WSWLIDCJLXBODH-YESZJQIVSA-N 0 0 338.451 3.351 20 10 EGCDRN C[C@H]1CCCN(c2ccc(CN3C(=O)NC4(CC4)C3=O)cc2Cl)C1 ZINC000286207476 456000377 /nfs/dbraw/zinc/00/03/77/456000377.db2.gz INCYYCRTRCPDEU-LBPRGKRZSA-N 0 0 347.846 3.161 20 10 EGCDRN Cc1nnc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[nH]1 ZINC000286230033 456004958 /nfs/dbraw/zinc/00/49/58/456004958.db2.gz CPMRRYQUBKXBGN-LLVKDONJSA-N 0 0 341.390 3.151 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@@](C)(O)CC2)c(C)n1-c1ccccc1 ZINC000280578679 456005516 /nfs/dbraw/zinc/00/55/16/456005516.db2.gz MWBXLSHSUSXFFI-HXUWFJFHSA-N 0 0 326.440 3.471 20 10 EGCDRN C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3O)cc2)C[C@H](C)O1 ZINC000280609129 456011979 /nfs/dbraw/zinc/01/19/79/456011979.db2.gz DGKRFZCVXXJPRP-GJZGRUSLSA-N 0 0 340.423 3.254 20 10 EGCDRN Cc1noc(C)c1C(C)(C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000280671299 456027138 /nfs/dbraw/zinc/02/71/38/456027138.db2.gz GECNZOAPCXYARU-UHFFFAOYSA-N 0 0 342.439 3.470 20 10 EGCDRN Cc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(O)c1O ZINC000286361934 456033647 /nfs/dbraw/zinc/03/36/47/456033647.db2.gz TTXDYRMXRUSIJV-YGRLFVJLSA-N 0 0 330.211 3.062 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1299799160 /nfs/dbraw/zinc/79/91/60/1299799160.db2.gz LARAAFWGOSDOPG-UHFFFAOYSA-N 0 0 339.439 3.416 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(SC)cn2)c1 ZINC000752837090 1299803879 /nfs/dbraw/zinc/80/38/79/1299803879.db2.gz BOZMKJPLROIMFQ-JTQLQIEISA-N 0 0 333.413 3.400 20 10 EGCDRN CO[C@@H]1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 ZINC000752903592 1299815737 /nfs/dbraw/zinc/81/57/37/1299815737.db2.gz JYIKLMYTEHVUMI-LJQANCHMSA-N 0 0 345.487 3.386 20 10 EGCDRN CCn1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1C1CC1 ZINC000878219301 1299836189 /nfs/dbraw/zinc/83/61/89/1299836189.db2.gz JGBMLSHMFLRHPW-UHFFFAOYSA-N 0 0 338.455 3.311 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCOC2CCOCC2)cc1 ZINC000753190746 1299891817 /nfs/dbraw/zinc/89/18/17/1299891817.db2.gz KAHWJJRKOACDMS-UHFFFAOYSA-N 0 0 348.487 3.077 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000753551473 1299971634 /nfs/dbraw/zinc/97/16/34/1299971634.db2.gz QIHDXRKHKMTSQK-IAGOWNOFSA-N 0 0 333.476 3.098 20 10 EGCDRN COC(=O)COc1ccc(N(C)C[C@H](C)c2ccc(OC)cc2)cc1 ZINC000753591660 1299983080 /nfs/dbraw/zinc/98/30/80/1299983080.db2.gz NJUWQFKFHLMCAM-HNNXBMFYSA-N 0 0 343.423 3.487 20 10 EGCDRN COc1ccc(N2CCN(Cc3ccc(F)c(F)c3)CC2)cc1F ZINC000753858562 1300031166 /nfs/dbraw/zinc/03/11/66/1300031166.db2.gz WJQFXYJVHNTGKQ-UHFFFAOYSA-N 0 0 336.357 3.435 20 10 EGCDRN Cc1cc(C(=O)CN2CCOC[C@H](C)C2)c(C)n1-c1cccc(F)c1 ZINC000754381915 1300133076 /nfs/dbraw/zinc/13/30/76/1300133076.db2.gz PEBNEZLDIIVWNP-CQSZACIVSA-N 0 0 344.430 3.384 20 10 EGCDRN O=C(Cc1cccnc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754536528 1300160666 /nfs/dbraw/zinc/16/06/66/1300160666.db2.gz QMQHCZUCTPBOQD-UHFFFAOYSA-N 0 0 342.354 3.038 20 10 EGCDRN CCOc1ccc(CN[C@@H](CC2CCCCC2)C(=O)OC)c(O)c1 ZINC000756145587 1300444932 /nfs/dbraw/zinc/44/49/32/1300444932.db2.gz BLJAVROKLCQJGE-KRWDZBQOSA-N 0 0 335.444 3.393 20 10 EGCDRN CCOC(=O)N[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CC(C)C ZINC000756381486 1300481098 /nfs/dbraw/zinc/48/10/98/1300481098.db2.gz LWBVAOJIICAJNW-YPMHNXCESA-N 0 0 344.402 3.482 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Br)cc(F)c1[O-] ZINC000756405175 1300484554 /nfs/dbraw/zinc/48/45/54/1300484554.db2.gz XQPXKVYOOULSOB-VHSXEESVSA-N 0 0 342.212 3.230 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@H]2C)c1 ZINC000756410322 1300486108 /nfs/dbraw/zinc/48/61/08/1300486108.db2.gz GSKGRQUOJBEUDO-ILXRZTDVSA-N 0 0 334.460 3.092 20 10 EGCDRN C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756440693 1300492127 /nfs/dbraw/zinc/49/21/27/1300492127.db2.gz GEROLIBHEBYHSE-BLLLJJGKSA-N 0 0 332.404 3.262 20 10 EGCDRN C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756448344 1300493658 /nfs/dbraw/zinc/49/36/58/1300493658.db2.gz BFVXERKFEYAPPO-AWEZNQCLSA-N 0 0 329.400 3.083 20 10 EGCDRN C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756453395 1300495092 /nfs/dbraw/zinc/49/50/92/1300495092.db2.gz GMDZOWMZVSJMIT-CXAGYDPISA-N 0 0 330.403 3.402 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)COc2cccc(F)c2)c1 ZINC000756457916 1300496418 /nfs/dbraw/zinc/49/64/18/1300496418.db2.gz ICRJGCAWVIZOQC-QWHCGFSZSA-N 0 0 347.386 3.436 20 10 EGCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756458972 1300497775 /nfs/dbraw/zinc/49/77/75/1300497775.db2.gz VTLHBIADHDYAEO-OLZOCXBDSA-N 0 0 328.368 3.202 20 10 EGCDRN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756535984 1300516488 /nfs/dbraw/zinc/51/64/88/1300516488.db2.gz SZEFBCKCOJCLIT-VIFPVBQESA-N 0 0 338.310 3.438 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Br)c(F)cc1[O-] ZINC000756571660 1300524535 /nfs/dbraw/zinc/52/45/35/1300524535.db2.gz CVFVAYISGFCCDA-HJIKLVIJSA-N 0 0 332.213 3.248 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)c1 ZINC000756607593 1300530034 /nfs/dbraw/zinc/53/00/34/1300530034.db2.gz FTILAWRXQVNBEN-STQMWFEESA-N 0 0 347.386 3.436 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000756607587 1300530911 /nfs/dbraw/zinc/53/09/11/1300530911.db2.gz FTILAWRXQVNBEN-OLZOCXBDSA-N 0 0 347.386 3.436 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756639789 1300539319 /nfs/dbraw/zinc/53/93/19/1300539319.db2.gz FDWKDXWUARGQKJ-MRVPVSSYSA-N 0 0 340.210 3.044 20 10 EGCDRN CCN(Cc1cccc(F)c1)C(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000756654773 1300542223 /nfs/dbraw/zinc/54/22/23/1300542223.db2.gz MNBBHTULIKVOQY-UHFFFAOYSA-N 0 0 344.386 3.039 20 10 EGCDRN C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756708418 1300549731 /nfs/dbraw/zinc/54/97/31/1300549731.db2.gz SRPBINHMQWRKHT-JTQLQIEISA-N 0 0 338.310 3.308 20 10 EGCDRN C[C@H]([NH2+][C@H](CCO)C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000756737411 1300556173 /nfs/dbraw/zinc/55/61/73/1300556173.db2.gz GIXKIRLWBPJZNQ-ISVAXAHUSA-N 0 0 332.213 3.105 20 10 EGCDRN Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[n-]2)c1 ZINC000756742454 1300557965 /nfs/dbraw/zinc/55/79/65/1300557965.db2.gz MSOZATTZVWDUFE-LBPRGKRZSA-N 0 0 326.375 3.476 20 10 EGCDRN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756768094 1300562823 /nfs/dbraw/zinc/56/28/23/1300562823.db2.gz JBWFOTULPXOIKA-WDEREUQCSA-N 0 0 344.402 3.482 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756768992 1300562949 /nfs/dbraw/zinc/56/29/49/1300562949.db2.gz GZQGHPRNZFBPNZ-ZBWQRKBMSA-N 0 0 348.424 3.450 20 10 EGCDRN COc1c(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cccc1C(N)=O ZINC000757658751 1300705894 /nfs/dbraw/zinc/70/58/94/1300705894.db2.gz KTHXGLOOCYPVQE-TVQRCGJNSA-N 0 0 330.359 3.299 20 10 EGCDRN COc1ccc(-c2nnc(COc3ccc(N(C)C)cc3)o2)cc1 ZINC000757718839 1300720650 /nfs/dbraw/zinc/72/06/50/1300720650.db2.gz YIDFHFFRUAWHKD-UHFFFAOYSA-N 0 0 325.368 3.390 20 10 EGCDRN CCOc1ccc(NC(=O)CN(C)c2ccc(OC)c(F)c2)cc1 ZINC000757852141 1300747514 /nfs/dbraw/zinc/74/75/14/1300747514.db2.gz WGMRYIIDIYONEY-UHFFFAOYSA-N 0 0 332.375 3.308 20 10 EGCDRN COC(C)(C)C[N@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000758412701 1300876726 /nfs/dbraw/zinc/87/67/26/1300876726.db2.gz SUCHEQNDFGYNTP-UHFFFAOYSA-N 0 0 343.423 3.186 20 10 EGCDRN CCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000758493571 1300897208 /nfs/dbraw/zinc/89/72/08/1300897208.db2.gz KAUSBBNITASUMX-HNNXBMFYSA-N 0 0 333.476 3.320 20 10 EGCDRN O=C(OCc1cc(-c2ccc(F)cc2)no1)c1cccc(O)c1O ZINC000758570804 1300913471 /nfs/dbraw/zinc/91/34/71/1300913471.db2.gz AHPNHWOVRWSEPV-UHFFFAOYSA-N 0 0 329.283 3.249 20 10 EGCDRN COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1Cl ZINC000758883870 1300972357 /nfs/dbraw/zinc/97/23/57/1300972357.db2.gz YDTMBGHBHKRKDU-UHFFFAOYSA-N 0 0 336.794 3.484 20 10 EGCDRN CCO[C@H]1COCC[C@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000759206725 1301041983 /nfs/dbraw/zinc/04/19/83/1301041983.db2.gz DACUBQRDAFQTRE-MOPGFXCFSA-N 0 0 342.439 3.018 20 10 EGCDRN CCCC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000759222840 1301045558 /nfs/dbraw/zinc/04/55/58/1301045558.db2.gz VSSXXXGNLJENLD-UHFFFAOYSA-N 0 0 344.499 3.482 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)c3c[nH]cc3C3CC3)C2)cc1 ZINC000880343766 1301072706 /nfs/dbraw/zinc/07/27/06/1301072706.db2.gz GIQGBJXYJDLWOB-CQSZACIVSA-N 0 0 339.439 3.157 20 10 EGCDRN C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1ccc(F)cc1 ZINC000759581505 1301121906 /nfs/dbraw/zinc/12/19/06/1301121906.db2.gz WAVZYZMDZHTZGT-QSADENFPSA-N 0 0 330.311 3.065 20 10 EGCDRN C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1ccc(F)cc1F ZINC000759593015 1301124671 /nfs/dbraw/zinc/12/46/71/1301124671.db2.gz ICHDSQFVGOGDRS-KFEJWOFMSA-N 0 0 348.301 3.204 20 10 EGCDRN Cc1cc(C(=O)NC[C@H](O)C2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000759641495 1301134667 /nfs/dbraw/zinc/13/46/67/1301134667.db2.gz UWWHGIOVIGXOEU-KRWDZBQOSA-N 0 0 332.831 3.248 20 10 EGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CC23CCC3)cc1 ZINC000759766663 1301157746 /nfs/dbraw/zinc/15/77/46/1301157746.db2.gz ICVIGUPDVOSBSC-RBUKOAKNSA-N 0 0 342.483 3.450 20 10 EGCDRN Cc1cc(C(=O)NCCc2ccn(C)n2)c(C)n1-c1ccccc1C ZINC000760667504 1301318647 /nfs/dbraw/zinc/31/86/47/1301318647.db2.gz BHVOFXCHZMBYSE-UHFFFAOYSA-N 0 0 336.439 3.109 20 10 EGCDRN C[C@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761112715 1301404564 /nfs/dbraw/zinc/40/45/64/1301404564.db2.gz LGSJNIPEGMVFPZ-KBXCAEBGSA-N 0 0 338.411 3.496 20 10 EGCDRN Cc1cc(C)cc(OCCn2cc(COc3ccc(N)cc3)nn2)c1 ZINC000881059835 1301414596 /nfs/dbraw/zinc/41/45/96/1301414596.db2.gz NHAMAJZBPOJKSD-UHFFFAOYSA-N 0 0 338.411 3.135 20 10 EGCDRN Cc1ccccc1[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O ZINC000761225934 1301424419 /nfs/dbraw/zinc/42/44/19/1301424419.db2.gz NHOLZQNVNYKQOG-KRWDZBQOSA-N 0 0 330.815 3.027 20 10 EGCDRN O=C1CN(Cc2ccccc2)C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000761365207 1301449843 /nfs/dbraw/zinc/44/98/43/1301449843.db2.gz WABRPYILNQAWIB-UHFFFAOYSA-N 0 0 347.418 3.027 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCNc2ccccc2C)c1 ZINC000761983969 1301583647 /nfs/dbraw/zinc/58/36/47/1301583647.db2.gz UOMYCQQDOOKOOI-AWEZNQCLSA-N 0 0 328.412 3.389 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2CC(C)(C)OC2=O)c(C)n1-c1cccc(C)c1 ZINC000762042135 1301597840 /nfs/dbraw/zinc/59/78/40/1301597840.db2.gz USUZDGMHHQWGPI-QGZVFWFLSA-N 0 0 340.423 3.226 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2csc(NC)n2)cc1 ZINC000762185456 1301630873 /nfs/dbraw/zinc/63/08/73/1301630873.db2.gz QOUMRFTXAMMXCD-UHFFFAOYSA-N 0 0 332.473 3.303 20 10 EGCDRN Cc1cccc(C2(C(=O)NCCc3ccc(O)c(O)c3)CCC2)c1 ZINC000762275208 1301651701 /nfs/dbraw/zinc/65/17/01/1301651701.db2.gz OGDXOKOOFJHEQR-UHFFFAOYSA-N 0 0 325.408 3.187 20 10 EGCDRN CC[C@@H](C)[C@H](O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000762437923 1301679057 /nfs/dbraw/zinc/67/90/57/1301679057.db2.gz UBHIBLVBPDKAEK-KZULUSFZSA-N 0 0 332.419 3.370 20 10 EGCDRN CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000762438947 1301679179 /nfs/dbraw/zinc/67/91/79/1301679179.db2.gz CNDKRWDJDAHXDX-YJYMSZOUSA-N 0 0 344.455 3.240 20 10 EGCDRN CCC(C)(C)c1nnc(N2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000881744987 1301710241 /nfs/dbraw/zinc/71/02/41/1301710241.db2.gz 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C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cc(-c2ccccc2)ccc1O ZINC000271173933 456154103 /nfs/dbraw/zinc/15/41/03/456154103.db2.gz FLCVMAYYDRJQDG-HUYGQZFBSA-N 0 0 329.465 3.401 20 10 EGCDRN CCCOc1ccc(C(=O)NCc2ccc(N)cc2)cc1OCC ZINC000297245459 456161190 /nfs/dbraw/zinc/16/11/90/456161190.db2.gz QEJOWDALTGNPDK-UHFFFAOYSA-N 0 0 328.412 3.386 20 10 EGCDRN COCCN(Cc1ccccn1)Cc1cc(Cl)cc(OC)c1O ZINC000289934283 456187068 /nfs/dbraw/zinc/18/70/68/456187068.db2.gz WPXSSJJCAAADGO-UHFFFAOYSA-N 0 0 336.819 3.098 20 10 EGCDRN COc1ccc(N2CCN(c3nnc(C(C)(C)C)s3)CC2)cc1 ZINC000301709587 456193739 /nfs/dbraw/zinc/19/37/39/456193739.db2.gz DAUIPRDCRRZNIY-UHFFFAOYSA-N 0 0 332.473 3.171 20 10 EGCDRN CCOc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1OCC ZINC000236886078 456198401 /nfs/dbraw/zinc/19/84/01/456198401.db2.gz PHNCEENNIFFWTP-AWEZNQCLSA-N 0 0 342.439 3.486 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000273197836 456210589 /nfs/dbraw/zinc/21/05/89/456210589.db2.gz QWYNSINHSJIXOJ-LYRGGWFBSA-N 0 0 329.371 3.088 20 10 EGCDRN C[C@@H](CCCCO)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000297405752 456211878 /nfs/dbraw/zinc/21/18/78/456211878.db2.gz XJIQKFDNNZEBKJ-KRWDZBQOSA-N 0 0 347.503 3.273 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccccc2)c1 ZINC000273356798 456225454 /nfs/dbraw/zinc/22/54/54/456225454.db2.gz CTDLXDHLLCXFEE-BIENJYKASA-N 0 0 343.423 3.342 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(OC)c2OC)c1 ZINC000273386912 456227261 /nfs/dbraw/zinc/22/72/61/456227261.db2.gz JRBPMAYUFABNJF-LBPRGKRZSA-N 0 0 345.395 3.047 20 10 EGCDRN COCCOc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273405894 456228062 /nfs/dbraw/zinc/22/80/62/456228062.db2.gz OKBYRSYIUFVACU-CYBMUJFWSA-N 0 0 346.383 3.176 20 10 EGCDRN COC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000273431852 456230186 /nfs/dbraw/zinc/23/01/86/456230186.db2.gz DOKANWRKYDHTRO-QGZVFWFLSA-N 0 0 327.424 3.440 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)cc2OC)c1 ZINC000273585208 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COCc1noc(CN(Cc2cccs2)c2ccc(OC)cc2)n1 ZINC000182643218 455559382 /nfs/dbraw/zinc/55/93/82/455559382.db2.gz XBAHIGJVBJLBCK-UHFFFAOYSA-N 0 0 345.424 3.493 20 10 EGCDRN C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1[O-] ZINC000185464191 455561038 /nfs/dbraw/zinc/56/10/38/455561038.db2.gz JSLQEXISDVGNFF-WFASDCNBSA-N 0 0 328.387 3.267 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161520771 455577686 /nfs/dbraw/zinc/57/76/86/455577686.db2.gz ZDMLVSPRRAUJMB-INIZCTEOSA-N 0 0 333.476 3.242 20 10 EGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CCS1 ZINC000192236487 455579257 /nfs/dbraw/zinc/57/92/57/455579257.db2.gz SGAVDPBBBDJWMX-OAHLLOKOSA-N 0 0 333.501 3.324 20 10 EGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@H](c1ccccc1)N(C)C ZINC000185674785 455593882 /nfs/dbraw/zinc/59/38/82/455593882.db2.gz CQRVFZOZVBKHAB-FZKQIMNGSA-N 0 0 329.400 3.081 20 10 EGCDRN CC(C)[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000271317326 455595649 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CC(C)(C)c1nnc(NCc2ccc(N3CCOCC3)cc2)s1 ZINC000268427652 455679914 /nfs/dbraw/zinc/67/99/14/455679914.db2.gz DXXTVISUPAWYCS-UHFFFAOYSA-N 0 0 332.473 3.284 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(F)cc1[O-] ZINC000186199184 455715052 /nfs/dbraw/zinc/71/50/52/455715052.db2.gz KXSZCVBEMXLAID-SNVBAGLBSA-N 0 0 326.318 3.421 20 10 EGCDRN CCNC(=O)COc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000186263469 455728568 /nfs/dbraw/zinc/72/85/68/455728568.db2.gz LPVQUJVSVQFWCP-GFCCVEGCSA-N 0 0 332.375 3.219 20 10 EGCDRN CCOCCCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC000292922847 455766742 /nfs/dbraw/zinc/76/67/42/455766742.db2.gz JXXZLZFVTALUTA-UHFFFAOYSA-N 0 0 346.475 3.344 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000292969476 455768538 /nfs/dbraw/zinc/76/85/38/455768538.db2.gz GJEICLMWZUOJIF-INIZCTEOSA-N 0 0 325.836 3.135 20 10 EGCDRN CCCc1nc(C)c(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])o1 ZINC000293235204 455779673 /nfs/dbraw/zinc/77/96/73/455779673.db2.gz AZQXGDXGDPGTJG-NSHDSACASA-N 0 0 332.400 3.279 20 10 EGCDRN CCN(CC)c1ccc(CNCc2ncn(-c3ccccc3)n2)cc1 ZINC000293338861 455783517 /nfs/dbraw/zinc/78/35/17/455783517.db2.gz HAQADHSUFIIHMY-UHFFFAOYSA-N 0 0 335.455 3.403 20 10 EGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cn2cccnc2n1 ZINC000193989194 455789549 /nfs/dbraw/zinc/78/95/49/455789549.db2.gz ASGLZCFOZHJGAG-UHFFFAOYSA-N 0 0 330.338 3.284 20 10 EGCDRN COc1c(O)c(CNc2ccc([C@@H]3CCOC3)cc2)ccc1[N+](=O)[O-] ZINC000293652103 455793929 /nfs/dbraw/zinc/79/39/29/455793929.db2.gz NBHRMXIDQBSSLM-CQSZACIVSA-N 0 0 344.367 3.425 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000271921600 455799699 /nfs/dbraw/zinc/79/96/99/455799699.db2.gz UMNOODBZVDOJRQ-HNAYVOBHSA-N 0 0 330.472 3.495 20 10 EGCDRN O=C(NCc1ccccc1O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000271947825 455802334 /nfs/dbraw/zinc/80/23/34/455802334.db2.gz IQWVTYDYRVRXFS-HNNXBMFYSA-N 0 0 330.359 3.244 20 10 EGCDRN Cc1occc1-c1cc(NCc2cccc(C)c2O)n(CCO)n1 ZINC000271985647 455812238 /nfs/dbraw/zinc/81/22/38/455812238.db2.gz ONFRQVJNUNVCER-UHFFFAOYSA-N 0 0 327.384 3.070 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@@H](O)CC2)c(C)n1-c1ccccc1C ZINC000294833481 455830245 /nfs/dbraw/zinc/83/02/45/455830245.db2.gz MQDMWYVKRTWHBR-QGZVFWFLSA-N 0 0 326.440 3.390 20 10 EGCDRN COc1cc(O)c(CNc2cccc(NC(=O)N(C)C)c2)cc1OC ZINC000295138535 455841387 /nfs/dbraw/zinc/84/13/87/455841387.db2.gz ZMKBBCFNKYGBDX-UHFFFAOYSA-N 0 0 345.399 3.115 20 10 EGCDRN COC(=O)c1cnc(SCc2cc(C(=O)OC)sc2C)s1 ZINC000295405682 455847766 /nfs/dbraw/zinc/84/77/66/455847766.db2.gz WRWWOHRIYGUWMD-UHFFFAOYSA-N 0 0 343.451 3.379 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COc1ccccc1O ZINC000269441854 455848305 /nfs/dbraw/zinc/84/83/05/455848305.db2.gz JNZBNNKJDVVXDE-UHFFFAOYSA-N 0 0 342.439 3.274 20 10 EGCDRN COc1c(O)c(CN[C@H](C)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000278827031 455849200 /nfs/dbraw/zinc/84/92/00/455849200.db2.gz IGHHMYUROWKICI-SECBINFHSA-N 0 0 338.310 3.438 20 10 EGCDRN CN(C)c1ccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)cc1F ZINC000278822175 455849511 /nfs/dbraw/zinc/84/95/11/455849511.db2.gz UBMATFJYHPTFRJ-UHFFFAOYSA-N 0 0 342.418 3.335 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000278897265 455852562 /nfs/dbraw/zinc/85/25/62/455852562.db2.gz QOEFMAAZQPIQLP-CQSZACIVSA-N 0 0 344.367 3.313 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)NCCC(C)(C)CO)c2C)cc1 ZINC000295735580 455858870 /nfs/dbraw/zinc/85/88/70/455858870.db2.gz ACIBPNHGYNGAHF-UHFFFAOYSA-N 0 0 344.455 3.241 20 10 EGCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCC[C@H](C)O ZINC000279219878 455860533 /nfs/dbraw/zinc/86/05/33/455860533.db2.gz YXOKBTKPPZBERH-NSHDSACASA-N 0 0 329.238 3.348 20 10 EGCDRN CN(C)c1cccc([C@H]2CCCN2C(=O)c2cccc(O)c2O)c1 ZINC000187108015 455870617 /nfs/dbraw/zinc/87/06/17/455870617.db2.gz NUAUZLLMMRRDGY-MRXNPFEDSA-N 0 0 326.396 3.141 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](OC)C(C)(C)C2)cc1 ZINC000296172835 455872520 /nfs/dbraw/zinc/87/25/20/455872520.db2.gz BMVDQKMSDZAISJ-GOSISDBHSA-N 0 0 347.503 3.489 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C2(CC)CCOCC2)cc1F ZINC000272199780 455874486 /nfs/dbraw/zinc/87/44/86/455874486.db2.gz CXNPRZVCDFSQBI-UHFFFAOYSA-N 0 0 336.451 3.495 20 10 EGCDRN CN(C)c1ccc(CNC(=O)c2cccc([C@H]3CCOC3)c2)cc1F ZINC000270459926 455960416 /nfs/dbraw/zinc/96/04/16/455960416.db2.gz IOYZYLSRXZZXQA-KRWDZBQOSA-N 0 0 342.414 3.326 20 10 EGCDRN CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187849473 455961780 /nfs/dbraw/zinc/96/17/80/455961780.db2.gz WBCKEGXIMDDRFH-WDEREUQCSA-N 0 0 336.386 3.051 20 10 EGCDRN C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000280421296 455967745 /nfs/dbraw/zinc/96/77/45/455967745.db2.gz ZFAVJSPLVVCPLC-PXNSSMCTSA-N 0 0 330.472 3.057 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1F ZINC000280529751 455991215 /nfs/dbraw/zinc/99/12/15/455991215.db2.gz NMXDGTLHRXJTPJ-ZFWWWQNUSA-N 0 0 334.435 3.293 20 10 EGCDRN CC[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)cc1[O-] ZINC000286188983 455996190 /nfs/dbraw/zinc/99/61/90/455996190.db2.gz QTEJPAVEPQZMOI-CHWSQXEVSA-N 0 0 348.340 3.125 20 10 EGCDRN Cc1ccc(NCc2cc3c(cc2O)OCO3)cc1NC(=O)N(C)C ZINC000280570274 456001412 /nfs/dbraw/zinc/00/14/12/456001412.db2.gz RDQYDQBZXNAUNL-UHFFFAOYSA-N 0 0 343.383 3.135 20 10 EGCDRN CC[C@@H](CO)NC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000280603521 456010821 /nfs/dbraw/zinc/01/08/21/456010821.db2.gz COVLPFOAYRNYHG-ZDUSSCGKSA-N 0 0 348.830 3.158 20 10 EGCDRN O=C(/C=C\c1cnn(-c2ccccc2)c1)N1CCCc2ncccc21 ZINC000210546872 456020819 /nfs/dbraw/zinc/02/08/19/456020819.db2.gz DHDJIZGHLGSSLG-KHPPLWFESA-N 0 0 330.391 3.260 20 10 EGCDRN O=[N+]([O-])c1cccc(F)c1NCc1ccc(N2CCOCC2)cc1 ZINC000286480438 456048184 /nfs/dbraw/zinc/04/81/84/456048184.db2.gz UPDNHAQDLKMBQG-UHFFFAOYSA-N 0 0 331.347 3.183 20 10 EGCDRN CC[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(F)cc1[O-] ZINC000286937040 456056687 /nfs/dbraw/zinc/05/66/87/456056687.db2.gz AZAJBJTUIIESGN-MRXNPFEDSA-N 0 0 330.407 3.031 20 10 EGCDRN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cccc(Cl)c1[O-] ZINC000287210161 456063768 /nfs/dbraw/zinc/06/37/68/456063768.db2.gz WXZQILPISVHMGI-AWEZNQCLSA-N 0 0 345.892 3.444 20 10 EGCDRN O=C(NCc1ccccc1O)Nc1nc(C2CCOCC2)cs1 ZINC000287266327 456066056 /nfs/dbraw/zinc/06/60/56/456066056.db2.gz DKCQAJRNPOGSAC-UHFFFAOYSA-N 0 0 333.413 3.064 20 10 EGCDRN CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000287730529 456076437 /nfs/dbraw/zinc/07/64/37/456076437.db2.gz YJUKRRCZTXOUCZ-KPZWWZAWSA-N 0 0 330.384 3.247 20 10 EGCDRN CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287764483 456077625 /nfs/dbraw/zinc/07/76/25/456077625.db2.gz RDLGGPKIHKRNOP-ZIAGYGMSSA-N 0 0 344.242 3.207 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccco1 ZINC000188575396 456087870 /nfs/dbraw/zinc/08/78/70/456087870.db2.gz XZFMHXVUQJFBLL-UHFFFAOYSA-N 0 0 334.441 3.091 20 10 EGCDRN COc1cc(O)c(CNc2ccc(C(=O)NC(C)C)cc2)cc1OC ZINC000272847022 456089626 /nfs/dbraw/zinc/08/96/26/456089626.db2.gz SAULGGHIZPGKAG-UHFFFAOYSA-N 0 0 344.411 3.160 20 10 EGCDRN COc1cccc(CNC(=O)Nc2cc(OC)c(C)c(OC)c2)c1O ZINC000297011736 456091236 /nfs/dbraw/zinc/09/12/36/456091236.db2.gz JGCOEAFIAHQVEB-UHFFFAOYSA-N 0 0 346.383 3.048 20 10 EGCDRN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000288532542 456098067 /nfs/dbraw/zinc/09/80/67/456098067.db2.gz ZWWMCDQNBKGZTJ-IFXJQAMLSA-N 0 0 339.439 3.416 20 10 EGCDRN Cc1cc(C(=O)N[C@H]2C[C@H](C)OC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000288556964 456099101 /nfs/dbraw/zinc/09/91/01/456099101.db2.gz JETZPVNJDRCHFL-ZBEGNZNMSA-N 0 0 346.814 3.181 20 10 EGCDRN COc1ccc(N2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000301437526 456115064 /nfs/dbraw/zinc/11/50/64/456115064.db2.gz KNLIIODLURXHSB-UHFFFAOYSA-N 0 0 327.384 3.238 20 10 EGCDRN COc1ccc(N2CCCN(c3nc(C4CC4)ns3)CC2)cc1 ZINC000301528159 456137984 /nfs/dbraw/zinc/13/79/84/456137984.db2.gz QPTINWBDQVMFNX-UHFFFAOYSA-N 0 0 330.457 3.141 20 10 EGCDRN Cn1nc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1C1CC1 ZINC000289879102 456165385 /nfs/dbraw/zinc/16/53/85/456165385.db2.gz RAPSICIEZNXYMQ-UHFFFAOYSA-N 0 0 340.427 3.204 20 10 EGCDRN COc1ncc(Cl)c(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301690523 456188721 /nfs/dbraw/zinc/18/87/21/456188721.db2.gz KDVYYVYKQFESHA-LBPRGKRZSA-N 0 0 348.834 3.148 20 10 EGCDRN C[C@H]1C[C@H](CCNC(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000273166803 456198342 /nfs/dbraw/zinc/19/83/42/456198342.db2.gz OGLWNPZNDNWAAJ-DLBZAZTESA-N 0 0 345.487 3.291 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000273359708 456226071 /nfs/dbraw/zinc/22/60/71/456226071.db2.gz DMWKREFUOOLULE-DXCKQFNASA-N 0 0 335.444 3.423 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273423039 456230259 /nfs/dbraw/zinc/23/02/59/456230259.db2.gz SNCMAGAGOWMYAR-CJNGLKHVSA-N 0 0 345.399 3.381 20 10 EGCDRN C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000273521513 456235753 /nfs/dbraw/zinc/23/57/53/456235753.db2.gz JSVVFOLNSHAPQS-SJORKVTESA-N 0 0 343.471 3.067 20 10 EGCDRN C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273529583 456236046 /nfs/dbraw/zinc/23/60/46/456236046.db2.gz VZFAPFZYXRBGCB-UGSOOPFHSA-N 0 0 342.395 3.465 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000273511612 456236165 /nfs/dbraw/zinc/23/61/65/456236165.db2.gz RUKPRBLIGIEBBR-NUEKZKHPSA-N 0 0 335.444 3.423 20 10 EGCDRN CCCc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)co1 ZINC000273533959 456236663 /nfs/dbraw/zinc/23/66/63/456236663.db2.gz ROUMSEDXXGAMKT-OAHLLOKOSA-N 0 0 344.411 3.154 20 10 EGCDRN COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273512977 456236718 /nfs/dbraw/zinc/23/67/18/456236718.db2.gz RZLZEYXFNXAKQD-SJKOYZFVSA-N 0 0 346.383 3.083 20 10 EGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(OC)cc2OC)c1 ZINC000273519065 456236746 /nfs/dbraw/zinc/23/67/46/456236746.db2.gz SZGRTXIZFPKSRG-NSHDSACASA-N 0 0 331.368 3.369 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)c1 ZINC000273554477 456237756 /nfs/dbraw/zinc/23/77/56/456237756.db2.gz GOTRVHMDZKQMSV-VNBZBWLYSA-N 0 0 347.386 3.091 20 10 EGCDRN CCc1noc(CC)c1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273591904 456239346 /nfs/dbraw/zinc/23/93/46/456239346.db2.gz PLHPILFRDMLXES-LLVKDONJSA-N 0 0 332.400 3.142 20 10 EGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000274125513 456251509 /nfs/dbraw/zinc/25/15/09/456251509.db2.gz BSQISDREFPOPNU-INIZCTEOSA-N 0 0 345.487 3.101 20 10 EGCDRN Cc1cc(C(=O)NOC[C@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000189231054 456261302 /nfs/dbraw/zinc/26/13/02/456261302.db2.gz XJTAOUGLJYEOTI-INIZCTEOSA-N 0 0 328.412 3.100 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000274813386 456265892 /nfs/dbraw/zinc/26/58/92/456265892.db2.gz YMOALXTVDJBTLM-ZDUSSCGKSA-N 0 0 343.423 3.257 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(C3CC3)n(C)n2)cc1 ZINC000290297678 456282253 /nfs/dbraw/zinc/28/22/53/456282253.db2.gz DUMDXICQUUXOGO-UHFFFAOYSA-N 0 0 341.459 3.465 20 10 EGCDRN CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000290392849 456314322 /nfs/dbraw/zinc/31/43/22/456314322.db2.gz SIHDQMJVOCQVOX-SECBINFHSA-N 0 0 340.272 3.173 20 10 EGCDRN COc1ccc(O)c(CN2CCn3c(C4CCCC4)nnc3[C@@H]2C)c1 ZINC000290445657 456330069 /nfs/dbraw/zinc/33/00/69/456330069.db2.gz MAIBCLCFHWRGFU-ZDUSSCGKSA-N 0 0 342.443 3.227 20 10 EGCDRN COc1cc(N(C)CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000302466797 456346184 /nfs/dbraw/zinc/34/61/84/456346184.db2.gz VKHIRWSJOYUZRW-UHFFFAOYSA-N 0 0 338.404 3.134 20 10 EGCDRN Cc1cccc(N(C)Cc2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000302505629 456350603 /nfs/dbraw/zinc/35/06/03/456350603.db2.gz QHIYCNGXRLSOOX-UHFFFAOYSA-N 0 0 341.411 3.376 20 10 EGCDRN Cc1nc(N(C)Cc2ccc(N3CCCCC3)cc2)cc2nncn21 ZINC000298186696 456383945 /nfs/dbraw/zinc/38/39/45/456383945.db2.gz HDJZNARIKFYPKQ-UHFFFAOYSA-N 0 0 336.443 3.059 20 10 EGCDRN O=C(c1cc(C2CC2)no1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000282046273 456399636 /nfs/dbraw/zinc/39/96/36/456399636.db2.gz 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456558670 /nfs/dbraw/zinc/55/86/70/456558670.db2.gz XSLYOLWXHCXBKN-UHFFFAOYSA-N 0 0 345.487 3.051 20 10 EGCDRN Oc1ccccc1CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000276797874 456582991 /nfs/dbraw/zinc/58/29/91/456582991.db2.gz GCFGMVRWRAXSQR-INIZCTEOSA-N 0 0 343.427 3.396 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1nc2ccccn2n1 ZINC000282682915 456591179 /nfs/dbraw/zinc/59/11/79/456591179.db2.gz QJGDOLFEMFLQGT-UHFFFAOYSA-N 0 0 339.399 3.269 20 10 EGCDRN NC(=O)c1ccc(NCc2cc(F)ccc2O)cc1N1CCCCC1 ZINC000282842968 456641792 /nfs/dbraw/zinc/64/17/92/456641792.db2.gz CTYKAJSKXSPCIK-UHFFFAOYSA-N 0 0 343.402 3.233 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000282880057 456654404 /nfs/dbraw/zinc/65/44/04/456654404.db2.gz CNUTZMFCERGYMN-UHFFFAOYSA-N 0 0 341.411 3.325 20 10 EGCDRN CCN(CC)c1ccc(C[NH2+][C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000277111410 456685235 /nfs/dbraw/zinc/68/52/35/456685235.db2.gz AIXWAHLGHIALTM-LJQANCHMSA-N 0 0 342.439 3.024 20 10 EGCDRN 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457504556 /nfs/dbraw/zinc/50/45/56/457504556.db2.gz UYWPHTTWRWWSCB-GLQYFDAESA-N 0 0 340.807 3.247 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](c3nccn3C)C2)cc1 ZINC000374326305 457587323 /nfs/dbraw/zinc/58/73/23/457587323.db2.gz FNVQLPPTMNISNZ-SFHVURJKSA-N 0 0 348.450 3.457 20 10 EGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000370404584 457640182 /nfs/dbraw/zinc/64/01/82/457640182.db2.gz GAVFTDSGDYIZRO-QGZVFWFLSA-N 0 0 331.391 3.113 20 10 EGCDRN CCSc1cccnc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000410533436 457646239 /nfs/dbraw/zinc/64/62/39/457646239.db2.gz JJVIPMHYCFEEJU-UHFFFAOYSA-N 0 0 343.452 3.299 20 10 EGCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)OCC1CC1 ZINC000364807701 457697466 /nfs/dbraw/zinc/69/74/66/457697466.db2.gz LIKMHXAITBACJM-UHFFFAOYSA-N 0 0 340.370 3.393 20 10 EGCDRN COc1ccc(O)c(CN2CCCC[C@H]2c2noc(C3CC3)n2)c1 ZINC000371419722 457922397 /nfs/dbraw/zinc/92/23/97/457922397.db2.gz WHCHTDWHBJZTCB-HNNXBMFYSA-N 0 0 329.400 3.388 20 10 EGCDRN 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334.229 3.351 20 10 EGCDRN C[C@@H]([NH2+]Cc1nccn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756539893 1300517910 /nfs/dbraw/zinc/51/79/10/1300517910.db2.gz VKHYSEPCISRWIQ-MRVPVSSYSA-N 0 0 344.640 3.392 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000756550573 1300520714 /nfs/dbraw/zinc/52/07/14/1300520714.db2.gz IYUFSQGAZLEDAX-DZGCQCFKSA-N 0 0 341.407 3.396 20 10 EGCDRN CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756573433 1300524644 /nfs/dbraw/zinc/52/46/44/1300524644.db2.gz AZWAMWLTNZAMIM-XPTSAGLGSA-N 0 0 334.229 3.496 20 10 EGCDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756576951 1300525957 /nfs/dbraw/zinc/52/59/57/1300525957.db2.gz WNHNQBKBZVJIMJ-UINNMSKDSA-N 0 0 334.229 3.351 20 10 EGCDRN C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cc(Br)c(F)cc1[O-] ZINC000756605523 1300530258 /nfs/dbraw/zinc/53/02/58/1300530258.db2.gz JAPAEDWWCLQNHL-GARJFASQSA-N 0 0 346.240 3.496 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(F)c2)c1 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CC[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903229310 1317675939 /nfs/dbraw/zinc/67/59/39/1317675939.db2.gz XWAWYMOJXSUESK-CQSZACIVSA-N 0 0 347.286 3.462 20 10 EGCDRN CCCCN(C)C[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000808454836 1317680602 /nfs/dbraw/zinc/68/06/02/1317680602.db2.gz PXSLUVGSBMXHJY-LBPRGKRZSA-N 0 0 329.282 3.365 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000903334469 1317688534 /nfs/dbraw/zinc/68/85/34/1317688534.db2.gz AFVSRPSBTVTKRM-XIKOKIGWSA-N 0 0 326.396 3.376 20 10 EGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)c1ccc(F)cc1[O-] ZINC000808723988 1317722997 /nfs/dbraw/zinc/72/29/97/1317722997.db2.gz RLXYZZHKINHUKP-XFKAJCMBSA-N 0 0 334.435 3.219 20 10 EGCDRN C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(Br)c1[O-] ZINC000809703356 1317869492 /nfs/dbraw/zinc/86/94/92/1317869492.db2.gz JJNGGTZFGUETAX-JSGCOSHPSA-N 0 0 339.277 3.213 20 10 EGCDRN CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000809709366 1317870577 /nfs/dbraw/zinc/87/05/77/1317870577.db2.gz QODYZBPMVCZDKX-ZDUSSCGKSA-N 0 0 326.824 3.098 20 10 EGCDRN C[C@@H](O)c1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000809775556 1317897670 /nfs/dbraw/zinc/89/76/70/1317897670.db2.gz DNQKHIDLPSSERS-SSDOTTSWSA-N 0 0 333.240 3.499 20 10 EGCDRN CN(C)C(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000809776043 1317897727 /nfs/dbraw/zinc/89/77/27/1317897727.db2.gz RCGQBNOEDNMEGV-UHFFFAOYSA-N 0 0 342.226 3.019 20 10 EGCDRN CN(C)c1ccc(CN2CCOCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000809788808 1317901543 /nfs/dbraw/zinc/90/15/43/1317901543.db2.gz WGTPBZHDYRCNHG-UHFFFAOYSA-N 0 0 338.320 3.239 20 10 EGCDRN CC[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cccc(Cl)c1[O-] ZINC000810243165 1317985562 /nfs/dbraw/zinc/98/55/62/1317985562.db2.gz XFBGSZAOVMWVTA-INIZCTEOSA-N 0 0 332.831 3.314 20 10 EGCDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(OC)c1O ZINC000810318627 1317999535 /nfs/dbraw/zinc/99/95/35/1317999535.db2.gz HDSUPTXUZPZXEN-UHFFFAOYSA-N 0 0 345.355 3.193 20 10 EGCDRN CCCCn1cc(CNC(=O)NCc2cc(C)ccc2O)c(C)n1 ZINC000858344072 1328741248 /nfs/dbraw/zinc/74/12/48/1328741248.db2.gz JKBRKZYCWXZVAA-UHFFFAOYSA-N 0 0 330.432 3.005 20 10 EGCDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858348672 1328742432 /nfs/dbraw/zinc/74/24/32/1328742432.db2.gz RETOQAWABDTDNF-SCLBCKFNSA-N 0 0 346.402 3.415 20 10 EGCDRN C[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)c1ccc(N(C)C)cc1 ZINC000811186220 1318120533 /nfs/dbraw/zinc/12/05/33/1318120533.db2.gz HIDPMCKYAJGVPQ-CYBMUJFWSA-N 0 0 335.411 3.029 20 10 EGCDRN CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1 ZINC000811511879 1318190419 /nfs/dbraw/zinc/19/04/19/1318190419.db2.gz WWIICHQOPBNCQW-INIZCTEOSA-N 0 0 348.443 3.034 20 10 EGCDRN CCOc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c(O)c1 ZINC000811511187 1318190888 /nfs/dbraw/zinc/19/08/88/1318190888.db2.gz DZQAKPJCLRLWMA-INIZCTEOSA-N 0 0 348.443 3.034 20 10 EGCDRN Cc1ccc2c(c1)/C(=C/c1ccc(N3CCOCC3)cc1)C(=O)N2C ZINC000811699947 1318230706 /nfs/dbraw/zinc/23/07/06/1318230706.db2.gz BBJVIHWITUPNNY-RGEXLXHISA-N 0 0 334.419 3.349 20 10 EGCDRN Cc1cc(C)c(C(=O)NCc2cccc(Br)c2O)c(C)n1 ZINC000907757789 1318255656 /nfs/dbraw/zinc/25/56/56/1318255656.db2.gz KJPAVOBBVFCGEG-UHFFFAOYSA-N 0 0 349.228 3.405 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCCCC(=O)C1 ZINC000813409449 1318557993 /nfs/dbraw/zinc/55/79/93/1318557993.db2.gz JYNGVQSCWQETIN-QGZVFWFLSA-N 0 0 328.456 3.443 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)c3cccc(CO)c3)cc2)CC1 ZINC000813447180 1318565524 /nfs/dbraw/zinc/56/55/24/1318565524.db2.gz IHLPXVNSTCMUFL-UHFFFAOYSA-N 0 0 338.451 3.345 20 10 EGCDRN O=C(NCCCSc1nccs1)[C@@H](O)c1ccc(Cl)cc1 ZINC000813451394 1318567191 /nfs/dbraw/zinc/56/71/91/1318567191.db2.gz LJIXKINMCPUXFC-LBPRGKRZSA-N 0 0 342.873 3.129 20 10 EGCDRN CCc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)c2ccccc2n1 ZINC000813513880 1318583506 /nfs/dbraw/zinc/58/35/06/1318583506.db2.gz LXEHPYPWGROLHW-CSKARUKUSA-N 0 0 334.375 3.282 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000813693522 1318620568 /nfs/dbraw/zinc/62/05/68/1318620568.db2.gz UCDGPQIFJKOLBP-SDHLOXDLSA-N 0 0 347.798 3.004 20 10 EGCDRN COc1ccc(CNC(=O)NC[C@H]2CCCCC(F)(F)C2)c(O)c1 ZINC000813762085 1318627503 /nfs/dbraw/zinc/62/75/03/1318627503.db2.gz XTHVLDUTZSTEKL-LBPRGKRZSA-N 0 0 342.386 3.416 20 10 EGCDRN CN(C)c1ccc(CN(C)[C@@H]2CC(C)(C)OC2=O)c(C(F)(F)F)c1 ZINC000814179634 1318691230 /nfs/dbraw/zinc/69/12/30/1318691230.db2.gz WTBYFXDAVGSZPR-CQSZACIVSA-N 0 0 344.377 3.297 20 10 EGCDRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(O)cc1O ZINC000910957864 1318699241 /nfs/dbraw/zinc/69/92/41/1318699241.db2.gz OKJFIGUOORLTKJ-CYBMUJFWSA-N 0 0 343.423 3.479 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC2CCC1CC2 ZINC000814259578 1318712535 /nfs/dbraw/zinc/71/25/35/1318712535.db2.gz SFYOOJSFGIKBMJ-OUNSHVDWSA-N 0 0 342.483 3.308 20 10 EGCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2sc(C)cc2C)c1 ZINC000814271191 1318715034 /nfs/dbraw/zinc/71/50/34/1318715034.db2.gz GRXWRPRQXQGNOH-NSHDSACASA-N 0 0 341.454 3.119 20 10 EGCDRN CN(c1ccccc1)c1cc(NCCc2ccc(O)c(O)c2)ncn1 ZINC000814364251 1318730925 /nfs/dbraw/zinc/73/09/25/1318730925.db2.gz XQCJQERSRGRCIC-UHFFFAOYSA-N 0 0 336.395 3.310 20 10 EGCDRN CO[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000814407341 1318736122 /nfs/dbraw/zinc/73/61/22/1318736122.db2.gz DQVCEBXTDNEDRR-IEBWSBKVSA-N 0 0 330.472 3.498 20 10 EGCDRN COc1ccc(O)c(CNc2nc3ccc(OC)cc3nc2C)c1 ZINC000814850135 1318831770 /nfs/dbraw/zinc/83/17/70/1318831770.db2.gz ZLACSGZOLRHBLK-UHFFFAOYSA-N 0 0 325.368 3.273 20 10 EGCDRN CCN(C)c1ccc(CN2CCn3c(Br)cnc3C2)cc1 ZINC000815102686 1318890822 /nfs/dbraw/zinc/89/08/22/1318890822.db2.gz JUXCLPBVTHBBOD-UHFFFAOYSA-N 0 0 349.276 3.118 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815618204 1319028453 /nfs/dbraw/zinc/02/84/53/1319028453.db2.gz GSYAZWCVDKZOFL-WDEREUQCSA-N 0 0 325.334 3.273 20 10 EGCDRN O=C(c1ncccc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000815859713 1319064370 /nfs/dbraw/zinc/06/43/70/1319064370.db2.gz KLLPFLXGDOMIEE-AWEZNQCLSA-N 0 0 346.814 3.262 20 10 EGCDRN O=C(c1ncccc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000815859714 1319064406 /nfs/dbraw/zinc/06/44/06/1319064406.db2.gz KLLPFLXGDOMIEE-CQSZACIVSA-N 0 0 346.814 3.262 20 10 EGCDRN Cc1ccc2nc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)ccc2c1 ZINC000816028615 1319089666 /nfs/dbraw/zinc/08/96/66/1319089666.db2.gz KHETUJBXPCRJOV-ZDUSSCGKSA-N 0 0 336.391 3.315 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000816028833 1319090021 /nfs/dbraw/zinc/09/00/21/1319090021.db2.gz OYEHXEAZPZPFET-UWTIGNOOSA-N 0 0 343.398 3.478 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1nncc2ccccc21 ZINC000930206448 1328811483 /nfs/dbraw/zinc/81/14/83/1328811483.db2.gz XIJCDHNRDZBLPC-UHFFFAOYSA-N 0 0 332.407 3.160 20 10 EGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000816557291 1319181797 /nfs/dbraw/zinc/18/17/97/1319181797.db2.gz KUMUHECJKAFKQZ-LBPRGKRZSA-N 0 0 329.799 3.003 20 10 EGCDRN COc1ccc(N(C)Cc2ccc3c(c2)NC(=O)CO3)cc1Cl ZINC000816566311 1319184028 /nfs/dbraw/zinc/18/40/28/1319184028.db2.gz RBEHCFZXHGONGN-UHFFFAOYSA-N 0 0 332.787 3.316 20 10 EGCDRN CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816566184 1319184350 /nfs/dbraw/zinc/18/43/50/1319184350.db2.gz NOOHNXVZSHLADI-AWEZNQCLSA-N 0 0 348.805 3.252 20 10 EGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])NC(=O)OC(C)(C)C ZINC000816594462 1319190268 /nfs/dbraw/zinc/19/02/68/1319190268.db2.gz FBHSUTVBMFPWGA-VIFPVBQESA-N 0 0 332.803 3.188 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000816889040 1319239355 /nfs/dbraw/zinc/23/93/55/1319239355.db2.gz KKBPTWKJZGEWLE-QGZVFWFLSA-N 0 0 335.407 3.296 20 10 EGCDRN COc1ccc(CNC(=O)Nc2nc3c(s2)CCC3(C)C)c(O)c1 ZINC000817318778 1319325623 /nfs/dbraw/zinc/32/56/23/1319325623.db2.gz BKCGTKNVIJOZCV-UHFFFAOYSA-N 0 0 347.440 3.403 20 10 EGCDRN COc1ccc(CNC(=O)C2(c3c(F)cccc3F)CCC2)c(O)c1 ZINC000817599891 1319411544 /nfs/dbraw/zinc/41/15/44/1319411544.db2.gz MCUXAXQTNHBZAR-UHFFFAOYSA-N 0 0 347.361 3.417 20 10 EGCDRN O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)N1CCCCC1 ZINC000915217193 1319445942 /nfs/dbraw/zinc/44/59/42/1319445942.db2.gz NLIYWZWHSHTBNC-UHFFFAOYSA-N 0 0 342.361 3.350 20 10 EGCDRN CC1(C)[C@H](c2ccccc2)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000817988217 1319486926 /nfs/dbraw/zinc/48/69/26/1319486926.db2.gz LBNMNFKCOMYTNY-KRWDZBQOSA-N 0 0 337.423 3.002 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccccc3F)C2)cc1 ZINC000818090366 1319499183 /nfs/dbraw/zinc/49/91/83/1319499183.db2.gz COOOZGQGJOINBX-AWEZNQCLSA-N 0 0 343.402 3.482 20 10 EGCDRN Cc1cc(C(=O)Cn2nnc(-c3ccco3)n2)c(C)n1-c1ccccc1 ZINC000915669843 1319517073 /nfs/dbraw/zinc/51/70/73/1319517073.db2.gz VPVLOBPRKWGJCF-UHFFFAOYSA-N 0 0 347.378 3.224 20 10 EGCDRN C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000818351337 1319533458 /nfs/dbraw/zinc/53/34/58/1319533458.db2.gz QYLATRRERYETES-VIFPVBQESA-N 0 0 340.272 3.174 20 10 EGCDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1ccc(N)cc1 ZINC000818545294 1319557190 /nfs/dbraw/zinc/55/71/90/1319557190.db2.gz WFPQDMFHXVWTBG-UHFFFAOYSA-N 0 0 327.384 3.075 20 10 EGCDRN C[C@H]1C[C@H]1c1ccc(CN2C(=O)CN(Cc3ccccc3O)C2=O)o1 ZINC000819165108 1319653946 /nfs/dbraw/zinc/65/39/46/1319653946.db2.gz OSVNMAURVFAZQJ-SWLSCSKDSA-N 0 0 340.379 3.073 20 10 EGCDRN CCS[C@H]1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819170655 1319656962 /nfs/dbraw/zinc/65/69/62/1319656962.db2.gz LGIRKUUUGJGOSL-CABCVRRESA-N 0 0 348.468 3.221 20 10 EGCDRN Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000916589932 1319680558 /nfs/dbraw/zinc/68/05/58/1319680558.db2.gz JTZABFVTAVZNBT-UHFFFAOYSA-N 0 0 346.404 3.233 20 10 EGCDRN C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000819301447 1319693534 /nfs/dbraw/zinc/69/35/34/1319693534.db2.gz JDPYYWLOTWSYFA-OXQOHEQNSA-N 0 0 344.499 3.338 20 10 EGCDRN O[C@@H](CNc1ccc(Nc2ccccc2)cc1)COC1CCOCC1 ZINC000819395688 1319717574 /nfs/dbraw/zinc/71/75/74/1319717574.db2.gz QRODLPYXKWPXNG-IBGZPJMESA-N 0 0 342.439 3.399 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3cccc(F)c3)C2)cc1 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333.819 3.181 20 10 EGCDRN C[C@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)n1ccnc1 ZINC000845460111 1321709354 /nfs/dbraw/zinc/70/93/54/1321709354.db2.gz TYMPMBPUSURIBV-QGZVFWFLSA-N 0 0 340.471 3.387 20 10 EGCDRN COc1ccc(N(C)CCN(C)c2nnc(C(F)(F)F)s2)cc1 ZINC000845672781 1321732583 /nfs/dbraw/zinc/73/25/83/1321732583.db2.gz NOLXTVGSYNZLMR-UHFFFAOYSA-N 0 0 346.378 3.138 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000845792665 1321744087 /nfs/dbraw/zinc/74/40/87/1321744087.db2.gz ZVWVNKFSENJVAR-STQMWFEESA-N 0 0 331.334 3.098 20 10 EGCDRN COc1ccc(N(C)Cc2cc(OC)c(OC)cc2F)cc1OC ZINC000845954615 1321758806 /nfs/dbraw/zinc/75/88/06/1321758806.db2.gz QTPRDSUEYMKHMV-UHFFFAOYSA-N 0 0 335.375 3.497 20 10 EGCDRN COc1cccc([C@@H](C)Nc2cnn(C3CCOCC3)c2C)c1O ZINC000846171431 1321773620 /nfs/dbraw/zinc/77/36/20/1321773620.db2.gz SOLILGZKQZMYOR-GFCCVEGCSA-N 0 0 331.416 3.430 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000846206649 1321776143 /nfs/dbraw/zinc/77/61/43/1321776143.db2.gz RPTLIQNMCVQZPZ-ZJUUUORDSA-N 0 0 343.254 3.361 20 10 EGCDRN CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1=O ZINC000846207458 1321776331 /nfs/dbraw/zinc/77/63/31/1321776331.db2.gz AUGAPTIYLYSUSG-UWVGGRQHSA-N 0 0 331.243 3.218 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc3[nH]ccc32)cc1 ZINC000846447085 1321786997 /nfs/dbraw/zinc/78/69/97/1321786997.db2.gz QKUNXQLPFMBKPJ-UHFFFAOYSA-N 0 0 337.423 3.385 20 10 EGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCN1c1ccccc1 ZINC000846472963 1321787818 /nfs/dbraw/zinc/78/78/18/1321787818.db2.gz HEGUROTWOUBPGM-INIZCTEOSA-N 0 0 330.815 3.331 20 10 EGCDRN COc1ccc2c(c1)OC[C@@H]2CC(=O)NCc1cc(Cl)ccc1O ZINC000846472614 1321787852 /nfs/dbraw/zinc/78/78/52/1321787852.db2.gz BTFVSVIWCJNEKA-LBPRGKRZSA-N 0 0 347.798 3.237 20 10 EGCDRN Cc1ccc(C(=O)N2CCCC[C@H]2CC(=O)OC(C)(C)C)c(O)c1O ZINC000846511755 1321789317 /nfs/dbraw/zinc/78/93/17/1321789317.db2.gz UGNGSTLXZGWXMW-ZDUSSCGKSA-N 0 0 349.427 3.133 20 10 EGCDRN 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ZINC000178119878 454936813 /nfs/dbraw/zinc/93/68/13/454936813.db2.gz LGQVEPBIJYNBIX-UHFFFAOYSA-N 0 0 342.395 3.251 20 10 EGCDRN COc1ccc(N(Cc2cccs2)Cc2nnc(C)n2C)cc1 ZINC000170723760 454963682 /nfs/dbraw/zinc/96/36/82/454963682.db2.gz GSCMXGGJWUPHBN-UHFFFAOYSA-N 0 0 328.441 3.400 20 10 EGCDRN CC(=O)c1cc(F)cc(CN2CCC([NH+]3CCCCC3)CC2)c1O ZINC000267073626 455497536 /nfs/dbraw/zinc/49/75/36/455497536.db2.gz PFIQBODSXBWHHH-UHFFFAOYSA-N 0 0 334.435 3.184 20 10 EGCDRN Cc1ccc2ncc(/C=C3/SC(N4CCCCC4)=NC3=O)n2c1 ZINC000151390488 454978879 /nfs/dbraw/zinc/97/88/79/454978879.db2.gz VDFZDVFVGNQDPI-NTEUORMPSA-N 0 0 326.425 3.099 20 10 EGCDRN Cc1cc(C)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000175812491 455499542 /nfs/dbraw/zinc/49/95/42/455499542.db2.gz HOPSAVKHLKEFQY-UHFFFAOYSA-N 0 0 328.412 3.005 20 10 EGCDRN O[C@H](COc1ccc(N2CCCC2)cc1)COc1ccccc1F ZINC000179117972 455009991 /nfs/dbraw/zinc/00/99/91/455009991.db2.gz TUBFLBYLUQRHBG-MRXNPFEDSA-N 0 0 331.387 3.245 20 10 EGCDRN Cc1ncsc1C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179426708 455047255 /nfs/dbraw/zinc/04/72/55/455047255.db2.gz YDAFFRNZYUFIQD-UHFFFAOYSA-N 0 0 327.793 3.351 20 10 EGCDRN Cc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)c(O)c1O ZINC000179447301 455048716 /nfs/dbraw/zinc/04/87/16/455048716.db2.gz DHNPOQLIHOLOKP-GOSISDBHSA-N 0 0 348.402 3.453 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)CSC[C@@H]2CCCCO2)cc1 ZINC000171357118 455064333 /nfs/dbraw/zinc/06/43/33/455064333.db2.gz GHPUFAOUFAPTOD-KRWDZBQOSA-N 0 0 336.501 3.013 20 10 EGCDRN COCc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccc1F ZINC000171647884 455082321 /nfs/dbraw/zinc/08/23/21/455082321.db2.gz XGKYXZPSDFDORT-UHFFFAOYSA-N 0 0 345.418 3.038 20 10 EGCDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCCc1ccc(N)cc1 ZINC000152549427 455134865 /nfs/dbraw/zinc/13/48/65/455134865.db2.gz QESFYSABDKVEMX-UHFFFAOYSA-N 0 0 342.487 3.030 20 10 EGCDRN Cc1cc(C(=O)NC[C@H](O)CC(C)(C)C)c(C)n1-c1ccccn1 ZINC000172308899 455145017 /nfs/dbraw/zinc/14/50/17/455145017.db2.gz HDZWUMJWPQUWOL-OAHLLOKOSA-N 0 0 329.444 3.016 20 10 EGCDRN COc1cc(CN(C)C(=O)Cc2ccc(N)cc2)ccc1SC ZINC000237329141 455173579 /nfs/dbraw/zinc/17/35/79/455173579.db2.gz CCFKZMHDZHDEBJ-UHFFFAOYSA-N 0 0 330.453 3.200 20 10 EGCDRN COCCCOc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000172697197 455175048 /nfs/dbraw/zinc/17/50/48/455175048.db2.gz NVEUIUNTVVHGFF-UHFFFAOYSA-N 0 0 342.439 3.098 20 10 EGCDRN CCC(CC)n1nc(C(=O)NCc2cccc(OC)c2O)cc1C ZINC000180493143 455182400 /nfs/dbraw/zinc/18/24/00/455182400.db2.gz OMBPDQAKLICMAR-UHFFFAOYSA-N 0 0 331.416 3.197 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCCCO3)ccc21 ZINC000264019083 455184390 /nfs/dbraw/zinc/18/43/90/455184390.db2.gz QXTADSVSKPVJOW-QGZVFWFLSA-N 0 0 344.455 3.203 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cc(F)ccc1F ZINC000183458872 455294801 /nfs/dbraw/zinc/29/48/01/455294801.db2.gz RHNITRMSXGDJNA-NSHDSACASA-N 0 0 335.350 3.056 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1ccc(O)cc1 ZINC000265207465 455302353 /nfs/dbraw/zinc/30/23/53/455302353.db2.gz UZWSBEHTQAAJGL-UHFFFAOYSA-N 0 0 328.412 3.262 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181220364 455304064 /nfs/dbraw/zinc/30/40/64/455304064.db2.gz NTPIFBOUOMLGTK-UHFFFAOYSA-N 0 0 342.355 3.092 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000158518538 455309629 /nfs/dbraw/zinc/30/96/29/455309629.db2.gz LNTDLYQCOAJLDC-NWLOJRJCSA-N 0 0 339.391 3.148 20 10 EGCDRN CCC(CC)[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000181326473 455318269 /nfs/dbraw/zinc/31/82/69/455318269.db2.gz MTEFFVRBAWUULY-WHFNLZNOSA-N 0 0 333.428 3.211 20 10 EGCDRN CO[C@@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000181351430 455321441 /nfs/dbraw/zinc/32/14/41/455321441.db2.gz KZUFLKRUOAUGSY-ZDUSSCGKSA-N 0 0 346.393 3.459 20 10 EGCDRN Cc1cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c(C)n1-c1ccccc1C ZINC000159151697 455355839 /nfs/dbraw/zinc/35/58/39/455355839.db2.gz FTLXIIBCBBBTII-MYYSRTQBSA-N 0 0 346.496 3.242 20 10 EGCDRN Cc1cnc([C@H](C)CNC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000184478455 455387599 /nfs/dbraw/zinc/38/75/99/455387599.db2.gz ZCPOJQOBAMBXNJ-CYBMUJFWSA-N 0 0 346.500 3.463 20 10 EGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(Br)n1 ZINC000159734140 455399268 /nfs/dbraw/zinc/39/92/68/455399268.db2.gz VBEBZSKSHPMSHH-UHFFFAOYSA-N 0 0 348.244 3.149 20 10 EGCDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000245947529 455404917 /nfs/dbraw/zinc/40/49/17/455404917.db2.gz WDCGJONPACISRW-GOEBONIOSA-N 0 0 347.411 3.091 20 10 EGCDRN COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)c1 ZINC000266377889 455428015 /nfs/dbraw/zinc/42/80/15/455428015.db2.gz WLLKEZRWKCDFIO-UHFFFAOYSA-N 0 0 326.396 3.109 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000185063232 455493613 /nfs/dbraw/zinc/49/36/13/455493613.db2.gz WUUKRLMFWIKGKG-OAHLLOKOSA-N 0 0 344.430 3.214 20 10 EGCDRN CN(C)c1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000191679015 455509478 /nfs/dbraw/zinc/50/94/78/455509478.db2.gz NFXAJXRSOMCFKU-UHFFFAOYSA-N 0 0 329.419 3.330 20 10 EGCDRN C[C@H](O)[C@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])Cc1ccccc1 ZINC000191712858 455511875 /nfs/dbraw/zinc/51/18/75/455511875.db2.gz FGVRNAPZYNOTRC-LIRRHRJNSA-N 0 0 344.411 3.020 20 10 EGCDRN Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c(O)c1O ZINC000182477680 455521261 /nfs/dbraw/zinc/52/12/61/455521261.db2.gz IZUSDICTRYORSU-CQSZACIVSA-N 0 0 329.371 3.250 20 10 EGCDRN Oc1cccc(Cl)c1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000271334198 455602159 /nfs/dbraw/zinc/60/21/59/455602159.db2.gz NQDZJZGNJZLPMX-KXBFYZLASA-N 0 0 347.842 3.370 20 10 EGCDRN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000185788821 455621894 /nfs/dbraw/zinc/62/18/94/455621894.db2.gz HKNOEGYESSSZKD-UWVGGRQHSA-N 0 0 331.243 3.361 20 10 EGCDRN CC(C)[C@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000271447857 455640392 /nfs/dbraw/zinc/64/03/92/455640392.db2.gz DHZVJHFACXSEJU-HNAYVOBHSA-N 0 0 346.471 3.274 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000185888313 455643274 /nfs/dbraw/zinc/64/32/74/455643274.db2.gz HUXACQJJDVXPES-UHFFFAOYSA-N 0 0 347.798 3.435 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000271461798 455646323 /nfs/dbraw/zinc/64/63/23/455646323.db2.gz JVBXBUONSNIHAR-DOTOQJQBSA-N 0 0 333.476 3.147 20 10 EGCDRN CCc1nn(C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271535891 455675709 /nfs/dbraw/zinc/67/57/09/455675709.db2.gz GQYPHLOLXZEUQS-UHFFFAOYSA-N 0 0 341.459 3.245 20 10 EGCDRN CCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)n1 ZINC000186082156 455690529 /nfs/dbraw/zinc/69/05/29/455690529.db2.gz RPSFNXSPOUWJIK-UHFFFAOYSA-N 0 0 325.412 3.058 20 10 EGCDRN C[C@@H](NCc1nnc2n1CCC2)c1ccc(N2CCCCCC2)cc1 ZINC000268795961 455713654 /nfs/dbraw/zinc/71/36/54/455713654.db2.gz ZWARTVBIRIXQTN-MRXNPFEDSA-N 0 0 339.487 3.456 20 10 EGCDRN CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000186205870 455716296 /nfs/dbraw/zinc/71/62/96/455716296.db2.gz PSHXMMHHNFVPGX-JXFKEZNVSA-N 0 0 348.462 3.085 20 10 EGCDRN C[C@@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000192974469 455728866 /nfs/dbraw/zinc/72/88/66/455728866.db2.gz VOAKQTZZTKNCHN-CQSZACIVSA-N 0 0 327.428 3.180 20 10 EGCDRN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192993043 455731886 /nfs/dbraw/zinc/73/18/86/455731886.db2.gz CTLCXAYOCNLMBZ-IUCAKERBSA-N 0 0 340.272 3.173 20 10 EGCDRN Cc1cc(C(=O)NCc2cccnn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000278014203 455735028 /nfs/dbraw/zinc/73/50/28/455735028.db2.gz SFCFTPVNCYAZRV-UHFFFAOYSA-N 0 0 334.423 3.431 20 10 EGCDRN COc1c(C)cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000186443454 455769863 /nfs/dbraw/zinc/76/98/63/455769863.db2.gz ZRJXBUKUTZYVTA-ZDUSSCGKSA-N 0 0 329.396 3.084 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000293481587 455787989 /nfs/dbraw/zinc/78/79/89/455787989.db2.gz SWLUBNGPOXODOO-UHFFFAOYSA-N 0 0 339.317 3.139 20 10 EGCDRN CN1CCCc2cc(CN[C@@H](c3cccs3)c3nc[nH]n3)ccc21 ZINC000293611544 455792262 /nfs/dbraw/zinc/79/22/62/455792262.db2.gz GOYOTLRZEYJHEN-KRWDZBQOSA-N 0 0 339.468 3.128 20 10 EGCDRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCc1ccccc1O ZINC000269128570 455795079 /nfs/dbraw/zinc/79/50/79/455795079.db2.gz HPGPCJQOVRUEIT-UHFFFAOYSA-N 0 0 345.468 3.440 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCC(O)CC1 ZINC000194047202 455795392 /nfs/dbraw/zinc/79/53/92/455795392.db2.gz KJTOKPCLEHOBEQ-UHFFFAOYSA-N 0 0 330.472 3.186 20 10 EGCDRN COc1ccc(C(=O)CCCC(=O)NCc2ccccc2O)cc1 ZINC000269155612 455799778 /nfs/dbraw/zinc/79/97/78/455799778.db2.gz RKKSKUQUDGMMJK-UHFFFAOYSA-N 0 0 327.380 3.070 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]3CF)ccc21 ZINC000293925076 455801010 /nfs/dbraw/zinc/80/10/10/455801010.db2.gz BFHPDTKEDCTJJZ-MRXNPFEDSA-N 0 0 332.419 3.479 20 10 EGCDRN CC(C)(C)n1cc(C[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000278413440 455834982 /nfs/dbraw/zinc/83/49/82/455834982.db2.gz QKDWJHSCVOAMIT-UHFFFAOYSA-N 0 0 338.249 3.396 20 10 EGCDRN COc1c([O-])c(C[NH2+]CCCSCC(C)C)ccc1[N+](=O)[O-] ZINC000278537548 455838308 /nfs/dbraw/zinc/83/83/08/455838308.db2.gz WNYDHGLJGRIMNN-UHFFFAOYSA-N 0 0 328.434 3.178 20 10 EGCDRN CCCOc1ccc(CNCc2ncc(C(F)(F)F)cn2)c(O)c1 ZINC000295117517 455838893 /nfs/dbraw/zinc/83/88/93/455838893.db2.gz WXMJKYVIFQNVEM-UHFFFAOYSA-N 0 0 341.333 3.280 20 10 EGCDRN Cc1cc(C(=O)N[C@H]2CC[C@@H](CO)C2)c(C)n1-c1cccc(C)c1 ZINC000295391071 455847944 /nfs/dbraw/zinc/84/79/44/455847944.db2.gz GCZZVLJFMINMCG-SJORKVTESA-N 0 0 326.440 3.293 20 10 EGCDRN COC(=O)c1cnc(SCC(=O)N(C)[C@H]2CCCC[C@@H]2C)s1 ZINC000295391591 455848018 /nfs/dbraw/zinc/84/80/18/455848018.db2.gz VBSUQHKCQFMJOA-QWRGUYRKSA-N 0 0 342.486 3.059 20 10 EGCDRN COc1ccc(N2CCN(C(=O)Nc3cscc3C)CC2)cc1 ZINC000269601151 455850555 /nfs/dbraw/zinc/85/05/55/455850555.db2.gz KRVXJASPXOBFBQ-UHFFFAOYSA-N 0 0 331.441 3.419 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2CC(C)(C)OC2=O)c(C)n1-c1ccc(F)cc1 ZINC000269936182 455854791 /nfs/dbraw/zinc/85/47/91/455854791.db2.gz QMPPHQSSNJLSJK-MRXNPFEDSA-N 0 0 344.386 3.057 20 10 EGCDRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cccc(OC)c1O ZINC000279391022 455864379 /nfs/dbraw/zinc/86/43/79/455864379.db2.gz KGGQWAFFQVTHCW-IRXDYDNUSA-N 0 0 341.407 3.280 20 10 EGCDRN CCOC(=O)Cc1cnc(NCc2ccc(N(C)C)c(F)c2)s1 ZINC000296057378 455867486 /nfs/dbraw/zinc/86/74/86/455867486.db2.gz RMDABUXLOHCCPR-UHFFFAOYSA-N 0 0 337.420 3.066 20 10 EGCDRN CC[C@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000285964869 455951285 /nfs/dbraw/zinc/95/12/85/455951285.db2.gz GVOHXSJXORISDA-KRWDZBQOSA-N 0 0 346.402 3.011 20 10 EGCDRN CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000280381908 455959911 /nfs/dbraw/zinc/95/99/11/455959911.db2.gz WFBSHNVGDJFCKR-OAHLLOKOSA-N 0 0 328.796 3.345 20 10 EGCDRN CC[C@H]([NH2+]CCCNC(=O)c1occc1C)c1ccc(F)cc1[O-] ZINC000286026374 455962993 /nfs/dbraw/zinc/96/29/93/455962993.db2.gz IYPLEPKHBIQXAZ-HNNXBMFYSA-N 0 0 334.391 3.294 20 10 EGCDRN CN(c1ccc(CN2C(=O)[C@H]3CCCN3C2=O)cc1)C1CCCCC1 ZINC000272481532 455965971 /nfs/dbraw/zinc/96/59/71/455965971.db2.gz RQFXSSXHSNTHQZ-GOSISDBHSA-N 0 0 341.455 3.382 20 10 EGCDRN CC[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(F)cc1[O-] ZINC000286075855 455972598 /nfs/dbraw/zinc/97/25/98/455972598.db2.gz MCPSUUXWLFLYMJ-QGZVFWFLSA-N 0 0 346.402 3.098 20 10 EGCDRN COc1cccc(CNc2ccc(C)c(NC(=O)N(C)C)c2)c1O ZINC000280608339 456011946 /nfs/dbraw/zinc/01/19/46/456011946.db2.gz VHCBVBFLWNRDIS-UHFFFAOYSA-N 0 0 329.400 3.415 20 10 EGCDRN C[C@H]1NC(=O)N(Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1=O ZINC000286420154 456044226 /nfs/dbraw/zinc/04/42/26/456044226.db2.gz SFEKZNSGDIKHSJ-NWDGAFQWSA-N 0 0 335.835 3.017 20 10 EGCDRN COCC(C)(C)CCCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000286900077 456056924 /nfs/dbraw/zinc/05/69/24/456056924.db2.gz JMWBDGNQPDNZEW-UHFFFAOYSA-N 0 0 339.455 3.144 20 10 EGCDRN CC[C@H]([NH2+][C@H](C)[C@H](C)N1CCOCC1)c1cccc(Cl)c1[O-] ZINC000287611877 456074146 /nfs/dbraw/zinc/07/41/46/456074146.db2.gz JHGRUDZGWBDAQA-WWGRRREGSA-N 0 0 326.868 3.196 20 10 EGCDRN O=S1(=O)CCCN1c1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000296999228 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0 0 346.471 3.065 20 10 EGCDRN O=C([O-])[C@H](Cc1cc2ccccc2o1)[NH2+]Cc1cc(F)ccc1O ZINC001601657431 1126223028 /nfs/dbraw/zinc/22/30/28/1126223028.db2.gz LXGXTBITDZNNQA-HNNXBMFYSA-N 0 0 329.327 3.063 20 10 EGCDRN Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ccccc1 ZINC000003432384 210037402 /nfs/dbraw/zinc/03/74/02/210037402.db2.gz RLUARRHHWDZDFP-UHFFFAOYSA-N 0 0 326.425 3.198 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(Cn3cccn3)cc2)cc1 ZINC000010432935 211171301 /nfs/dbraw/zinc/17/13/01/211171301.db2.gz UTMSTYMDHIXMRO-UHFFFAOYSA-N 0 0 348.450 3.270 20 10 EGCDRN Nc1ccc(CC(=O)N2CCc3c(Br)cccc3C2)cc1 ZINC000154790677 224306194 /nfs/dbraw/zinc/30/61/94/224306194.db2.gz PWGSVGXNVBBVQK-UHFFFAOYSA-N 0 0 345.240 3.159 20 10 EGCDRN O=C(/C=C/c1cnccn1)N1CCCc2c(OC(F)F)cccc21 ZINC000493565821 311396352 /nfs/dbraw/zinc/39/63/52/311396352.db2.gz KUNAEGCKKPXHJF-VOTSOKGWSA-N 0 0 331.322 3.071 20 10 EGCDRN CCOc1cccc(CN[C@H](C(=O)OC)c2cc(C)cc(C)c2)c1O ZINC000189629030 455224649 /nfs/dbraw/zinc/22/46/49/455224649.db2.gz UOZYEENTZXZLMH-SFHVURJKSA-N 0 0 343.423 3.412 20 10 EGCDRN Nc1ccc(CC(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000237923085 455233782 /nfs/dbraw/zinc/23/37/82/455233782.db2.gz XHAIFYMRJFHCCA-RBUKOAKNSA-N 0 0 340.423 3.132 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(OC2CCCC2)CC1 ZINC000180730546 455235439 /nfs/dbraw/zinc/23/54/39/455235439.db2.gz OITXIDZJAJODLQ-SOFGYWHQSA-N 0 0 331.412 3.061 20 10 EGCDRN Nc1ccc(CCNC(=O)c2ccc(N3CCCCCC3)nc2)cc1 ZINC000237956944 455237920 /nfs/dbraw/zinc/23/79/20/455237920.db2.gz IWNCGKGUKXPZLT-UHFFFAOYSA-N 0 0 338.455 3.017 20 10 EGCDRN COc1ccc(N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1F ZINC000180773652 455242579 /nfs/dbraw/zinc/24/25/79/455242579.db2.gz KXDPCBFNJHQSFE-UHFFFAOYSA-N 0 0 335.375 3.497 20 10 EGCDRN COc1ccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173188408 455244387 /nfs/dbraw/zinc/24/43/87/455244387.db2.gz ZYUUOWOKZCCADF-UHFFFAOYSA-N 0 0 340.423 3.119 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CSc2ccccc21 ZINC000173194110 455245413 /nfs/dbraw/zinc/24/54/13/455245413.db2.gz DYPVBHBZYSZHFC-OAHLLOKOSA-N 0 0 340.448 3.368 20 10 EGCDRN Nc1ccc(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000238069963 455250666 /nfs/dbraw/zinc/25/06/66/455250666.db2.gz PLRKEOJQOOFDIB-UHFFFAOYSA-N 0 0 335.407 3.359 20 10 EGCDRN CCC(CC)c1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)on1 ZINC000180815007 455250101 /nfs/dbraw/zinc/25/01/01/455250101.db2.gz SVWNLUUYGFASRJ-SOFGYWHQSA-N 0 0 330.384 3.319 20 10 EGCDRN Cc1ccoc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158096192 455268626 /nfs/dbraw/zinc/26/86/26/455268626.db2.gz IJJBGLXUZHRVEA-OAHLLOKOSA-N 0 0 348.830 3.341 20 10 EGCDRN COc1ccccc1CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180952188 455269580 /nfs/dbraw/zinc/26/95/80/455269580.db2.gz ABBLMXDUUPIXRK-YRNVUSSQSA-N 0 0 339.391 3.311 20 10 EGCDRN Cc1n[nH]cc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000264730701 455271389 /nfs/dbraw/zinc/27/13/89/455271389.db2.gz DUTLHUJGAAPVSQ-UHFFFAOYSA-N 0 0 338.411 3.220 20 10 EGCDRN Cc1cncc(/C=C/C(=O)N(C)c2ncccc2Br)c1 ZINC000183427963 455291970 /nfs/dbraw/zinc/29/19/70/455291970.db2.gz COCKGIUGUSGRAS-AATRIKPKSA-N 0 0 332.201 3.224 20 10 EGCDRN COc1ccc(N2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000002637315 452711155 /nfs/dbraw/zinc/71/11/55/452711155.db2.gz CPJWIXOCIACAFI-UHFFFAOYSA-N 0 0 326.425 3.027 20 10 EGCDRN Cc1cc(C(=O)COC(=O)c2cnc(C)cn2)c(C)n1-c1ccccc1 ZINC000003509864 452776253 /nfs/dbraw/zinc/77/62/53/452776253.db2.gz GAXXLLLEPGGBLZ-UHFFFAOYSA-N 0 0 349.390 3.232 20 10 EGCDRN CC[C@H]1C[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 ZINC000183727854 455324395 /nfs/dbraw/zinc/32/43/95/455324395.db2.gz FQJUDIPCZPKYSC-SZMVWBNQSA-N 0 0 347.455 3.105 20 10 EGCDRN CN(C)c1ccc(-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1 ZINC000008042127 453153415 /nfs/dbraw/zinc/15/34/15/453153415.db2.gz GVSNFIBDXYQAKV-UHFFFAOYSA-N 0 0 339.420 3.348 20 10 EGCDRN CN(C)c1ccc(CNC(=O)CSc2ncccc2Cl)cc1 ZINC000011034033 453308524 /nfs/dbraw/zinc/30/85/24/453308524.db2.gz TWVGGDRBFMDDAM-UHFFFAOYSA-N 0 0 335.860 3.210 20 10 EGCDRN CN(CC(=O)NC1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000016386738 453604554 /nfs/dbraw/zinc/60/45/54/453604554.db2.gz FZDHMCWCVCRGGT-UHFFFAOYSA-N 0 0 329.488 3.168 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000020010257 453660452 /nfs/dbraw/zinc/66/04/52/453660452.db2.gz QYWJVZXVKNGJMV-CYBMUJFWSA-N 0 0 334.243 3.374 20 10 EGCDRN CC(C)c1noc(CCC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000028334826 453823229 /nfs/dbraw/zinc/82/32/29/453823229.db2.gz CLKPHRDQEVNHBM-UHFFFAOYSA-N 0 0 342.443 3.042 20 10 EGCDRN CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2nccs2)cc1 ZINC000052914180 453848882 /nfs/dbraw/zinc/84/88/82/453848882.db2.gz QMBWULQSMHQIFW-LLVKDONJSA-N 0 0 334.466 3.185 20 10 EGCDRN FC(F)Oc1ccc(-n2nnnc2CSc2nccs2)cc1 ZINC000052914753 453849677 /nfs/dbraw/zinc/84/96/77/453849677.db2.gz WTIPGFSUSKPXPO-UHFFFAOYSA-N 0 0 341.368 3.013 20 10 EGCDRN COCCOc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000052984409 453851373 /nfs/dbraw/zinc/85/13/73/453851373.db2.gz AMKYELDOFLVRQM-UHFFFAOYSA-N 0 0 342.439 3.050 20 10 EGCDRN COC(=O)CCCN1C(=O)/C(=C/c2cccc(C)c2C)SC1=S ZINC000066651231 453859348 /nfs/dbraw/zinc/85/93/48/453859348.db2.gz NUBBGZIJQBREJP-UVTDQMKNSA-N 0 0 349.477 3.458 20 10 EGCDRN CCN(CC)c1ccc(CNc2cnn(C)c(=O)c2Cl)cc1F ZINC000066859970 453882211 /nfs/dbraw/zinc/88/22/11/453882211.db2.gz ZZXUESKRHMEBRD-UHFFFAOYSA-N 0 0 338.814 3.031 20 10 EGCDRN c1cc2c(ncnc2NCc2ccc(N3CCOCC3)cc2)s1 ZINC000053583233 453889435 /nfs/dbraw/zinc/88/94/35/453889435.db2.gz QGFHRMCITMAIQR-UHFFFAOYSA-N 0 0 326.425 3.140 20 10 EGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(F)cc1F ZINC000053752687 453895189 /nfs/dbraw/zinc/89/51/89/453895189.db2.gz WIWJEQHKIBZFQZ-UHFFFAOYSA-N 0 0 347.365 3.123 20 10 EGCDRN CCN(c1cccc(F)c1)S(=O)(=O)c1cccc2nsnc21 ZINC000055663164 454004616 /nfs/dbraw/zinc/00/46/16/454004616.db2.gz PDCSARUETKPSCQ-UHFFFAOYSA-N 0 0 337.401 3.046 20 10 EGCDRN COc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000055877511 454021524 /nfs/dbraw/zinc/02/15/24/454021524.db2.gz ZYXCLFMSRBLSMC-UHFFFAOYSA-N 0 0 340.423 3.056 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)c3ccc(Cl)nc3)CC2)cc1 ZINC000055877549 454021771 /nfs/dbraw/zinc/02/17/71/454021771.db2.gz ZQMPUSODJAQECE-UHFFFAOYSA-N 0 0 345.830 3.096 20 10 EGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CC=CC2)cc1 ZINC000076983974 454056787 /nfs/dbraw/zinc/05/67/87/454056787.db2.gz ZUGGQTQCYFJGPU-IBGZPJMESA-N 0 0 328.456 3.226 20 10 EGCDRN Cc1cc(C(=O)NC[C@H](C)C[C@@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000077050147 454062985 /nfs/dbraw/zinc/06/29/85/454062985.db2.gz BMPQTIWMJPHRHN-TZMCWYRMSA-N 0 0 332.419 3.370 20 10 EGCDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)o1 ZINC000069435950 454105892 /nfs/dbraw/zinc/10/58/92/454105892.db2.gz BVHRMMONSDUILJ-GOSISDBHSA-N 0 0 342.439 3.475 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2cccn2C)cc1F ZINC000057647765 454139440 /nfs/dbraw/zinc/13/94/40/454139440.db2.gz LXBBQXFTBAEDMP-SFHVURJKSA-N 0 0 344.434 3.277 20 10 EGCDRN CN(C)c1ccc(CN(Cc2nc(-c3ccccn3)no2)C2CC2)cc1 ZINC000070009285 454163180 /nfs/dbraw/zinc/16/31/80/454163180.db2.gz HFOQYZKNSAQCOS-UHFFFAOYSA-N 0 0 349.438 3.362 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccnc2OCC(F)F)cc1 ZINC000089602432 454166903 /nfs/dbraw/zinc/16/69/03/454166903.db2.gz HAGZFGDVPSBNCG-UHFFFAOYSA-N 0 0 349.381 3.064 20 10 EGCDRN CC1CCN(c2ccc(CNc3ncnc4nn(C)cc43)cc2)CC1 ZINC000119361903 454189590 /nfs/dbraw/zinc/18/95/90/454189590.db2.gz UKSJBEJMMJVRGF-UHFFFAOYSA-N 0 0 336.443 3.212 20 10 EGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000119455615 454196908 /nfs/dbraw/zinc/19/69/08/454196908.db2.gz GMWLJGLGMVKYKE-QGZVFWFLSA-N 0 0 338.451 3.285 20 10 EGCDRN O=C(c1cc(F)cc(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000071797661 454220586 /nfs/dbraw/zinc/22/05/86/454220586.db2.gz OCYCZVCUESRCTC-KRWDZBQOSA-N 0 0 347.361 3.492 20 10 EGCDRN COc1ccccc1CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000060678890 454311148 /nfs/dbraw/zinc/31/11/48/454311148.db2.gz LYVQZMLEBUEERZ-UHFFFAOYSA-N 0 0 326.440 3.352 20 10 EGCDRN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000132173774 454319680 /nfs/dbraw/zinc/31/96/80/454319680.db2.gz XSDUDAOKJOJKLB-DNVCBOLYSA-N 0 0 341.455 3.064 20 10 EGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCOC1 ZINC000266727807 455443623 /nfs/dbraw/zinc/44/36/23/455443623.db2.gz KJISDZSSAVIGCK-SJLPKXTDSA-N 0 0 345.487 3.147 20 10 EGCDRN Cc1nn(C)cc1/C=C1/CCn2c1nc1sc(C)c(C)c1c2=O ZINC000120857620 454356809 /nfs/dbraw/zinc/35/68/09/454356809.db2.gz OUBVOTRBLIXUTC-GHXNOFRVSA-N 0 0 326.425 3.061 20 10 EGCDRN Cc1ccc(C)c(C(=O)CCC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000098074612 454452588 /nfs/dbraw/zinc/45/25/88/454452588.db2.gz RFGTYBCNZDVWMG-UHFFFAOYSA-N 0 0 341.407 3.036 20 10 EGCDRN O=C(NCCc1ccc(O)c(O)c1)C1(c2ccc(Cl)cc2)CC1 ZINC000098074620 454452641 /nfs/dbraw/zinc/45/26/41/454452641.db2.gz LJOXOPBIYWMJLS-UHFFFAOYSA-N 0 0 331.799 3.142 20 10 EGCDRN CCCc1noc(CCCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000048241290 454461186 /nfs/dbraw/zinc/46/11/86/454461186.db2.gz JXOYIBXUFDJRSY-UHFFFAOYSA-N 0 0 344.459 3.069 20 10 EGCDRN COc1ccc(N(C)Cc2csc(N(C(C)=O)C3CC3)n2)cc1F ZINC000121752428 454472693 /nfs/dbraw/zinc/47/26/93/454472693.db2.gz CHUQOROBKMVRKO-UHFFFAOYSA-N 0 0 349.431 3.443 20 10 EGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc2c(c1)OCCO2 ZINC000048342913 454475896 /nfs/dbraw/zinc/47/58/96/454475896.db2.gz SSRIQRFHNBFQRZ-LFIBNONCSA-N 0 0 344.436 3.350 20 10 EGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccccc1F ZINC000048368383 454480987 /nfs/dbraw/zinc/48/09/87/454480987.db2.gz PQWABSLUBICLSY-UHFFFAOYSA-N 0 0 330.428 3.309 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCCCCC1 ZINC000101853091 454486498 /nfs/dbraw/zinc/48/64/98/454486498.db2.gz SCEUVOKAKHLFQV-UHFFFAOYSA-N 0 0 330.472 3.452 20 10 EGCDRN Cc1cc(C(=O)NCCCc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000102650427 454513944 /nfs/dbraw/zinc/51/39/44/454513944.db2.gz XCCPLHIHRZNSFS-UHFFFAOYSA-N 0 0 336.439 3.190 20 10 EGCDRN CCC(=O)N1CCCN(Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000092186968 454532615 /nfs/dbraw/zinc/53/26/15/454532615.db2.gz QORNQZAAEVJJEJ-UHFFFAOYSA-N 0 0 335.467 3.116 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2cn(C)nc2C(C)(C)C)cc1 ZINC000092234973 454538574 /nfs/dbraw/zinc/53/85/74/454538574.db2.gz JDEZFQSODNTVJV-UHFFFAOYSA-N 0 0 328.460 3.056 20 10 EGCDRN CCCOCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000103413503 454555716 /nfs/dbraw/zinc/55/57/16/454555716.db2.gz VPNVXPLYBCGRSR-UHFFFAOYSA-N 0 0 332.366 3.070 20 10 EGCDRN COc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(C)s2)c1O ZINC000074357145 454570013 /nfs/dbraw/zinc/57/00/13/454570013.db2.gz JXWUZNMQGPGQIA-NSHDSACASA-N 0 0 334.441 3.201 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(=O)OC(C)(C)C ZINC000074437697 454581418 /nfs/dbraw/zinc/58/14/18/454581418.db2.gz MAVIPFWBKUBXAM-UHFFFAOYSA-N 0 0 349.475 3.016 20 10 EGCDRN C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccc(F)cc1F ZINC000122927591 454583255 /nfs/dbraw/zinc/58/32/55/454583255.db2.gz PZHCNBSESGYJPO-NSHDSACASA-N 0 0 335.350 3.229 20 10 EGCDRN CCCN(Cc1ccccc1O)c1ccc2nnc(C(F)F)n2n1 ZINC000092686149 454610972 /nfs/dbraw/zinc/61/09/72/454610972.db2.gz DAGDAZYXJFJHQW-UHFFFAOYSA-N 0 0 333.342 3.184 20 10 EGCDRN COc1cccc(CNC(=O)NC[C@H](C)Cc2cccs2)c1O ZINC000074628986 454611948 /nfs/dbraw/zinc/61/19/48/454611948.db2.gz QFOBKASKBSMODT-GFCCVEGCSA-N 0 0 334.441 3.140 20 10 EGCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1C(=O)OC ZINC000135156169 454640068 /nfs/dbraw/zinc/64/00/68/454640068.db2.gz MLVCPPMKZCVPOB-CMDGGOBGSA-N 0 0 328.343 3.074 20 10 EGCDRN COc1ccc(N2CCCN([C@@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000052466902 454675669 /nfs/dbraw/zinc/67/56/69/454675669.db2.gz RETCGIIXUPENKQ-HNNXBMFYSA-N 0 0 344.459 3.475 20 10 EGCDRN COCCC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000124335187 454720135 /nfs/dbraw/zinc/72/01/35/454720135.db2.gz SPGXTWUZGGNOKD-UHFFFAOYSA-N 0 0 346.471 3.277 20 10 EGCDRN Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000124432829 454732515 /nfs/dbraw/zinc/73/25/15/454732515.db2.gz XFSUWZFYLUAEAG-INIZCTEOSA-N 0 0 341.411 3.309 20 10 EGCDRN CC(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)=C1CCCC1 ZINC000176562691 454759545 /nfs/dbraw/zinc/75/95/45/454759545.db2.gz QYDWKGAMBXHDQG-UHFFFAOYSA-N 0 0 332.419 3.169 20 10 EGCDRN CC1(C)C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000125263279 454808777 /nfs/dbraw/zinc/80/87/77/454808777.db2.gz KRDHTNDKTXPLNO-AWEZNQCLSA-N 0 0 332.444 3.028 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccc2c1OCO2 ZINC000108929150 454816807 /nfs/dbraw/zinc/81/68/07/454816807.db2.gz RAANOKXSXRXDJE-UHFFFAOYSA-N 0 0 342.395 3.243 20 10 EGCDRN COCCCCN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1O ZINC000182227592 455466139 /nfs/dbraw/zinc/46/61/39/455466139.db2.gz IVRPXGNFIDNPTQ-UHFFFAOYSA-N 0 0 343.423 3.475 20 10 EGCDRN CC(C)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nn1C ZINC000266876081 455466968 /nfs/dbraw/zinc/46/69/68/455466968.db2.gz MIBQVRSXLPJWEB-UHFFFAOYSA-N 0 0 340.471 3.414 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]2c2nncn2C)cc1 ZINC000125978128 454861154 /nfs/dbraw/zinc/86/11/54/454861154.db2.gz SMCFLYNTNNKXNY-SFHVURJKSA-N 0 0 349.438 3.200 20 10 EGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)NCc1ccco1 ZINC000111398906 454863914 /nfs/dbraw/zinc/86/39/14/454863914.db2.gz WVUHKKNSRGTLIB-VIFPVBQESA-N 0 0 343.210 3.087 20 10 EGCDRN C[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127983157 455015405 /nfs/dbraw/zinc/01/54/05/455015405.db2.gz FUQCSCOZIBATBA-MRXNPFEDSA-N 0 0 336.439 3.360 20 10 EGCDRN Cc1nnc(-c2cccc(NC(=O)c3ccc(C)c(O)c3O)c2)o1 ZINC000179520104 455055243 /nfs/dbraw/zinc/05/52/43/455055243.db2.gz SHJVBUXTCCNINO-UHFFFAOYSA-N 0 0 325.324 3.017 20 10 EGCDRN CCOc1cccc(CN(C)CC(=O)Nc2c(C)cccc2C)c1O ZINC000179629847 455062651 /nfs/dbraw/zinc/06/26/51/455062651.db2.gz JTZWZRKSAWPGDO-UHFFFAOYSA-N 0 0 342.439 3.478 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000156133071 455084618 /nfs/dbraw/zinc/08/46/18/455084618.db2.gz NEVPAWRDNPRMMQ-SJLPKXTDSA-N 0 0 339.439 3.177 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000171781452 455093509 /nfs/dbraw/zinc/09/35/09/455093509.db2.gz JSGCDPKLVGNVBI-KRWDZBQOSA-N 0 0 340.423 3.318 20 10 EGCDRN Cc1cccc(NC(=O)N2CCN(Cc3cc(F)ccc3O)CC2)c1 ZINC000180025540 455118777 /nfs/dbraw/zinc/11/87/77/455118777.db2.gz DNEOLWBMZUSFRA-UHFFFAOYSA-N 0 0 343.402 3.189 20 10 EGCDRN CCOC(=O)C(C)(C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000119172900 455130155 /nfs/dbraw/zinc/13/01/55/455130155.db2.gz CAWURYMBGDLVBB-UHFFFAOYSA-N 0 0 346.471 3.225 20 10 EGCDRN C[C@@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000172660718 455169409 /nfs/dbraw/zinc/16/94/09/455169409.db2.gz LTLLJJRZQGQTKJ-JSMQFAGNSA-N 0 0 328.456 3.183 20 10 EGCDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)Cc1ccc(N)cc1 ZINC000237533884 455192414 /nfs/dbraw/zinc/19/24/14/455192414.db2.gz FCUMRXXFZOOONU-FZKQIMNGSA-N 0 0 344.842 3.453 20 10 EGCDRN CCOCc1cc(CNCc2cn3cc(C)ccc3n2)ccc1OC ZINC000264360055 455197754 /nfs/dbraw/zinc/19/77/54/455197754.db2.gz HSBAITSTZJRQRL-UHFFFAOYSA-N 0 0 339.439 3.478 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1SCCc2sccc21 ZINC000183470306 455297064 /nfs/dbraw/zinc/29/70/64/455297064.db2.gz 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CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000246717929 455519246 /nfs/dbraw/zinc/51/92/46/455519246.db2.gz CYWVPRBPUTWRKV-RCCFBDPRSA-N 0 0 345.487 3.098 20 10 EGCDRN COC(=O)C[C@](C)([NH2+]Cc1cccc(Cl)c1[O-])c1ccncc1 ZINC000191904323 455529387 /nfs/dbraw/zinc/52/93/87/455529387.db2.gz ZOKCGUQSGZPJBN-KRWDZBQOSA-N 0 0 334.803 3.009 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCCSC2)C2CC2)cc1 ZINC000267376586 455549424 /nfs/dbraw/zinc/54/94/24/455549424.db2.gz UZTXOGJMCOPQCX-HNNXBMFYSA-N 0 0 333.501 3.322 20 10 EGCDRN CCn1nc(NC(=O)NCc2ccc(N(C)C)cc2)cc1C1CC1 ZINC000267392453 455549978 /nfs/dbraw/zinc/54/99/78/455549978.db2.gz MVBOSSUOLIAQOP-UHFFFAOYSA-N 0 0 327.432 3.168 20 10 EGCDRN CC(C)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000271532628 455674866 /nfs/dbraw/zinc/67/48/66/455674866.db2.gz OGVCSULIQAGUTI-IEBWSBKVSA-N 0 0 343.471 3.066 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000248158230 455691476 /nfs/dbraw/zinc/69/14/76/455691476.db2.gz 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/nfs/dbraw/zinc/76/25/19/455762519.db2.gz RGWKCIRCFSHYNF-UHFFFAOYSA-N 0 0 349.228 3.355 20 10 EGCDRN CN(Cc1ncnn1CC(F)F)Cc1c(O)ccc2ccccc21 ZINC000278171450 455776532 /nfs/dbraw/zinc/77/65/32/455776532.db2.gz BEKIJRSZOJJTML-UHFFFAOYSA-N 0 0 332.354 3.034 20 10 EGCDRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)N(C)Cc1ccccc1O ZINC000293426518 455785240 /nfs/dbraw/zinc/78/52/40/455785240.db2.gz PZKPETPYNPIQSM-AWEZNQCLSA-N 0 0 335.407 3.173 20 10 EGCDRN COc1cc(N(C)Cc2c(F)ccc(O)c2F)cc(OC)c1OC ZINC000293645857 455793578 /nfs/dbraw/zinc/79/35/78/455793578.db2.gz OHLBFBXLQRDUMS-UHFFFAOYSA-N 0 0 339.338 3.333 20 10 EGCDRN C(=C/c1ccc(N2CCOCC2)cc1)\c1nc(CC2CCC2)no1 ZINC000285143378 455795093 /nfs/dbraw/zinc/79/50/93/455795093.db2.gz ODXCEAQHBFGGGQ-RMKNXTFCSA-N 0 0 325.412 3.419 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC1Cc2ccccc2C1 ZINC000186578976 455798538 /nfs/dbraw/zinc/79/85/38/455798538.db2.gz SIMNMGNFIZAKAJ-UHFFFAOYSA-N 0 0 333.435 3.029 20 10 EGCDRN c1csc([C@@H](NCc2ccc(N3CCCC3)cc2)c2nc[nH]n2)c1 ZINC000293872765 455799059 /nfs/dbraw/zinc/79/90/59/455799059.db2.gz UYKDTKSPLGLPPO-QGZVFWFLSA-N 0 0 339.468 3.346 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3ccsc3C)CC2)cc1F ZINC000294793890 455827750 /nfs/dbraw/zinc/82/77/50/455827750.db2.gz BJJJZBKWAOSDGT-UHFFFAOYSA-N 0 0 334.416 3.167 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(C(=O)OC)cc1 ZINC000294822723 455828367 /nfs/dbraw/zinc/82/83/67/455828367.db2.gz GYNGGQBOKJRQEN-UHFFFAOYSA-N 0 0 341.407 3.160 20 10 EGCDRN COC(=O)c1cnc(Sc2cc(Cl)nc(C3CC3)n2)s1 ZINC000294864751 455829555 /nfs/dbraw/zinc/82/95/55/455829555.db2.gz CNPGKHBDJSBRQJ-UHFFFAOYSA-N 0 0 327.818 3.402 20 10 EGCDRN Cc1sccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000294955196 455832907 /nfs/dbraw/zinc/83/29/07/455832907.db2.gz WESRLZLETQBGPK-UHFFFAOYSA-N 0 0 344.480 3.195 20 10 EGCDRN C[C@H](NC(=O)NCc1ccccc1O)c1nc(C(F)(F)F)cs1 ZINC000278394518 455835310 /nfs/dbraw/zinc/83/53/10/455835310.db2.gz FAUKOQCOWUUTCV-QMMMGPOBSA-N 0 0 345.346 3.428 20 10 EGCDRN CC[C@H](C)[C@H](NC(=O)NCc1cccc(OC)c1O)C(F)(F)F ZINC000278462893 455835894 /nfs/dbraw/zinc/83/58/94/455835894.db2.gz HKWXDGOPDVVVQP-ZANVPECISA-N 0 0 334.338 3.177 20 10 EGCDRN COc1c([O-])c(C[NH2+]C[C@@H](c2cccnc2)C(C)C)ccc1[N+](=O)[O-] ZINC000278462563 455836163 /nfs/dbraw/zinc/83/61/63/455836163.db2.gz FHHJCWWTJHILKQ-OAHLLOKOSA-N 0 0 345.399 3.233 20 10 EGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCCCO2)cc1 ZINC000269329744 455837031 /nfs/dbraw/zinc/83/70/31/455837031.db2.gz CQOGSWOJTUQLBE-LJQANCHMSA-N 0 0 342.439 3.444 20 10 EGCDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000194402556 455838358 /nfs/dbraw/zinc/83/83/58/455838358.db2.gz SCLKLRCPPGHIGV-UHFFFAOYSA-N 0 0 339.395 3.433 20 10 EGCDRN COCCSCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000278533236 455839131 /nfs/dbraw/zinc/83/91/31/455839131.db2.gz QUKFJDPBQKZAQN-QGZVFWFLSA-N 0 0 339.501 3.143 20 10 EGCDRN COc1c(O)c(CNc2ccccc2OCCF)ccc1[N+](=O)[O-] ZINC000295172165 455842454 /nfs/dbraw/zinc/84/24/54/455842454.db2.gz UMGJKNNGPGITSX-UHFFFAOYSA-N 0 0 336.319 3.269 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000186905896 455849371 /nfs/dbraw/zinc/84/93/71/455849371.db2.gz NFZIBMXBMXJEBT-GFCCVEGCSA-N 0 0 338.363 3.259 20 10 EGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC(OCc2ccccc2)CC1 ZINC000295846063 455861486 /nfs/dbraw/zinc/86/14/86/455861486.db2.gz WCRQWQQYQBBPMB-UHFFFAOYSA-N 0 0 345.370 3.058 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CO)c(F)c1 ZINC000279251932 455861573 /nfs/dbraw/zinc/86/15/73/455861573.db2.gz RTWCNYVSWGAOCD-UHFFFAOYSA-N 0 0 330.403 3.046 20 10 EGCDRN Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCCO2)c(C)n1-c1ccccn1 ZINC000272154129 455861691 /nfs/dbraw/zinc/86/16/91/455861691.db2.gz RRYCZCAAEIHELT-PBHICJAKSA-N 0 0 327.428 3.177 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000285557908 455869870 /nfs/dbraw/zinc/86/98/70/455869870.db2.gz FQDYMYUFKJNICL-VYROHLMNSA-N 0 0 326.387 3.014 20 10 EGCDRN COc1ccc(O)c(CNc2cccc(NC(=O)N(C)C)c2C)c1 ZINC000279667216 455870619 /nfs/dbraw/zinc/87/06/19/455870619.db2.gz MUORIWMFDIJVOK-UHFFFAOYSA-N 0 0 329.400 3.415 20 10 EGCDRN COC1(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000296185710 455874755 /nfs/dbraw/zinc/87/47/55/455874755.db2.gz CMWGFLRFDYPYFB-UHFFFAOYSA-N 0 0 331.460 3.045 20 10 EGCDRN CC[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(F)cc1[O-] ZINC000285602155 455879498 /nfs/dbraw/zinc/87/94/98/455879498.db2.gz JVWIZKBXCPVETI-QGZVFWFLSA-N 0 0 345.418 3.004 20 10 EGCDRN CCOC(=O)[C@H](NCc1cccc(OCC)c1O)c1ccccc1 ZINC000194750359 455879658 /nfs/dbraw/zinc/87/96/58/455879658.db2.gz NTTJNTFQKCJXTR-QGZVFWFLSA-N 0 0 329.396 3.185 20 10 EGCDRN CCc1[nH]ccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000285633495 455885650 /nfs/dbraw/zinc/88/56/50/455885650.db2.gz AXZPLXVFCFHONF-OAHLLOKOSA-N 0 0 328.412 3.104 20 10 EGCDRN CC(=O)Nc1ccc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000187343570 455898379 /nfs/dbraw/zinc/89/83/79/455898379.db2.gz DEISERWCPCBKGR-UHFFFAOYSA-N 0 0 339.439 3.292 20 10 EGCDRN CCCOc1ccc(CNc2ccc(C(=O)N(C)C)cc2)c(O)c1 ZINC000195065592 455919033 /nfs/dbraw/zinc/91/90/33/455919033.db2.gz OXIVKUKPXQVJBE-UHFFFAOYSA-N 0 0 328.412 3.495 20 10 EGCDRN CC[C@@H](Nc1ccc2c(c1)CCN2C(=O)COC)c1ccccc1O ZINC000187654164 455934741 /nfs/dbraw/zinc/93/47/41/455934741.db2.gz ARZGGPPDRYVIGB-QGZVFWFLSA-N 0 0 340.423 3.491 20 10 EGCDRN C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280283796 455935559 /nfs/dbraw/zinc/93/55/59/455935559.db2.gz MYMLRFLCNZWNBG-DOMZBBRYSA-N 0 0 346.393 3.055 20 10 EGCDRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000272518088 455979433 /nfs/dbraw/zinc/97/94/33/455979433.db2.gz VLRZDDOMVGKXBO-HXUWFJFHSA-N 0 0 338.451 3.462 20 10 EGCDRN Cc1cc(N(Cc2ccccc2O)C[C@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000270572567 455986007 /nfs/dbraw/zinc/98/60/07/455986007.db2.gz BSUHENAFHOWDNK-OAHLLOKOSA-N 0 0 343.383 3.189 20 10 EGCDRN CC1(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000280528952 455991261 /nfs/dbraw/zinc/99/12/61/455991261.db2.gz 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COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000273363316 456225184 /nfs/dbraw/zinc/22/51/84/456225184.db2.gz AVODXYDNENQYSR-ZBEGNZNMSA-N 0 0 327.380 3.223 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)c1 ZINC000273356801 456225615 /nfs/dbraw/zinc/22/56/15/456225615.db2.gz CTDLXDHLLCXFEE-CKFHNAJUSA-N 0 0 343.423 3.342 20 10 EGCDRN COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273555202 456238958 /nfs/dbraw/zinc/23/89/58/456238958.db2.gz GRSBCMXGTUZIJH-STQMWFEESA-N 0 0 346.383 3.427 20 10 EGCDRN CCc1ncnc(NC2CCN(c3ccc(OC)cc3)CC2)c1F ZINC000301889036 456243477 /nfs/dbraw/zinc/24/34/77/456243477.db2.gz QETUWHXPQKIXID-UHFFFAOYSA-N 0 0 330.407 3.268 20 10 EGCDRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000237223428 456249744 /nfs/dbraw/zinc/24/97/44/456249744.db2.gz CQYCYMMZDNOXGM-KPZWWZAWSA-N 0 0 332.831 3.357 20 10 EGCDRN COC1(c2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)CCC1 ZINC000274165256 456252234 /nfs/dbraw/zinc/25/22/34/456252234.db2.gz YIGNSLKBTVOJHE-VMPITWQZSA-N 0 0 341.411 3.102 20 10 EGCDRN COc1cccc(CNC(=O)c2cc(C)oc2C(F)(F)F)c1O ZINC000274701441 456264338 /nfs/dbraw/zinc/26/43/38/456264338.db2.gz YHFHOWJTHPUWCN-UHFFFAOYSA-N 0 0 329.274 3.251 20 10 EGCDRN CN(C)c1ccc(CN2CCC(C(=O)C(F)(F)F)CC2)cc1F ZINC000274931945 456268505 /nfs/dbraw/zinc/26/85/05/456268505.db2.gz OJTLGPKGRRDJAW-UHFFFAOYSA-N 0 0 332.341 3.235 20 10 EGCDRN CCc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000302072846 456279947 /nfs/dbraw/zinc/27/99/47/456279947.db2.gz ZPNXOAVCPVRHKU-CQSZACIVSA-N 0 0 326.444 3.357 20 10 EGCDRN COc1cccc(CNC(=O)NCCc2ccc(SC)cc2)c1O ZINC000281658843 456284982 /nfs/dbraw/zinc/28/49/82/456284982.db2.gz XSTYONPPAMJMAZ-UHFFFAOYSA-N 0 0 346.452 3.165 20 10 EGCDRN CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CCCO1 ZINC000281662830 456286486 /nfs/dbraw/zinc/28/64/86/456286486.db2.gz OKZZVYYBVMUNKY-INIZCTEOSA-N 0 0 327.428 3.130 20 10 EGCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1OC 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O=C(NCCc1ccc(O)c(O)c1)C1(c2ccccc2F)CCCC1 ZINC000298767461 456536805 /nfs/dbraw/zinc/53/68/05/456536805.db2.gz OTPWOWGUFVTHRB-UHFFFAOYSA-N 0 0 343.398 3.408 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)nnn2C ZINC000282524171 456541007 /nfs/dbraw/zinc/54/10/07/456541007.db2.gz PSRRLPKMLTUPQS-UHFFFAOYSA-N 0 0 338.411 3.116 20 10 EGCDRN Cc1cccnc1N(C)C(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000298824635 456549343 /nfs/dbraw/zinc/54/93/43/456549343.db2.gz YZFVXYUNAZIMTF-UHFFFAOYSA-N 0 0 345.443 3.310 20 10 EGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cccn3)cc2Cl)C1 ZINC000282676566 456589568 /nfs/dbraw/zinc/58/95/68/456589568.db2.gz OAYZIYBLNHGQTH-CQSZACIVSA-N 0 0 346.862 3.089 20 10 EGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC2CC2)cc1 ZINC000299099726 456605179 /nfs/dbraw/zinc/60/51/79/456605179.db2.gz XDYRZYNRVPDSPZ-UHFFFAOYSA-N 0 0 327.428 3.467 20 10 EGCDRN CN(C)c1ccc(CNC(=O)CCOCc2ccccc2)cc1F ZINC000299304229 456653404 /nfs/dbraw/zinc/65/34/04/456653404.db2.gz CFEMYUPONZEDPY-UHFFFAOYSA-N 0 0 330.403 3.115 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000277143367 456696199 /nfs/dbraw/zinc/69/61/99/456696199.db2.gz DCZYNZRFSSUEKE-VHSXEESVSA-N 0 0 330.375 3.234 20 10 EGCDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291640423 456705284 /nfs/dbraw/zinc/70/52/84/456705284.db2.gz TUUVRYXZWFXEAA-ZDUSSCGKSA-N 0 0 338.404 3.089 20 10 EGCDRN CCc1csc(CC(=O)NCc2ccc(N(CC)CC)cc2)n1 ZINC000283181986 456730076 /nfs/dbraw/zinc/73/00/76/456730076.db2.gz LOBBXKAHDFKFRY-UHFFFAOYSA-N 0 0 331.485 3.411 20 10 EGCDRN COCCCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000299687718 456764186 /nfs/dbraw/zinc/76/41/86/456764186.db2.gz XSZFRVWIODIJQI-LJQANCHMSA-N 0 0 348.487 3.077 20 10 EGCDRN C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)CCS1(=O)=O ZINC000277331392 456781770 /nfs/dbraw/zinc/78/17/70/456781770.db2.gz CRKBLGHEQVHTDC-OAHLLOKOSA-N 0 0 345.464 3.068 20 10 EGCDRN CCc1nc(C)c(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000291896705 456791696 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CC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)[C@@H]1CCCO1 ZINC000349814552 457062980 /nfs/dbraw/zinc/06/29/80/457062980.db2.gz UGYBMDLRIZRXCQ-YJBOKZPZSA-N 0 0 329.444 3.244 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1c(C)cccc1C ZINC000351664042 457309772 /nfs/dbraw/zinc/30/97/72/457309772.db2.gz CLSXNKZEBHQLKO-UHFFFAOYSA-N 0 0 349.434 3.358 20 10 EGCDRN CC(=O)[C@H]1C[C@@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)C1(C)C ZINC000352397396 457359607 /nfs/dbraw/zinc/35/96/07/457359607.db2.gz JHOUOOFXZSNHHV-GOEBONIOSA-N 0 0 344.455 3.119 20 10 EGCDRN CCc1nc([C@@H]2CCCCN2Cc2cc(OC)c(OC)cc2O)no1 ZINC000378442967 457397507 /nfs/dbraw/zinc/39/75/07/457397507.db2.gz LVKMNIULGBELKS-ZDUSSCGKSA-N 0 0 347.415 3.082 20 10 EGCDRN Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c(O)c1O ZINC000370141379 457560769 /nfs/dbraw/zinc/56/07/69/457560769.db2.gz SAGDTAJMGCKLRW-HNNXBMFYSA-N 0 0 329.371 3.393 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000370465470 457654054 /nfs/dbraw/zinc/65/40/54/457654054.db2.gz 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COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C2CCC(O)CC2)c1 ZINC000841403165 1321269267 /nfs/dbraw/zinc/26/92/67/1321269267.db2.gz ADJQIYNBVDLBGM-HSBZDZAISA-N 0 0 335.444 3.155 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841753390 1321306733 /nfs/dbraw/zinc/30/67/33/1321306733.db2.gz ZJIJUFKVIJIBMS-GXTWGEPZSA-N 0 0 325.836 3.424 20 10 EGCDRN CCc1cccc2c1OCC[C@@H]2NC(=O)NCCc1ccc(N)cc1 ZINC000841775039 1321311323 /nfs/dbraw/zinc/31/13/23/1321311323.db2.gz RJIBWJFDAKSSAN-SFHVURJKSA-N 0 0 339.439 3.197 20 10 EGCDRN Cc1ccccc1C(C)(C)CNC(=O)NCCc1ccc(N)cc1 ZINC000841774362 1321311383 /nfs/dbraw/zinc/31/13/83/1321311383.db2.gz BLUHRGOWVDMNMY-UHFFFAOYSA-N 0 0 325.456 3.397 20 10 EGCDRN Cc1c(NC(=O)N(Cc2ccccc2O)C2CCCCC2)nnn1C ZINC000841793744 1321312567 /nfs/dbraw/zinc/31/25/67/1321312567.db2.gz SPOPNWZRLRYNNJ-UHFFFAOYSA-N 0 0 343.431 3.196 20 10 EGCDRN CC(C)[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000841795981 1321313372 /nfs/dbraw/zinc/31/33/72/1321313372.db2.gz YWMCCOWXNCLQBW-OAHLLOKOSA-N 0 0 349.431 3.032 20 10 EGCDRN Nc1ccc(CCNC(=O)N(CCc2ccc(F)cc2)C2CC2)cc1 ZINC000841954556 1321331679 /nfs/dbraw/zinc/33/16/79/1321331679.db2.gz NWVWHCBSUDAZHV-UHFFFAOYSA-N 0 0 341.430 3.367 20 10 EGCDRN Cc1cnc(C2CCN(C(=O)NCCc3ccc(N)cc3)CC2)s1 ZINC000841959052 1321332487 /nfs/dbraw/zinc/33/24/87/1321332487.db2.gz KAEIMCTZLHYDJP-UHFFFAOYSA-N 0 0 344.484 3.165 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000841957070 1321332588 /nfs/dbraw/zinc/33/25/88/1321332588.db2.gz MRXKULZCWALABU-IBGZPJMESA-N 0 0 337.467 3.476 20 10 EGCDRN COc1ccc([C@@H]2CCCN2C(=O)NCCc2ccc(N)cc2)cc1 ZINC000841962244 1321332885 /nfs/dbraw/zinc/33/28/85/1321332885.db2.gz NLGSQUPPUAFBII-IBGZPJMESA-N 0 0 339.439 3.367 20 10 EGCDRN [NH3+]C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C1CCCC1 ZINC000841987677 1321333589 /nfs/dbraw/zinc/33/35/89/1321333589.db2.gz PSFGCEPWHAHDCL-ZDUSSCGKSA-N 0 0 346.258 3.016 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc2c1CCCN2 ZINC000841993784 1321334356 /nfs/dbraw/zinc/33/43/56/1321334356.db2.gz AFBNCPGFSKQEFS-UHFFFAOYSA-N 0 0 325.412 3.092 20 10 EGCDRN CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)C(=O)OC(C)(C)C ZINC000842772311 1321430317 /nfs/dbraw/zinc/43/03/17/1321430317.db2.gz SYBFTUOQPMCNQB-SFHVURJKSA-N 0 0 348.487 3.374 20 10 EGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CCc4ncncc4C3)cc12 ZINC000842820818 1321435718 /nfs/dbraw/zinc/43/57/18/1321435718.db2.gz DFHHPUVXIFRSOL-AWEZNQCLSA-N 0 0 335.407 3.296 20 10 EGCDRN COc1ccc(OCCCc2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843160793 1321481321 /nfs/dbraw/zinc/48/13/21/1321481321.db2.gz IZGKIEWJVUHNBI-UHFFFAOYSA-N 0 0 339.395 3.263 20 10 EGCDRN Cc1ccc(CNC(=S)Nc2ccc3c(c2)OCCCO3)nc1 ZINC000843281164 1321498088 /nfs/dbraw/zinc/49/80/88/1321498088.db2.gz NPTBEGVELWLLJP-UHFFFAOYSA-N 0 0 329.425 3.038 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)C3CC4(CCC4)C3)CC2)cc1 ZINC000843542621 1321526657 /nfs/dbraw/zinc/52/66/57/1321526657.db2.gz UJVSPDQQPIBSDM-UHFFFAOYSA-N 0 0 328.456 3.361 20 10 EGCDRN CCn1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000843758782 1321544559 /nfs/dbraw/zinc/54/45/59/1321544559.db2.gz YDWDVLQUDGNWSI-UHFFFAOYSA-N 0 0 326.444 3.166 20 10 EGCDRN CSc1ccc(CCCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000843831536 1321551420 /nfs/dbraw/zinc/55/14/20/1321551420.db2.gz QNAJNAPAHKBBLM-UHFFFAOYSA-N 0 0 331.437 3.459 20 10 EGCDRN CN(C)c1ccc(CNC(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000844307773 1321587926 /nfs/dbraw/zinc/58/79/26/1321587926.db2.gz UNTAIUICGPKCEN-GJZGRUSLSA-N 0 0 344.377 3.116 20 10 EGCDRN COc1ccc(N(C)CC(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC000844353236 1321592737 /nfs/dbraw/zinc/59/27/37/1321592737.db2.gz RYZJHENSOOERRK-UHFFFAOYSA-N 0 0 342.439 3.235 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ncc(C)s2)cc1 ZINC000844487904 1321612246 /nfs/dbraw/zinc/61/22/46/1321612246.db2.gz KFDCGMIPTBVSQB-UHFFFAOYSA-N 0 0 334.445 3.060 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CC[C@H](C)CC3)C2)cc1 ZINC000844601912 1321625023 /nfs/dbraw/zinc/62/50/23/1321625023.db2.gz HXHJPTQKCINTKZ-ULQDDVLXSA-N 0 0 330.472 3.464 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C\c2ccsc2)cc1 ZINC000844851961 1321650259 /nfs/dbraw/zinc/65/02/59/1321650259.db2.gz BVRROJQMSYRVAR-WTKPLQERSA-N 0 0 330.453 3.365 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(F)c(C)c2)cc1 ZINC000844852949 1321650294 /nfs/dbraw/zinc/65/02/94/1321650294.db2.gz AWMOWFUZEMFBQT-UHFFFAOYSA-N 0 0 330.403 3.351 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc(C(C)=O)c2)cc1 ZINC000844855281 1321650994 /nfs/dbraw/zinc/65/09/94/1321650994.db2.gz TXYYVHDNDHESSV-UHFFFAOYSA-N 0 0 340.423 3.106 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)c2ccncc2)cc1 ZINC000844855270 1321651000 /nfs/dbraw/zinc/65/10/00/1321651000.db2.gz SVDDXUPEXLGCLV-INIZCTEOSA-N 0 0 341.455 3.179 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc3cc[nH]c3c2)cc1 ZINC000844853299 1321651201 /nfs/dbraw/zinc/65/12/01/1321651201.db2.gz VEMAOLMNRWODOX-UHFFFAOYSA-N 0 0 337.423 3.385 20 10 EGCDRN O=C(NCCC[C@@H]1CCCCO1)NCc1cc(Cl)ccc1O ZINC000845111141 1321676845 /nfs/dbraw/zinc/67/68/45/1321676845.db2.gz IJWZWMKHTZQKCZ-AWEZNQCLSA-N 0 0 326.824 3.194 20 10 EGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC12CCOCC2 ZINC000845176577 1321680478 /nfs/dbraw/zinc/68/04/78/1321680478.db2.gz GPGLGOFYHJUPCI-OAHLLOKOSA-N 0 0 338.835 3.194 20 10 EGCDRN Cc1cc(CNC(=O)OC2CCOCC2)c(C)n1-c1ccccc1 ZINC000859362848 1328976541 /nfs/dbraw/zinc/97/65/41/1328976541.db2.gz NKEKIAJPSNTFLM-UHFFFAOYSA-N 0 0 328.412 3.499 20 10 EGCDRN COc1ccc(N(C)CCN(C)c2nccc(C(F)(F)F)n2)cc1 ZINC000845666280 1321730979 /nfs/dbraw/zinc/73/09/79/1321730979.db2.gz DRHHESOTKTUYNY-UHFFFAOYSA-N 0 0 340.349 3.077 20 10 EGCDRN COc1ccc(N(C)CCN(C)Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000846051702 1321764313 /nfs/dbraw/zinc/76/43/13/1321764313.db2.gz LCZXSDAKBKAZTQ-UHFFFAOYSA-N 0 0 342.365 3.005 20 10 EGCDRN COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C1CC1 ZINC000846124044 1321769505 /nfs/dbraw/zinc/76/95/05/1321769505.db2.gz WNLUMWFOKZVBHR-QWHCGFSZSA-N 0 0 344.238 3.330 20 10 EGCDRN COc1cccc([C@H](C)Nc2ccc(N3CCOCC3)nc2C)c1O ZINC000846164901 1321772919 /nfs/dbraw/zinc/77/29/19/1321772919.db2.gz ZVFHHHRPLHEWBT-ZDUSSCGKSA-N 0 0 343.427 3.114 20 10 EGCDRN COc1cccc([C@@H](C)Nc2cccc(N3CCOCC3)c2)c1O ZINC000846162241 1321773375 /nfs/dbraw/zinc/77/33/75/1321773375.db2.gz JXRMNYNZWVEXQT-CQSZACIVSA-N 0 0 328.412 3.411 20 10 EGCDRN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000846205675 1321775431 /nfs/dbraw/zinc/77/54/31/1321775431.db2.gz JQBOSQROTBKTKU-UWVGGRQHSA-N 0 0 343.254 3.361 20 10 EGCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H](F)[C@@H](F)C2)CCCC1 ZINC000846239771 1321779723 /nfs/dbraw/zinc/77/97/23/1321779723.db2.gz BMTYMUIKJUZUBP-IYBDPMFKSA-N 0 0 348.393 3.047 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(O)ccc2Cl)cc1 ZINC000846442159 1321786438 /nfs/dbraw/zinc/78/64/38/1321786438.db2.gz KSCIQUYFTWXEFF-UHFFFAOYSA-N 0 0 348.830 3.263 20 10 EGCDRN CN(Cc1nnn(C(C)(C)C)n1)Cc1ccc(N2CCCCC2)cc1 ZINC000846766613 1321806006 /nfs/dbraw/zinc/80/60/06/1321806006.db2.gz UYWCTSJZOFLMGI-UHFFFAOYSA-N 0 0 342.491 3.050 20 10 EGCDRN COc1ccc(N2CCN(C(=O)/C(C)=C\c3ccco3)CC2)cc1 ZINC000846768087 1321806346 /nfs/dbraw/zinc/80/63/46/1321806346.db2.gz BHLPINNZCPPUEO-PFONDFGASA-N 0 0 326.396 3.040 20 10 EGCDRN CN(C)c1ccc(CNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)cc1 ZINC000846783755 1321808647 /nfs/dbraw/zinc/80/86/47/1321808647.db2.gz CNVHAWRFKWWTEG-SFHVURJKSA-N 0 0 345.874 3.325 20 10 EGCDRN C[C@H](NC(=O)NCc1noc2ccccc12)c1ccc(N(C)C)cc1 ZINC000847355782 1321865336 /nfs/dbraw/zinc/86/53/36/1321865336.db2.gz GOXBELKQFPNZQK-ZDUSSCGKSA-N 0 0 338.411 3.454 20 10 EGCDRN Cc1cnc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000847355619 1321865463 /nfs/dbraw/zinc/86/54/63/1321865463.db2.gz CEIMIRJSPJHRKY-MRXNPFEDSA-N 0 0 340.471 3.367 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc3[nH]c(=O)[nH]c32)cc1 ZINC000847358285 1321866097 /nfs/dbraw/zinc/86/60/97/1321866097.db2.gz VEWDKUQNZOAELE-UHFFFAOYSA-N 0 0 338.411 3.045 20 10 EGCDRN Cc1cnc2cc(C(=O)NCCCSc3nccs3)ccn12 ZINC000847488277 1321874312 /nfs/dbraw/zinc/87/43/12/1321874312.db2.gz VXKYILPUTIIVEP-UHFFFAOYSA-N 0 0 332.454 3.011 20 10 EGCDRN COc1ccc2c(c1)[C@H](C(=O)NCc1cccc(OC)c1O)CCC2 ZINC000847588662 1321882059 /nfs/dbraw/zinc/88/20/59/1321882059.db2.gz ASMNDWBXBDILNR-MRXNPFEDSA-N 0 0 341.407 3.146 20 10 EGCDRN C[C@@H](NCc1nnn(C(C)(C)C)n1)c1ccc(N2CCCCC2)cc1 ZINC000848560413 1321976366 /nfs/dbraw/zinc/97/63/66/1321976366.db2.gz DLONDSKLTQOVRE-OAHLLOKOSA-N 0 0 342.491 3.269 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(F)cc(F)c1[O-] ZINC000848557822 1321976370 /nfs/dbraw/zinc/97/63/70/1321976370.db2.gz HSFCKTRGBLKSTP-MGPLVRAMSA-N 0 0 332.350 3.275 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000848564873 1321977105 /nfs/dbraw/zinc/97/71/05/1321977105.db2.gz QYFSYIALNNLJFY-IUCAKERBSA-N 0 0 341.242 3.036 20 10 EGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848574194 1321978652 /nfs/dbraw/zinc/97/86/52/1321978652.db2.gz BJEXOPPFIWBBRR-LSDHHAIUSA-N 0 0 339.277 3.261 20 10 EGCDRN CCn1c2ccccc2nc(NCc2ccc(N(C)C)cc2C)c1=O ZINC000848666064 1321990549 /nfs/dbraw/zinc/99/05/49/1321990549.db2.gz UYJPLHJZCRSEIN-UHFFFAOYSA-N 0 0 336.439 3.403 20 10 EGCDRN CCc1cccc(CN2CCN(C(=O)c3ccc(C)s3)CC2)c1O ZINC000848884172 1322028417 /nfs/dbraw/zinc/02/84/17/1322028417.db2.gz ZGNOYDCEYWLFCZ-UHFFFAOYSA-N 0 0 344.480 3.283 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)c2c[nH]c3ncccc23)C2CC2)cc1 ZINC000919709682 1322096943 /nfs/dbraw/zinc/09/69/43/1322096943.db2.gz YNXNFMHYABHAEW-UHFFFAOYSA-N 0 0 334.423 3.434 20 10 EGCDRN CO[C@H](CS(=O)(=O)Nc1ccc(O)c(Cl)c1)C1CCCCC1 ZINC000849307712 1322109724 /nfs/dbraw/zinc/10/97/24/1322109724.db2.gz CZZMTNVQFQPWHI-OAHLLOKOSA-N 0 0 347.864 3.383 20 10 EGCDRN COc1ccc(N(C)CC(=O)Nc2c(F)cccc2F)cc1OC ZINC000920418773 1322175366 /nfs/dbraw/zinc/17/53/66/1322175366.db2.gz FXEAQBMPPJLFPA-UHFFFAOYSA-N 0 0 336.338 3.057 20 10 EGCDRN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1ncc(Cl)s1 ZINC000849997939 1322178618 /nfs/dbraw/zinc/17/86/18/1322178618.db2.gz HSPSIVRHHHBGKL-IUCAKERBSA-N 0 0 347.893 3.293 20 10 EGCDRN COc1ccccc1CCNC(=O)CSc1ncc(Cl)s1 ZINC000849998342 1322178727 /nfs/dbraw/zinc/17/87/27/1322178727.db2.gz NGPASJGAVWHRNK-UHFFFAOYSA-N 0 0 342.873 3.256 20 10 EGCDRN C[C@@H](NC(=O)N(C)[C@H](C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000920921707 1322235914 /nfs/dbraw/zinc/23/59/14/1322235914.db2.gz QQXBXZKRANXOEC-HUUCEWRRSA-N 0 0 331.460 3.024 20 10 EGCDRN Cn1nc(C2CC2)cc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000930934902 1329012452 /nfs/dbraw/zinc/01/24/52/1329012452.db2.gz PPCNKYAPZAADNX-UHFFFAOYSA-N 0 0 338.455 3.218 20 10 EGCDRN CCN(C[C@@H](O)COc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000921061664 1322250615 /nfs/dbraw/zinc/25/06/15/1322250615.db2.gz JQPRJECVWCXGGG-QGZVFWFLSA-N 0 0 345.439 3.278 20 10 EGCDRN C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(Br)cc(F)c1[O-] ZINC000850516885 1322260877 /nfs/dbraw/zinc/26/08/77/1322260877.db2.gz PCTNSOKVKVAGAL-RKDXNWHRSA-N 0 0 332.213 3.105 20 10 EGCDRN C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000850546117 1322263730 /nfs/dbraw/zinc/26/37/30/1322263730.db2.gz WJQPGNFLQLRGNZ-GXSJLCMTSA-N 0 0 346.240 3.353 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(OC)c2C)c1 ZINC000850579552 1322271891 /nfs/dbraw/zinc/27/18/91/1322271891.db2.gz WILWSTRRZNRUKF-ZDUSSCGKSA-N 0 0 329.396 3.347 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)[C@H]2CCOC2)c1 ZINC000859598588 1329031784 /nfs/dbraw/zinc/03/17/84/1329031784.db2.gz HZMWOHYDEPYPNQ-PBHICJAKSA-N 0 0 340.423 3.061 20 10 EGCDRN CCCc1noc(COC(=O)c2sc3nc(C)cc(C)c3c2N)n1 ZINC000924236414 1322948016 /nfs/dbraw/zinc/94/80/16/1322948016.db2.gz HWNKKRDVEUOIOY-UHFFFAOYSA-N 0 0 346.412 3.188 20 10 EGCDRN C[C@H](NC(=O)N(C)C[C@@H]1CC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000852012567 1323132450 /nfs/dbraw/zinc/13/24/50/1323132450.db2.gz MCIIRQRNWOGYII-RDJZCZTQSA-N 0 0 345.487 3.272 20 10 EGCDRN C[C@@H](NC(=O)N(C)C[C@@H]1CC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000852012568 1323132724 /nfs/dbraw/zinc/13/27/24/1323132724.db2.gz MCIIRQRNWOGYII-WBVHZDCISA-N 0 0 345.487 3.272 20 10 EGCDRN CC(C)(C)OCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000852138275 1323153093 /nfs/dbraw/zinc/15/30/93/1323153093.db2.gz MEZKRCAFNNYQKU-UHFFFAOYSA-N 0 0 331.460 3.067 20 10 EGCDRN CO[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1 ZINC000852138414 1323153962 /nfs/dbraw/zinc/15/39/62/1323153962.db2.gz NGZGBATYDPSLOK-LJQANCHMSA-N 0 0 343.471 3.067 20 10 EGCDRN C[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cnn(C)n1 ZINC000924854893 1323189473 /nfs/dbraw/zinc/18/94/73/1323189473.db2.gz NSYKJAKIDJZGLG-OAHLLOKOSA-N 0 0 327.476 3.435 20 10 EGCDRN CC[C@@H](C)CCNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000852490427 1323198191 /nfs/dbraw/zinc/19/81/91/1323198191.db2.gz MXYDCELWYIRMJS-CQSZACIVSA-N 0 0 337.439 3.102 20 10 EGCDRN CC[C@@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852596383 1323214162 /nfs/dbraw/zinc/21/41/62/1323214162.db2.gz 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EGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(NC(=O)NC)cc1 ZINC000934707161 1330001680 /nfs/dbraw/zinc/00/16/80/1330001680.db2.gz ZPYGHDJTJAWSHU-UHFFFAOYSA-N 0 0 341.411 3.196 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1Cc2ccccc2S1 ZINC000935946521 1330098467 /nfs/dbraw/zinc/09/84/67/1330098467.db2.gz IZBBKWNEFIWPEG-OAHLLOKOSA-N 0 0 334.437 3.211 20 10 EGCDRN Cc1cccc(CO[C@@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000867301619 1330192563 /nfs/dbraw/zinc/19/25/63/1330192563.db2.gz CITCADAMJQUDKC-CABCVRRESA-N 0 0 343.423 3.059 20 10 EGCDRN C[C@H](NS(=O)(=O)CCc1ccc(Cl)cc1)c1ccccc1O ZINC000867836565 1330223365 /nfs/dbraw/zinc/22/33/65/1330223365.db2.gz XURLLVHPEIJCRN-LBPRGKRZSA-N 0 0 339.844 3.269 20 10 EGCDRN COc1ccc(CNC(=O)[C@@H](C)CCc2ccc(F)cc2)c(O)c1 ZINC000867956477 1330233173 /nfs/dbraw/zinc/23/31/73/1330233173.db2.gz SLRZXACISGTAKM-ZDUSSCGKSA-N 0 0 331.387 3.425 20 10 EGCDRN C[C@@H](NC(=O)NC[C@H]1COc2ccccc2C1)c1ccccc1O ZINC000868083865 1330247605 /nfs/dbraw/zinc/24/76/05/1330247605.db2.gz 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CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000284542938 455704205 /nfs/dbraw/zinc/70/42/05/455704205.db2.gz GWIGYKFQKAZZFN-YOEHRIQHSA-N 0 0 335.835 3.443 20 10 EGCDRN COc1ccc(N(Cc2cc(=O)c(OC)co2)[C@@H](C)C2CC2)cc1 ZINC000268522955 455706870 /nfs/dbraw/zinc/70/68/70/455706870.db2.gz GFFRQVRIPXFDKK-ZDUSSCGKSA-N 0 0 329.396 3.462 20 10 EGCDRN CCCc1nc(C)c(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])o1 ZINC000293235190 455779440 /nfs/dbraw/zinc/77/94/40/455779440.db2.gz AZQXGDXGDPGTJG-LLVKDONJSA-N 0 0 332.400 3.279 20 10 EGCDRN Cc1nc(Cl)ccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000194014762 455791564 /nfs/dbraw/zinc/79/15/64/455791564.db2.gz LUBMFQXUEYIKNA-SECBINFHSA-N 0 0 335.791 3.207 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000293762856 455796783 /nfs/dbraw/zinc/79/67/83/455796783.db2.gz RLIIPOMXFBOZNL-CQSZACIVSA-N 0 0 330.403 3.219 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccncc2C)cc1F ZINC000186627643 455808076 /nfs/dbraw/zinc/80/80/76/455808076.db2.gz 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ZINC000269327610 455835811 /nfs/dbraw/zinc/83/58/11/455835811.db2.gz BSKNVEGPAPWXMG-RMKNXTFCSA-N 0 0 326.396 3.474 20 10 EGCDRN COc1cccc(CNC(=O)c2ccc(OC)c(C3CC3)c2)c1O ZINC000278450077 455836332 /nfs/dbraw/zinc/83/63/32/455836332.db2.gz QTTDBLFXMVBFJH-UHFFFAOYSA-N 0 0 327.380 3.217 20 10 EGCDRN COc1c(O)c(CNc2ccc3c(c2)OC(C)(C)O3)ccc1[N+](=O)[O-] ZINC000278492076 455837864 /nfs/dbraw/zinc/83/78/64/455837864.db2.gz LJNGJDZXUSDRQO-UHFFFAOYSA-N 0 0 346.339 3.428 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(=O)[nH]1 ZINC000278509199 455838380 /nfs/dbraw/zinc/83/83/80/455838380.db2.gz BGOHFSGGPQKCBR-UHFFFAOYSA-N 0 0 325.412 3.050 20 10 EGCDRN C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(O)c3O)n2)C1 ZINC000186829543 455841346 /nfs/dbraw/zinc/84/13/46/455841346.db2.gz STWTVBPEJMHDEW-NSHDSACASA-N 0 0 347.440 3.039 20 10 EGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCCCC2(F)F)ccc1[N+](=O)[O-] ZINC000295183609 455841792 /nfs/dbraw/zinc/84/17/92/455841792.db2.gz WFHLKNVNNNXFNH-LLVKDONJSA-N 0 0 330.331 3.224 20 10 EGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)s1 ZINC000295289260 455845627 /nfs/dbraw/zinc/84/56/27/455845627.db2.gz LFVLOYBRAVAJGF-HBNTYKKESA-N 0 0 342.486 3.105 20 10 EGCDRN COC(=O)c1cnc(SCC(=O)NCCC2CCCCC2)s1 ZINC000295361009 455847051 /nfs/dbraw/zinc/84/70/51/455847051.db2.gz RPFVTFNIHRQZKY-UHFFFAOYSA-N 0 0 342.486 3.108 20 10 EGCDRN CCOc1ccc(O)c(C[NH2+]Cc2ccc(OCCCOC)cc2)c1 ZINC000285446330 455847530 /nfs/dbraw/zinc/84/75/30/455847530.db2.gz GBSNHBSTEVZTIB-UHFFFAOYSA-N 0 0 345.439 3.496 20 10 EGCDRN CCc1ncsc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000269550404 455849146 /nfs/dbraw/zinc/84/91/46/455849146.db2.gz PPSWREHGZMJKNG-UHFFFAOYSA-N 0 0 346.456 3.068 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)c2cnc(Cl)cn2)C2CC2)cc1 ZINC000278813792 455849408 /nfs/dbraw/zinc/84/94/08/455849408.db2.gz ZVDBIBZHTAGFQU-UHFFFAOYSA-N 0 0 330.819 3.001 20 10 EGCDRN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000255098689 455859780 /nfs/dbraw/zinc/85/97/80/455859780.db2.gz 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ZINC000262677692 456052360 /nfs/dbraw/zinc/05/23/60/456052360.db2.gz UGWRBQNKAROCMV-INIZCTEOSA-N 0 0 343.402 3.180 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@](F)(CO)C2)c(C)n1-c1cccc(C)c1 ZINC000286727524 456052951 /nfs/dbraw/zinc/05/29/51/456052951.db2.gz HQUZSVAQDSSKFJ-HXUWFJFHSA-N 0 0 344.430 3.339 20 10 EGCDRN Cc1noc(C)c1C(C)(C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287190268 456063624 /nfs/dbraw/zinc/06/36/24/456063624.db2.gz KXEZYKMAYVVLDY-UHFFFAOYSA-N 0 0 348.422 3.231 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N[C@@H](C2CC2)C(F)(F)F)cc1F ZINC000287288884 456065998 /nfs/dbraw/zinc/06/59/98/456065998.db2.gz RXPZAWMAYAKWAL-ZDUSSCGKSA-N 0 0 333.329 3.032 20 10 EGCDRN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000224791820 456069986 /nfs/dbraw/zinc/06/99/86/456069986.db2.gz URYNRZSOXYPLNT-GFCCVEGCSA-N 0 0 326.824 3.145 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCSC1 ZINC000287595939 456073991 /nfs/dbraw/zinc/07/39/91/456073991.db2.gz WLLCSJWTMQIJEQ-MRXNPFEDSA-N 0 0 331.485 3.005 20 10 EGCDRN CC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc(Cl)c1[O-] ZINC000287664556 456074710 /nfs/dbraw/zinc/07/47/10/456074710.db2.gz LVNLVXNORSYOSK-SWLSCSKDSA-N 0 0 341.835 3.008 20 10 EGCDRN CC[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cccc(Cl)c1O ZINC000287768732 456077833 /nfs/dbraw/zinc/07/78/33/456077833.db2.gz RLALXFXJJBPHSX-OAHLLOKOSA-N 0 0 348.834 3.084 20 10 EGCDRN CCN(CC)c1ccc(CNc2nncn2-c2cccnc2)cc1F ZINC000287861952 456080512 /nfs/dbraw/zinc/08/05/12/456080512.db2.gz XXTFHPPVHLRXPX-UHFFFAOYSA-N 0 0 340.406 3.260 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNc1cc(N2CCCCC2)ncn1 ZINC000301302605 456085639 /nfs/dbraw/zinc/08/56/39/456085639.db2.gz SBUIEQOCUDQMTC-UHFFFAOYSA-N 0 0 325.460 3.453 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1C ZINC000272875693 456097601 /nfs/dbraw/zinc/09/76/01/456097601.db2.gz XTWXQXRSTNSESP-IAGOWNOFSA-N 0 0 326.440 3.245 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@]3(C)CCCOC3)ccc21 ZINC000332619188 456099391 /nfs/dbraw/zinc/09/93/91/456099391.db2.gz 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EGCDRN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273411135 456228791 /nfs/dbraw/zinc/22/87/91/456228791.db2.gz PQRCTKTURRWNNE-CABCVRRESA-N 0 0 341.411 3.478 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OC)c(F)c2)c1 ZINC000273415980 456229256 /nfs/dbraw/zinc/22/92/56/456229256.db2.gz QYNBIMCYRKTGHV-NSHDSACASA-N 0 0 333.359 3.177 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c1 ZINC000273554475 456238171 /nfs/dbraw/zinc/23/81/71/456238171.db2.gz GOTRVHMDZKQMSV-OAVHHTNSSA-N 0 0 347.386 3.091 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCCNc2ccccn2)c1 ZINC000273568596 456239737 /nfs/dbraw/zinc/23/97/37/456239737.db2.gz KDDHDPCBCSBKDQ-AWEZNQCLSA-N 0 0 343.427 3.117 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@]2(C)CCCO)cc1 ZINC000274892360 456266982 /nfs/dbraw/zinc/26/69/82/456266982.db2.gz BFPPHCVCXJJFBM-FQEVSTJZSA-N 0 0 347.503 3.369 20 10 EGCDRN C[C@@H](NCc1cc(COC(C)(C)C)on1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274945733 456268409 /nfs/dbraw/zinc/26/84/09/456268409.db2.gz CGKPCRGHBUNTDD-LLVKDONJSA-N 0 0 349.387 3.454 20 10 EGCDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(O)c1O ZINC000275398426 456273946 /nfs/dbraw/zinc/27/39/46/456273946.db2.gz DPLUGPSBSVVASG-MEDUHNTESA-N 0 0 347.798 3.353 20 10 EGCDRN CCC[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000297757718 456288930 /nfs/dbraw/zinc/28/89/30/456288930.db2.gz VLJJMFGIXHYCOC-SFHVURJKSA-N 0 0 333.476 3.242 20 10 EGCDRN CCOC(C)(C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000275770695 456308762 /nfs/dbraw/zinc/30/87/62/456308762.db2.gz LUAQYGBADZNBCJ-UHFFFAOYSA-N 0 0 333.476 3.242 20 10 EGCDRN CCc1nn(C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275808558 456320429 /nfs/dbraw/zinc/32/04/29/456320429.db2.gz UTQCQDLACOZPMB-UHFFFAOYSA-N 0 0 343.475 3.491 20 10 EGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cncs2)cc1 ZINC000298170924 456380216 /nfs/dbraw/zinc/38/02/16/456380216.db2.gz RUBONKKWMAPNHS-INIZCTEOSA-N 0 0 345.468 3.031 20 10 EGCDRN 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330.432 3.052 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCCc2csc(C)n2)cc1 ZINC000298951660 456575457 /nfs/dbraw/zinc/57/54/57/456575457.db2.gz CITSLOHOSDKSFE-UHFFFAOYSA-N 0 0 346.500 3.340 20 10 EGCDRN Cc1ccc(O)c(CNc2ccc(C(N)=O)c(N3CCCCC3)c2)c1 ZINC000282830284 456636981 /nfs/dbraw/zinc/63/69/81/456636981.db2.gz BSPSTSAIHFRXKV-UHFFFAOYSA-N 0 0 339.439 3.402 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)OC(C)(C)C ZINC000299309580 456654522 /nfs/dbraw/zinc/65/45/22/456654522.db2.gz DWIPQCHORNJLKQ-UHFFFAOYSA-N 0 0 349.475 3.014 20 10 EGCDRN CCCC[C@@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000282964309 456675992 /nfs/dbraw/zinc/67/59/92/456675992.db2.gz ZWTMIWRHPOXJOO-MRXNPFEDSA-N 0 0 332.488 3.338 20 10 EGCDRN O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000282992748 456684178 /nfs/dbraw/zinc/68/41/78/456684178.db2.gz KDAZJLGKCMOAQE-OAHLLOKOSA-N 0 0 345.830 3.442 20 10 EGCDRN Cc1noc(C(C)C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000277136967 456694782 /nfs/dbraw/zinc/69/47/82/456694782.db2.gz 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CCOc1cccc(CNc2cccc([C@@]3(C)COC(=O)N3)c2)c1O ZINC000883326759 1302392677 /nfs/dbraw/zinc/39/26/77/1302392677.db2.gz KEVMOHJIXHDEOD-LJQANCHMSA-N 0 0 342.395 3.358 20 10 EGCDRN COc1ccc(NC(=O)CN2CCCCc3cc(OC)ccc32)cc1 ZINC000766269671 1302418660 /nfs/dbraw/zinc/41/86/60/1302418660.db2.gz NBOUFQVKCOWURE-UHFFFAOYSA-N 0 0 340.423 3.485 20 10 EGCDRN CCN(CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(OC)cc1 ZINC000766863785 1302533307 /nfs/dbraw/zinc/53/33/07/1302533307.db2.gz GEPIDWYFPUKYOY-UHFFFAOYSA-N 0 0 348.472 3.309 20 10 EGCDRN C=C/C=C/CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000883824979 1302614567 /nfs/dbraw/zinc/61/45/67/1302614567.db2.gz CNFVULWZNZKPJE-SNAWJCMRSA-N 0 0 329.444 3.049 20 10 EGCDRN COC(=O)c1oc([C@@H](C)OC(=O)c2ccc(C)c(O)c2O)cc1C ZINC000767316673 1302636356 /nfs/dbraw/zinc/63/63/56/1302636356.db2.gz GMEXHWDLQHYTJU-SNVBAGLBSA-N 0 0 334.324 3.012 20 10 EGCDRN CC[N@H+](CCC(=O)C1CC1)Cc1cc(Br)ccc1O ZINC000767411487 1302663745 /nfs/dbraw/zinc/66/37/45/1302663745.db2.gz JLQCYPAYOSBPOA-UHFFFAOYSA-N 0 0 326.234 3.346 20 10 EGCDRN CC(C)(C)Oc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000767418584 1302668504 /nfs/dbraw/zinc/66/85/04/1302668504.db2.gz YIDPUFXTTQHDRZ-UHFFFAOYSA-N 0 0 331.372 3.163 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1[O-] ZINC000767728276 1302752230 /nfs/dbraw/zinc/75/22/30/1302752230.db2.gz OQGFQYIEHBPIFZ-AWEZNQCLSA-N 0 0 348.786 3.307 20 10 EGCDRN CCN(Cc1cc(C)n(C)n1)Cc1cc(Br)ccc1O ZINC000767901123 1302781691 /nfs/dbraw/zinc/78/16/91/1302781691.db2.gz UEGHVBAGZMIMLS-UHFFFAOYSA-N 0 0 338.249 3.219 20 10 EGCDRN COc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)nc1Cl ZINC000768291210 1302873614 /nfs/dbraw/zinc/87/36/14/1302873614.db2.gz BUKNXENEKWJJJV-UHFFFAOYSA-N 0 0 346.814 3.258 20 10 EGCDRN CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1(C)C ZINC000768464453 1302910844 /nfs/dbraw/zinc/91/08/44/1302910844.db2.gz RVIPWMDWDFWFQZ-QXAKKESOSA-N 0 0 349.471 3.234 20 10 EGCDRN CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)C1=CC(=O)CS1 ZINC000768697964 1302963394 /nfs/dbraw/zinc/96/33/94/1302963394.db2.gz NCNQZNWBBOKLGG-ZDUSSCGKSA-N 0 0 326.320 3.089 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000768841222 1302992986 /nfs/dbraw/zinc/99/29/86/1302992986.db2.gz IKAAWPPAXQRGJF-SNVBAGLBSA-N 0 0 330.211 3.233 20 10 EGCDRN Oc1cc2c(cc1CN(Cc1cc[nH]n1)Cc1ccccc1)OCO2 ZINC000769328660 1303094078 /nfs/dbraw/zinc/09/40/78/1303094078.db2.gz RVTUIQKFXHYMGH-UHFFFAOYSA-N 0 0 337.379 3.046 20 10 EGCDRN O=C(CSCC(=O)c1ccc(Cl)cc1)NCc1ccccc1O ZINC000769360000 1303099232 /nfs/dbraw/zinc/09/92/32/1303099232.db2.gz WINLIWLVDURVGM-UHFFFAOYSA-N 0 0 349.839 3.278 20 10 EGCDRN CCN(CC)c1ccc(CN2CCO[C@@H](C(F)(F)F)C2)cc1F ZINC000769466190 1303117876 /nfs/dbraw/zinc/11/78/76/1303117876.db2.gz KMPNKTAYVOXTFI-OAHLLOKOSA-N 0 0 334.357 3.435 20 10 EGCDRN FC(F)(F)[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769467054 1303118173 /nfs/dbraw/zinc/11/81/73/1303118173.db2.gz ROSRQYXOEYCLFJ-MRXNPFEDSA-N 0 0 328.378 3.440 20 10 EGCDRN COc1cccc(O)c1CN(C)Cc1cc(Br)cn1C ZINC000770321422 1303247818 /nfs/dbraw/zinc/24/78/18/1303247818.db2.gz GPINIUPSGMNDOE-UHFFFAOYSA-N 0 0 339.233 3.134 20 10 EGCDRN CCOc1ccc(CNc2cc(NC(C)=O)ccc2OC)c(O)c1 ZINC000770403077 1303262401 /nfs/dbraw/zinc/26/24/01/1303262401.db2.gz SODIPRAPZQTUJW-UHFFFAOYSA-N 0 0 330.384 3.370 20 10 EGCDRN Cc1ccc(C(=O)Nc2ccccc2NC(=O)NC(C)C)c(O)c1O ZINC000770478289 1303274456 /nfs/dbraw/zinc/27/44/56/1303274456.db2.gz WNZTUXBDADVOBR-UHFFFAOYSA-N 0 0 343.383 3.188 20 10 EGCDRN Cc1ccc([C@H](O)CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000770583350 1303288533 /nfs/dbraw/zinc/28/85/33/1303288533.db2.gz NKAFOQOYYQFKJI-HNAYVOBHSA-N 0 0 341.455 3.155 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)OCCc3cn[nH]c3)c2C)cc1 ZINC000770766723 1303315855 /nfs/dbraw/zinc/31/58/55/1303315855.db2.gz WERSVHDWUHJMDO-UHFFFAOYSA-N 0 0 339.395 3.225 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCC1(C)C ZINC000771894144 1303455912 /nfs/dbraw/zinc/45/59/12/1303455912.db2.gz UKXQTTCGEBYKLR-GOSISDBHSA-N 0 0 330.472 3.308 20 10 EGCDRN COc1cccc([C@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)N(C)C)c1 ZINC000886487596 1303474551 /nfs/dbraw/zinc/47/45/51/1303474551.db2.gz KRYLEYQEJYSGAM-GUYCJALGSA-N 0 0 332.419 3.493 20 10 EGCDRN COc1cccc([C@@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)N(C)C)c1 ZINC000886487597 1303475220 /nfs/dbraw/zinc/47/52/20/1303475220.db2.gz KRYLEYQEJYSGAM-SUMWQHHRSA-N 0 0 332.419 3.493 20 10 EGCDRN C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1c([O-])cccc1F ZINC000886495092 1303476458 /nfs/dbraw/zinc/47/64/58/1303476458.db2.gz HRGOPCJVYNPXAP-MAUKXSAKSA-N 0 0 344.430 3.255 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1c([O-])cccc1F ZINC000886503908 1303479288 /nfs/dbraw/zinc/47/92/88/1303479288.db2.gz JZUXMKINDYCJTP-ZIAGYGMSSA-N 0 0 345.418 3.002 20 10 EGCDRN CCOC(=O)c1csc(CC[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886596283 1303517093 /nfs/dbraw/zinc/51/70/93/1303517093.db2.gz ATIJELIFFHRNPF-SNVBAGLBSA-N 0 0 338.404 3.058 20 10 EGCDRN Cc1cc(C[NH2+][C@H](C)c2c([O-])cccc2F)nc(N2CCCC2)n1 ZINC000886613880 1303524832 /nfs/dbraw/zinc/52/48/32/1303524832.db2.gz HMTLPQBTFFZVDS-CYBMUJFWSA-N 0 0 330.407 3.081 20 10 EGCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(=O)NCc1cccs1 ZINC000886630045 1303531861 /nfs/dbraw/zinc/53/18/61/1303531861.db2.gz UDXUTKGFSFALDW-FZMZJTMJSA-N 0 0 336.432 3.338 20 10 EGCDRN C[C@@H](N[C@H](CCO)C(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000886803266 1303603420 /nfs/dbraw/zinc/60/34/20/1303603420.db2.gz GSQHTFCSNSPJHJ-GMSGAONNSA-N 0 0 331.256 3.375 20 10 EGCDRN C[C@H](NC(=O)c1ccncc1Br)c1ccc(N(C)C)cc1 ZINC000772998822 1303603606 /nfs/dbraw/zinc/60/36/06/1303603606.db2.gz KPYVQYFMPJMCRR-NSHDSACASA-N 0 0 348.244 3.401 20 10 EGCDRN C[C@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(N(C)C)cc1 ZINC000773011193 1303606849 /nfs/dbraw/zinc/60/68/49/1303606849.db2.gz RAWFGHNCVXNEAP-ZDUSSCGKSA-N 0 0 336.391 3.350 20 10 EGCDRN Cc1nc2ccccc2n1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773016252 1303608207 /nfs/dbraw/zinc/60/82/07/1303608207.db2.gz RZAWQAQPJPMGMA-CQSZACIVSA-N 0 0 336.439 3.288 20 10 EGCDRN Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773082757 1303621346 /nfs/dbraw/zinc/62/13/46/1303621346.db2.gz ACXTUOJBOUNEOR-ZDUSSCGKSA-N 0 0 336.432 3.240 20 10 EGCDRN COCc1ccccc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773168112 1303635920 /nfs/dbraw/zinc/63/59/20/1303635920.db2.gz ZTKRXEBAVXELFO-HNNXBMFYSA-N 0 0 341.455 3.459 20 10 EGCDRN C[C@@H](NC(=O)NC[C@@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000773212296 1303644697 /nfs/dbraw/zinc/64/46/97/1303644697.db2.gz PMZSOBNTQHETPX-PWSUYJOCSA-N 0 0 330.259 3.307 20 10 EGCDRN C[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000773386543 1303672174 /nfs/dbraw/zinc/67/21/74/1303672174.db2.gz KCTCKGHTYXERMJ-OKDNKWQNSA-N 0 0 331.460 3.070 20 10 EGCDRN C[C@H](NC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000773454738 1303685115 /nfs/dbraw/zinc/68/51/15/1303685115.db2.gz JJWYSQQYQQOFTC-BOUXLOLZSA-N 0 0 345.487 3.318 20 10 EGCDRN Cc1ccccc1[C@@H](CO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773615251 1303715014 /nfs/dbraw/zinc/71/50/14/1303715014.db2.gz CGHPJAFOADVUGA-DNVCBOLYSA-N 0 0 341.455 3.155 20 10 EGCDRN CCC(=O)c1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773767061 1303737620 /nfs/dbraw/zinc/73/76/20/1303737620.db2.gz ISMNGEZHSHZIKE-GFCCVEGCSA-N 0 0 327.380 3.052 20 10 EGCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000773844085 1303745461 /nfs/dbraw/zinc/74/54/61/1303745461.db2.gz BSNZLBFATXDUFF-GFCCVEGCSA-N 0 0 345.830 3.222 20 10 EGCDRN COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000773994809 1303763360 /nfs/dbraw/zinc/76/33/60/1303763360.db2.gz OUIFTEOJSZCZBR-GFCCVEGCSA-N 0 0 343.383 3.160 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](CC)N1CCO[C@H](CC)C1 ZINC000774042381 1303767374 /nfs/dbraw/zinc/76/73/74/1303767374.db2.gz BULWSZWSLYBIAN-QZTJIDSGSA-N 0 0 348.487 3.020 20 10 EGCDRN C[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cc(Cl)c(Cl)cc1O ZINC000774379860 1303804506 /nfs/dbraw/zinc/80/45/06/1303804506.db2.gz GPPKAVYWDSFMEH-SFYZADRCSA-N 0 0 342.230 3.432 20 10 EGCDRN COC(=O)[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000774486807 1303816710 /nfs/dbraw/zinc/81/67/10/1303816710.db2.gz XWYWCZPTSSVGPZ-FZKQIMNGSA-N 0 0 330.403 3.457 20 10 EGCDRN Cc1sc([C@H]2CCCO2)nc1-c1cn(-c2ccc(N)cc2)nn1 ZINC000887504409 1303825766 /nfs/dbraw/zinc/82/57/66/1303825766.db2.gz WZONQOFROYZGFX-CQSZACIVSA-N 0 0 327.413 3.133 20 10 EGCDRN CCCCC[C@@H](C)NC(=O)CN1CCOc2cc(N(C)C)ccc21 ZINC000774752682 1303855428 /nfs/dbraw/zinc/85/54/28/1303855428.db2.gz KCZRBTGOWSPQBE-OAHLLOKOSA-N 0 0 333.476 3.036 20 10 EGCDRN COC(=O)c1ccc([C@H](C)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000774750172 1303855452 /nfs/dbraw/zinc/85/54/52/1303855452.db2.gz AWLUBHDSCOHRGQ-LBPRGKRZSA-N 0 0 330.384 3.092 20 10 EGCDRN COc1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1[N+](=O)[O-] ZINC000774753804 1303855960 /nfs/dbraw/zinc/85/59/60/1303855960.db2.gz PLUZVPVEDAHZRN-UHFFFAOYSA-N 0 0 343.383 3.068 20 10 EGCDRN COc1c(O)c(C[N@@H+]2CC[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000774904209 1303875661 /nfs/dbraw/zinc/87/56/61/1303875661.db2.gz QCOBAXFBBCDFTN-OAHLLOKOSA-N 0 0 328.368 3.126 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@H](C)COc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000774987913 1303886208 /nfs/dbraw/zinc/88/62/08/1303886208.db2.gz DAAVZXDKSMYGIJ-CYBMUJFWSA-N 0 0 346.383 3.175 20 10 EGCDRN COc1c([O-])c(C[NH2+]CCc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000775027451 1303890358 /nfs/dbraw/zinc/89/03/58/1303890358.db2.gz FSMMZGQCKQJVBT-UHFFFAOYSA-N 0 0 342.351 3.388 20 10 EGCDRN COc1c([O-])c(C[NH2+]CC2(C)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000775034476 1303892074 /nfs/dbraw/zinc/89/20/74/1303892074.db2.gz SMZXZAJMBQJXCW-UHFFFAOYSA-N 0 0 342.395 3.204 20 10 EGCDRN COc1c([O-])c(C[NH2+]C[C@@H](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000775030073 1303892189 /nfs/dbraw/zinc/89/21/89/1303892189.db2.gz QKYDDCCLIWTVBS-NSHDSACASA-N 0 0 336.413 3.339 20 10 EGCDRN COC(=O)c1cc(NCc2ccc([N+](=O)[O-])c(OC)c2O)ccc1C ZINC000775055455 1303895908 /nfs/dbraw/zinc/89/59/08/1303895908.db2.gz DVCNTUYLZHAFFF-UHFFFAOYSA-N 0 0 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Cc1cc(C(=O)Nc2c3nonc3ccc2Cl)ccc1[N+](=O)[O-] ZINC001320946764 1386766091 /nfs/dbraw/zinc/76/60/91/1386766091.db2.gz MDNUUAXDQYCABN-UHFFFAOYSA-N 0 0 332.703 3.345 20 10 EGCDRN CO[C@H](C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001181578274 1387019264 /nfs/dbraw/zinc/01/92/64/1387019264.db2.gz UQEFQDNWVCKFER-GFCCVEGCSA-N 0 0 342.399 3.276 20 10 EGCDRN Cc1cc(C)c(CNC(=O)[C@H](C)Cc2ccc3c(c2)OCO3)c(O)c1 ZINC001182409647 1387161978 /nfs/dbraw/zinc/16/19/78/1387161978.db2.gz AGQPRLHRSGTPMT-CQSZACIVSA-N 0 0 341.407 3.233 20 10 EGCDRN CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)NCc1ccccc1O ZINC001182699241 1387209445 /nfs/dbraw/zinc/20/94/45/1387209445.db2.gz CBWVZVBDIHXOEK-OAHLLOKOSA-N 0 0 348.443 3.188 20 10 EGCDRN C[C@@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1O ZINC001329836586 1389233690 /nfs/dbraw/zinc/23/36/90/1389233690.db2.gz MFGPKHATFNQQFM-CYBMUJFWSA-N 0 0 348.406 3.341 20 10 EGCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001338748439 1389750991 /nfs/dbraw/zinc/75/09/91/1389750991.db2.gz CAOMWADQICTXCW-AWEZNQCLSA-N 0 0 340.452 3.318 20 10 EGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC001333150189 1390256685 /nfs/dbraw/zinc/25/66/85/1390256685.db2.gz VHVINYGNVBNNSD-HZMBPMFUSA-N 0 0 339.304 3.244 20 10 EGCDRN COCCN(Cc1ccc(C)cc1C)C(=O)Cc1ccc(N)cc1 ZINC001333312696 1390281900 /nfs/dbraw/zinc/28/19/00/1390281900.db2.gz XYIULGSDKLYCKW-UHFFFAOYSA-N 0 0 326.440 3.103 20 10 EGCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CC[C@@H](CF)C2)c1[O-] ZINC001333314772 1390282376 /nfs/dbraw/zinc/28/23/76/1390282376.db2.gz WHFKECILGFECGU-ZDUSSCGKSA-N 0 0 329.371 3.120 20 10 EGCDRN CCCCC[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1CC ZINC001341028687 1390428222 /nfs/dbraw/zinc/42/82/22/1390428222.db2.gz DQFOXKGTQKZDIW-MRXNPFEDSA-N 0 0 332.448 3.254 20 10 EGCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(Cl)cn3)CC2)cc1 ZINC001341406729 1390483045 /nfs/dbraw/zinc/48/30/45/1390483045.db2.gz LGAVKYMBVGLUAC-UHFFFAOYSA-N 0 0 345.830 3.096 20 10 EGCDRN Nc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001335286410 1390666684 /nfs/dbraw/zinc/66/66/84/1390666684.db2.gz YSLBTIINEULESO-UHFFFAOYSA-N 0 0 327.384 3.220 20 10 EGCDRN Cc1ccc(CO[C@@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001335401699 1390679885 /nfs/dbraw/zinc/67/98/85/1390679885.db2.gz MGDIYZOFXNYCRG-HNNXBMFYSA-N 0 0 344.430 3.422 20 10 EGCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCn2cccc2C1 ZINC001343027891 1390685563 /nfs/dbraw/zinc/68/55/63/1390685563.db2.gz VDHXBMRKOFVQRS-UHFFFAOYSA-N 0 0 343.456 3.190 20 10 EGCDRN Nc1ccc(CNC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC001335506549 1390695222 /nfs/dbraw/zinc/69/52/22/1390695222.db2.gz ZUFLVPYMTBYQEH-APWZRJJASA-N 0 0 339.439 3.236 20 10 EGCDRN O=C1C=CSC1c1nnc(N2CCCCC2)n1C[C@H]1CCCCO1 ZINC001344250800 1390777751 /nfs/dbraw/zinc/77/77/51/1390777751.db2.gz AAOOTYJDDAENHF-CYBMUJFWSA-N 0 0 348.472 3.272 20 10 EGCDRN COCCCCN(C)c1nnc(C2SC=CC2=O)n1CC(C)C ZINC001344502400 1390795665 /nfs/dbraw/zinc/79/56/65/1390795665.db2.gz KEHAWCHAFPSZDG-UHFFFAOYSA-N 0 0 338.477 3.231 20 10 EGCDRN CC(C)(C)OC(=O)CCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001346093924 1390906803 /nfs/dbraw/zinc/90/68/03/1390906803.db2.gz LXQBFMQILIHGSR-UHFFFAOYSA-N 0 0 346.471 3.415 20 10 EGCDRN COC[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC001346452985 1390941053 /nfs/dbraw/zinc/94/10/53/1390941053.db2.gz FOFLVQZSDCELDI-HNNXBMFYSA-N 0 0 347.846 3.152 20 10 EGCDRN CCOc1ccc(N2CCN(C(=O)c3cnoc3C(C)C)CC2)cc1 ZINC001346462784 1390942258 /nfs/dbraw/zinc/94/22/58/1390942258.db2.gz PVLCNRHCSZNRGB-UHFFFAOYSA-N 0 0 343.427 3.159 20 10 EGCDRN CCCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)n1 ZINC001346559432 1390954541 /nfs/dbraw/zinc/95/45/41/1390954541.db2.gz COTVINKSMGVZFM-UHFFFAOYSA-N 0 0 340.471 3.472 20 10 EGCDRN COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N)cc2)cc1F ZINC001346739721 1390976609 /nfs/dbraw/zinc/97/66/09/1390976609.db2.gz UASKCLLOCVYOQG-QGZVFWFLSA-N 0 0 343.402 3.463 20 10 EGCDRN O=C(CSC[C@@H]1CCCCO1)Nc1c2nonc2ccc1Cl ZINC001346939739 1390987747 /nfs/dbraw/zinc/98/77/47/1390987747.db2.gz ADBQNNDAZRFSDQ-VIFPVBQESA-N 0 0 341.820 3.117 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC1CCCC1 ZINC001348299440 1391201880 /nfs/dbraw/zinc/20/18/80/1391201880.db2.gz LNPMAFPBDMSKQA-UHFFFAOYSA-N 0 0 346.471 3.170 20 10 EGCDRN Cc1ccc(CO[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001349103839 1391302640 /nfs/dbraw/zinc/30/26/40/1391302640.db2.gz PEMYGTJPCCUPAL-MRXNPFEDSA-N 0 0 326.440 3.283 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)OC)cn1 ZINC001352949778 1391891505 /nfs/dbraw/zinc/89/15/05/1391891505.db2.gz NYQMRMZBPNZQIG-UHFFFAOYSA-N 0 0 343.383 3.018 20 10 EGCDRN Nc1ccc(CNC(=O)N2CCC[C@H]2COc2ccc(F)cc2)cc1 ZINC001353532219 1392033980 /nfs/dbraw/zinc/03/39/80/1392033980.db2.gz WLFYPTRLPASANN-KRWDZBQOSA-N 0 0 343.402 3.161 20 10 EGCDRN COc1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1C ZINC000826202635 1430159725 /nfs/dbraw/zinc/15/97/25/1430159725.db2.gz GVWHTZBKOCMORE-GOSISDBHSA-N 0 0 349.438 3.351 20 10 EGCDRN C[C@](CCF)([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(=O)[O-] ZINC001592507415 978326313 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C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Cc1ccc(N)cc1 ZINC000237537927 455193232 /nfs/dbraw/zinc/19/32/32/455193232.db2.gz FCUMRXXFZOOONU-ACJLOTCBSA-N 0 0 344.842 3.453 20 10 EGCDRN Cc1nccn1-c1ncccc1NCc1ccc(N2CCOCC2)cc1 ZINC000237641060 455201731 /nfs/dbraw/zinc/20/17/31/455201731.db2.gz RCCXALZXGXDPTC-UHFFFAOYSA-N 0 0 349.438 3.024 20 10 EGCDRN C[C@H]1CCCN(Cc2csc(NC(=O)Cc3ccc(N)cc3)n2)C1 ZINC000237677094 455206813 /nfs/dbraw/zinc/20/68/13/455206813.db2.gz QACQSOAWILBCHW-ZDUSSCGKSA-N 0 0 344.484 3.138 20 10 EGCDRN Cc1cccc(OCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000183457342 455294367 /nfs/dbraw/zinc/29/43/67/455294367.db2.gz GLYMLCACNHSAMA-AWEZNQCLSA-N 0 0 343.423 3.231 20 10 EGCDRN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183490089 455299416 /nfs/dbraw/zinc/29/94/16/455299416.db2.gz LQJQJCAWLDICKA-SJCJKPOMSA-N 0 0 347.386 3.142 20 10 EGCDRN O=C(CSc1ccncc1)NCc1c(O)ccc2c1CCCC2 ZINC000174512307 455398968 /nfs/dbraw/zinc/39/89/68/455398968.db2.gz WAADTDASFDNGED-UHFFFAOYSA-N 0 0 328.437 3.075 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000174676173 455410989 /nfs/dbraw/zinc/41/09/89/455410989.db2.gz OXBDJSSPUFGARS-UHFFFAOYSA-N 0 0 341.411 3.196 20 10 EGCDRN COc1cccc(CNC(=O)NCC(C)(C)c2ccc(F)cc2)c1O ZINC000174699881 455412111 /nfs/dbraw/zinc/41/21/11/455412111.db2.gz CWSSZFWAQQBDFB-UHFFFAOYSA-N 0 0 346.402 3.317 20 10 EGCDRN COC[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000265952463 455413721 /nfs/dbraw/zinc/41/37/21/455413721.db2.gz DWLCGWGSHSSALF-MRXNPFEDSA-N 0 0 342.439 3.211 20 10 EGCDRN O=C(NCc1ccccc1O)Nc1ccc(N2CCSCC2)cc1 ZINC000266369620 455427596 /nfs/dbraw/zinc/42/75/96/455427596.db2.gz GAMZGIKPNDYAGA-UHFFFAOYSA-N 0 0 343.452 3.267 20 10 EGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000191365280 455479901 /nfs/dbraw/zinc/47/99/01/455479901.db2.gz VPPKSDKIGLXJQX-MEBBXXQBSA-N 0 0 331.840 3.329 20 10 EGCDRN C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185029134 455487353 /nfs/dbraw/zinc/48/73/53/455487353.db2.gz PZBVYYTVILGTMJ-GHMZBOCLSA-N 0 0 333.259 3.070 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185110418 455503005 /nfs/dbraw/zinc/50/30/05/455503005.db2.gz AOSRHHBGCRYKEA-VHSXEESVSA-N 0 0 331.243 3.361 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCCOC ZINC000175843760 455505192 /nfs/dbraw/zinc/50/51/92/455505192.db2.gz WTGRCMOKDVJBKZ-UHFFFAOYSA-N 0 0 344.249 3.320 20 10 EGCDRN CCS[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1 ZINC000175872087 455508543 /nfs/dbraw/zinc/50/85/43/455508543.db2.gz DQHCIBAZOAAZNO-ZIAGYGMSSA-N 0 0 338.473 3.264 20 10 EGCDRN C[C@H](CN(C)C(=O)NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000182474357 455520846 /nfs/dbraw/zinc/52/08/46/455520846.db2.gz KUHDPXDQSGGSSP-CYBMUJFWSA-N 0 0 332.473 3.154 20 10 EGCDRN Cc1ccc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c(O)c1O ZINC000182530660 455534142 /nfs/dbraw/zinc/53/41/42/455534142.db2.gz ATYPHCSDKUOGAS-NSHDSACASA-N 0 0 345.399 3.328 20 10 EGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCS1 ZINC000192252575 455582190 /nfs/dbraw/zinc/58/21/90/455582190.db2.gz ILTDDCVLYJOPFB-OAHLLOKOSA-N 0 0 331.485 3.100 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000271335332 455602179 /nfs/dbraw/zinc/60/21/79/455602179.db2.gz BEKRBJAXWRUAAY-HKUYNNGSSA-N 0 0 347.503 3.488 20 10 EGCDRN COc1cccc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1OC ZINC000292255339 455609827 /nfs/dbraw/zinc/60/98/27/455609827.db2.gz FBHCUXGRWUTSSP-LCYFTJDESA-N 0 0 335.450 3.458 20 10 EGCDRN CCN(Cc1nncn1-c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000277815343 455675819 /nfs/dbraw/zinc/67/58/19/455675819.db2.gz VDXLSIRPLWWMGM-UHFFFAOYSA-N 0 0 338.411 3.311 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000186195569 455714505 /nfs/dbraw/zinc/71/45/05/455714505.db2.gz OCUASCBSOQCXIN-KSSFIOAISA-N 0 0 342.414 3.373 20 10 EGCDRN COC1(C)CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000271668189 455717296 /nfs/dbraw/zinc/71/72/96/455717296.db2.gz LYVAVYFYDVIOAB-UHFFFAOYSA-N 0 0 327.428 3.130 20 10 EGCDRN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000192963572 455727862 /nfs/dbraw/zinc/72/78/62/455727862.db2.gz XAASVTFQFWXZGR-ZJUUUORDSA-N 0 0 331.243 3.361 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193013397 455734356 /nfs/dbraw/zinc/73/43/56/455734356.db2.gz NJYLPSHTSVUESB-RKDXNWHRSA-N 0 0 329.227 3.113 20 10 EGCDRN CC(C)Oc1cc(CN(C(=O)c2cccc(O)c2O)C2CC2)ccn1 ZINC000193146713 455744523 /nfs/dbraw/zinc/74/45/23/455744523.db2.gz ZWGDKCKJPRINCV-UHFFFAOYSA-N 0 0 342.395 3.085 20 10 EGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCOCC3)nc2C)c1 ZINC000186489212 455780403 /nfs/dbraw/zinc/78/04/03/455780403.db2.gz BAOGFHPHTSFFHB-AWEZNQCLSA-N 0 0 327.428 3.414 20 10 EGCDRN Cc1cccnc1C(F)(F)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000193934932 455787268 /nfs/dbraw/zinc/78/72/68/455787268.db2.gz WFWCNGQCMSMJRU-UHFFFAOYSA-N 0 0 333.382 3.206 20 10 EGCDRN COc1cccc(CNC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)c1O ZINC000293609691 455792439 /nfs/dbraw/zinc/79/24/39/455792439.db2.gz FEEYPDRIEVLDDW-GTNSWQLSSA-N 0 0 347.436 3.029 20 10 EGCDRN COC(=O)CCN(C(=O)/C=C/c1scnc1C)c1cccc(F)c1 ZINC000186571744 455795565 /nfs/dbraw/zinc/79/55/65/455795565.db2.gz UNKRFNYTXILCHS-VOTSOKGWSA-N 0 0 348.399 3.200 20 10 EGCDRN CC[C@@H](Nc1cccc(OCC(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000271936635 455799684 /nfs/dbraw/zinc/79/96/84/455799684.db2.gz KHSALJCENUEKHZ-GOSISDBHSA-N 0 0 327.428 3.180 20 10 EGCDRN CC(C)C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000271964995 455807365 /nfs/dbraw/zinc/80/73/65/455807365.db2.gz MANCQIHEGZXSOH-FUHWJXTLSA-N 0 0 333.476 3.146 20 10 EGCDRN CCSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278307246 455812502 /nfs/dbraw/zinc/81/25/02/455812502.db2.gz WKFSFKDICMHXKN-LLVKDONJSA-N 0 0 328.434 3.273 20 10 EGCDRN CC(=O)c1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1C ZINC000194232460 455818326 /nfs/dbraw/zinc/81/83/26/455818326.db2.gz ASAZRKPWMKLCNW-UHFFFAOYSA-N 0 0 338.407 3.303 20 10 EGCDRN COc1nccc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000294587113 455820235 /nfs/dbraw/zinc/82/02/35/455820235.db2.gz RHYZXOSEJYFHTF-UHFFFAOYSA-N 0 0 326.444 3.108 20 10 EGCDRN CCOc1cc(C(=O)N(C)C)ccc1NCc1cc(C)ccc1O ZINC000285333463 455826857 /nfs/dbraw/zinc/82/68/57/455826857.db2.gz XTSSNDMCUKQLOA-UHFFFAOYSA-N 0 0 328.412 3.413 20 10 EGCDRN CCN(CC)c1ccc(CN[C@@H](c2nccn2C)C(C)(C)CO)cc1 ZINC000294964907 455834381 /nfs/dbraw/zinc/83/43/81/455834381.db2.gz FGLBGQNEDPDGQB-SFHVURJKSA-N 0 0 344.503 3.116 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](Cc1ccccc1)OC ZINC000295304412 455844985 /nfs/dbraw/zinc/84/49/85/455844985.db2.gz RJOLPWZXNBLUNG-IBGZPJMESA-N 0 0 327.424 3.389 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C(C)(C)C)s1 ZINC000269402202 455847640 /nfs/dbraw/zinc/84/76/40/455847640.db2.gz XLKYSNXAHBBKHC-UHFFFAOYSA-N 0 0 346.500 3.309 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@H](C)COc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278928134 455853786 /nfs/dbraw/zinc/85/37/86/455853786.db2.gz VVVLJGBREMGKOS-CYBMUJFWSA-N 0 0 346.383 3.175 20 10 EGCDRN Cn1cnc2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc21 ZINC000269949623 455854592 /nfs/dbraw/zinc/85/45/92/455854592.db2.gz XITWZKNAGUQCBQ-UHFFFAOYSA-N 0 0 334.423 3.104 20 10 EGCDRN Oc1cc2c(cc1CN(CCC(F)(F)F)CC(F)(F)F)OCO2 ZINC000279782056 455873630 /nfs/dbraw/zinc/87/36/30/455873630.db2.gz NRSMAZFFXYVDCY-UHFFFAOYSA-N 0 0 345.239 3.438 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000279869457 455876041 /nfs/dbraw/zinc/87/60/41/455876041.db2.gz JLZUZMHLUHLYIB-WBVHZDCISA-N 0 0 330.472 3.495 20 10 EGCDRN CCC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCOCC1 ZINC000272358329 455924104 /nfs/dbraw/zinc/92/41/04/455924104.db2.gz PULSHPUXGWZQCZ-UHFFFAOYSA-N 0 0 330.472 3.450 20 10 EGCDRN C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(F)c(F)c1[O-] ZINC000187795662 455953396 /nfs/dbraw/zinc/95/33/96/455953396.db2.gz ZYSVCEOWDIASJZ-SECBINFHSA-N 0 0 328.746 3.448 20 10 EGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000187807991 455956208 /nfs/dbraw/zinc/95/62/08/455956208.db2.gz CXDDVQSRHYIGKN-QGHHPUGFSA-N 0 0 325.330 3.368 20 10 EGCDRN C[C@H](CO)CCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000270559059 455982709 /nfs/dbraw/zinc/98/27/09/455982709.db2.gz SPUHXVRSSBWQOM-KRWDZBQOSA-N 0 0 347.503 3.227 20 10 EGCDRN CCSc1cc(CNC(=O)N(C)Cc2ccccc2O)ccn1 ZINC000188110764 455999528 /nfs/dbraw/zinc/99/95/28/455999528.db2.gz HIFSWEYQASXEMV-UHFFFAOYSA-N 0 0 331.441 3.241 20 10 EGCDRN C[C@H]1CC(=O)CC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270648982 456004175 /nfs/dbraw/zinc/00/41/75/456004175.db2.gz AZZZSQCAOFZJPP-IFXJQAMLSA-N 0 0 328.456 3.249 20 10 EGCDRN Cc1cccnc1CCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000296723136 456020423 /nfs/dbraw/zinc/02/04/23/456020423.db2.gz LYUGQDTWBNQNMG-UHFFFAOYSA-N 0 0 340.471 3.230 20 10 EGCDRN COc1ccccc1[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272666822 456032430 /nfs/dbraw/zinc/03/24/30/456032430.db2.gz POQGJEOPRQBCMT-LOWQCSRCSA-N 0 0 339.391 3.136 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)CSc2ccccc2O)cc1 ZINC000270819836 456046410 /nfs/dbraw/zinc/04/64/10/456046410.db2.gz RIHPHGFDXWQCRL-UHFFFAOYSA-N 0 0 330.453 3.209 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287013073 456059806 /nfs/dbraw/zinc/05/98/06/456059806.db2.gz DSMCSCGIAQTCKC-UHFFFAOYSA-N 0 0 346.471 3.273 20 10 EGCDRN C[C@H]1C(=O)CC[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000280836696 456062986 /nfs/dbraw/zinc/06/29/86/456062986.db2.gz KHBKAVKSWLYGGU-ZBFHGGJFSA-N 0 0 328.456 3.249 20 10 EGCDRN CNC(=O)COc1ccc(N[C@H](C)c2cc(C)ccc2O)c(C)c1 ZINC000280875523 456070548 /nfs/dbraw/zinc/07/05/48/456070548.db2.gz DDZWWFOELPNVSD-CQSZACIVSA-N 0 0 328.412 3.307 20 10 EGCDRN C[C@@H]1COCC[C@@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000287946282 456083734 /nfs/dbraw/zinc/08/37/34/456083734.db2.gz TWCIFAFFLJGIBX-NVXWUHKLSA-N 0 0 345.487 3.099 20 10 EGCDRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000288532552 456098501 /nfs/dbraw/zinc/09/85/01/456098501.db2.gz 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CC[NH+](CC)C[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000093693413 1292931480 /nfs/dbraw/zinc/93/14/80/1292931480.db2.gz RLDOVDXIQHSOKU-CYBMUJFWSA-N 0 0 341.293 3.318 20 10 EGCDRN CCn1cc(N2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cn1 ZINC000101960351 1292971534 /nfs/dbraw/zinc/97/15/34/1292971534.db2.gz WXRMJPHIZRYCOH-ZSOIEALJSA-N 0 0 345.449 3.317 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cccc(C)c2)c1 ZINC000103515197 1293008052 /nfs/dbraw/zinc/00/80/52/1293008052.db2.gz PZVMXEXCRQRKGD-CQSZACIVSA-N 0 0 328.412 3.312 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)O)C2)c(C)n1-c1ccccn1 ZINC000832503601 1293016952 /nfs/dbraw/zinc/01/69/52/1293016952.db2.gz OHXQBTVMZDQNPS-MRXNPFEDSA-N 0 0 341.455 3.112 20 10 EGCDRN CC[S@](=O)c1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000104901119 1293028632 /nfs/dbraw/zinc/02/86/32/1293028632.db2.gz PEOSLECDFMDNIN-FNODVLLQSA-N 0 0 347.436 3.019 20 10 EGCDRN CC(=O)c1c[nH]c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000108294973 1293078106 /nfs/dbraw/zinc/07/81/06/1293078106.db2.gz 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Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)OCc1ccccc1 ZINC000115281056 1293186053 /nfs/dbraw/zinc/18/60/53/1293186053.db2.gz WYCRFPDXJXNLNA-INIZCTEOSA-N 0 0 326.440 3.283 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccn(-c2ccccc2)n1 ZINC000115282197 1293187144 /nfs/dbraw/zinc/18/71/44/1293187144.db2.gz XVJGLXYIFIBIFB-UHFFFAOYSA-N 0 0 334.423 3.177 20 10 EGCDRN CCc1ncc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000117976156 1293228458 /nfs/dbraw/zinc/22/84/58/1293228458.db2.gz NMYWKKGYWMVZSC-AWEZNQCLSA-N 0 0 346.452 3.233 20 10 EGCDRN Cc1cnccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000121054251 1293353504 /nfs/dbraw/zinc/35/35/04/1293353504.db2.gz IBFLRQLZQIHOJI-OAHLLOKOSA-N 0 0 340.427 3.109 20 10 EGCDRN COc1ccc2c(CN(C)c3ccc4c(c3)OCO4)cc(=O)oc2c1 ZINC000121263787 1293362439 /nfs/dbraw/zinc/36/24/39/1293362439.db2.gz ORUNZFXMTYDQAK-UHFFFAOYSA-N 0 0 339.347 3.167 20 10 EGCDRN c1cnn(-c2ccc(NCc3ccc(N4CCOCC4)cc3)cc2)c1 ZINC000121732058 1293386446 /nfs/dbraw/zinc/38/64/46/1293386446.db2.gz 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CN(C)c1ccc(CN(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000131828975 1293701882 /nfs/dbraw/zinc/70/18/82/1293701882.db2.gz XSEKXYSTBWOKEX-UHFFFAOYSA-N 0 0 331.347 3.072 20 10 EGCDRN COc1ccc(O)c(CNC(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000132841521 1293730434 /nfs/dbraw/zinc/73/04/34/1293730434.db2.gz IFRLGXSGCOAOFY-UHFFFAOYSA-N 0 0 343.276 3.489 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)CN1C[C@H](C2CC2)CC1=O ZINC000134741603 1293779945 /nfs/dbraw/zinc/77/99/45/1293779945.db2.gz RHSSPBKHVKDZLL-LJQANCHMSA-N 0 0 341.499 3.325 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)OC(C)(C)C2)cc1 ZINC000139513352 1293843820 /nfs/dbraw/zinc/84/38/20/1293843820.db2.gz VXXHQMGFCFRCRJ-HNNXBMFYSA-N 0 0 333.476 3.242 20 10 EGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)cc1OC ZINC000140293923 1293850306 /nfs/dbraw/zinc/85/03/06/1293850306.db2.gz DDSFZZVLYWRRBI-OAHLLOKOSA-N 0 0 342.439 3.360 20 10 EGCDRN Cc1ccsc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000145436349 1293870128 /nfs/dbraw/zinc/87/01/28/1293870128.db2.gz 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC000839921449 1320996955 /nfs/dbraw/zinc/99/69/55/1320996955.db2.gz ZQWVJGDZUZXTNP-INIZCTEOSA-N 0 0 339.483 3.481 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc2cccnc2[nH]1 ZINC000839922858 1320997680 /nfs/dbraw/zinc/99/76/80/1320997680.db2.gz YXXIVWKGGKNSDM-AWEZNQCLSA-N 0 0 336.439 3.298 20 10 EGCDRN COc1ccc(N2CCC(Nc3cc(OC(C)C)ncn3)CC2)cc1 ZINC000840254539 1321060327 /nfs/dbraw/zinc/06/03/27/1321060327.db2.gz CSGZNDJCYAIDFN-UHFFFAOYSA-N 0 0 342.443 3.353 20 10 EGCDRN CCO[C@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000840300752 1321068967 /nfs/dbraw/zinc/06/89/67/1321068967.db2.gz MEHAXLLEDMKXTG-RBUKOAKNSA-N 0 0 348.487 3.075 20 10 EGCDRN Fc1cc(CNc2ccnc(Cl)c2)cc(F)c1N1CCOCC1 ZINC000840326399 1321073477 /nfs/dbraw/zinc/07/34/77/1321073477.db2.gz UEYLDSSNMZCCIZ-UHFFFAOYSA-N 0 0 339.773 3.462 20 10 EGCDRN C[C@H](NC(=O)NCC(C)(C)OCC1CC1)c1ccc(N(C)C)cc1 ZINC000840354790 1321077808 /nfs/dbraw/zinc/07/78/08/1321077808.db2.gz PPZWCKUHCUQDRI-AWEZNQCLSA-N 0 0 333.476 3.318 20 10 EGCDRN CO[C@@](C)([C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000840354800 1321077982 /nfs/dbraw/zinc/07/79/82/1321077982.db2.gz PTKWDGSZNVEHKQ-NJSLBKSFSA-N 0 0 333.476 3.316 20 10 EGCDRN CC[C@](O)(CC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000840398221 1321085677 /nfs/dbraw/zinc/08/56/77/1321085677.db2.gz DTAMDBDPJWSOIN-XOBRGWDASA-N 0 0 343.423 3.266 20 10 EGCDRN CO[C@](C)([C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000840417749 1321088879 /nfs/dbraw/zinc/08/88/79/1321088879.db2.gz QZHDARDXHLUCGP-IFXJQAMLSA-N 0 0 333.476 3.098 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000840438216 1321092827 /nfs/dbraw/zinc/09/28/27/1321092827.db2.gz ZJPMWZPUQNJXEI-VYDXJSESSA-N 0 0 333.476 3.098 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2csnn2)cc1 ZINC000840459381 1321095181 /nfs/dbraw/zinc/09/51/81/1321095181.db2.gz UHLSHPRRVSTLOY-ZDUSSCGKSA-N 0 0 347.488 3.287 20 10 EGCDRN 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QOIJQFJLZLWDAT-QGZVFWFLSA-N 0 0 347.846 3.152 20 10 EGCDRN Nc1ccc(CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000841893313 1321327939 /nfs/dbraw/zinc/32/79/39/1321327939.db2.gz IIJZGZJNTFECPW-DLBZAZTESA-N 0 0 329.831 3.320 20 10 EGCDRN C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841954392 1321331767 /nfs/dbraw/zinc/33/17/67/1321331767.db2.gz LIGWTRBQEWOHTR-CYBMUJFWSA-N 0 0 327.403 3.279 20 10 EGCDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841955447 1321332000 /nfs/dbraw/zinc/33/20/00/1321332000.db2.gz CFXXRWNIGAOAJE-CQSZACIVSA-N 0 0 329.419 3.223 20 10 EGCDRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841958618 1321332232 /nfs/dbraw/zinc/33/22/32/1321332232.db2.gz GOOHZVRXQBHGNT-DLBZAZTESA-N 0 0 333.476 3.046 20 10 EGCDRN C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841962311 1321333182 /nfs/dbraw/zinc/33/31/82/1321333182.db2.gz NZLJMOBNRNUCRE-GFCCVEGCSA-N 0 0 333.382 3.492 20 10 EGCDRN CCOC(=O)c1coc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000842023556 1321335843 /nfs/dbraw/zinc/33/58/43/1321335843.db2.gz FNHROKINYNRKEH-UHFFFAOYSA-N 0 0 329.400 3.086 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)[C@H](C)[C@H]3C)CC2)cc1 ZINC000842176569 1321357830 /nfs/dbraw/zinc/35/78/30/1321357830.db2.gz UPHGSMHSPWSUQQ-HRCADAONSA-N 0 0 345.487 3.350 20 10 EGCDRN CO[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)CC(C)C ZINC000842186917 1321359974 /nfs/dbraw/zinc/35/99/74/1321359974.db2.gz MFFNXPUDJISSOU-IBGZPJMESA-N 0 0 347.503 3.488 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)c3cnn(C4CC4)c3)cc2)CC1 ZINC000859283505 1328961021 /nfs/dbraw/zinc/96/10/21/1328961021.db2.gz YBRJSTYUUAMULA-UHFFFAOYSA-N 0 0 338.455 3.384 20 10 EGCDRN C[C@H](NC(=O)/C=C\C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000843537597 1321526328 /nfs/dbraw/zinc/52/63/28/1321526328.db2.gz YVIFTHIPTASGNM-BCTQVIJGSA-N 0 0 328.456 3.447 20 10 EGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\C1CCCC1 ZINC000843908855 1321557055 /nfs/dbraw/zinc/55/70/55/1321557055.db2.gz RCASQKJBTOABHH-QXMHVHEDSA-N 0 0 331.412 3.030 20 10 EGCDRN 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PMBOQQHXZXJJGK-HNNXBMFYSA-N 0 0 346.814 3.108 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCC[C@H]2SC)c1 ZINC000845334272 1321700397 /nfs/dbraw/zinc/70/03/97/1321700397.db2.gz MUWOJTYONWOASN-DJSGYFEHSA-N 0 0 338.473 3.435 20 10 EGCDRN COc1ccc(N(C)CCN(C)c2ccc(C(F)(F)F)nn2)cc1 ZINC000845674132 1321732713 /nfs/dbraw/zinc/73/27/13/1321732713.db2.gz VLAPVMHHGMFZNN-UHFFFAOYSA-N 0 0 340.349 3.077 20 10 EGCDRN CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2ccccc2O)CC=CCC1 ZINC000845834738 1321745192 /nfs/dbraw/zinc/74/51/92/1321745192.db2.gz XWGMTHVFEZGSDR-IBGZPJMESA-N 0 0 331.412 3.077 20 10 EGCDRN CC[C@H]([NH2+]CCN1CCCC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000846205322 1321775452 /nfs/dbraw/zinc/77/54/52/1321775452.db2.gz GCLJWFISVHIBOJ-LBPRGKRZSA-N 0 0 331.243 3.362 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000846205418 1321775743 /nfs/dbraw/zinc/77/57/43/1321775743.db2.gz GXEXPXMEWAYCJA-MNOVXSKESA-N 0 0 342.361 3.073 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc3ccsc3[nH]2)cc1 ZINC000846447618 1321786973 /nfs/dbraw/zinc/78/69/73/1321786973.db2.gz RUOPPDGDOLROOW-UHFFFAOYSA-N 0 0 343.452 3.446 20 10 EGCDRN COc1ccc(C[C@H]2CCCCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000846696752 1321802339 /nfs/dbraw/zinc/80/23/39/1321802339.db2.gz HJVUPOWUGMTKJO-LJQANCHMSA-N 0 0 338.451 3.444 20 10 EGCDRN Fc1cc(CNc2cccc3c2OCC3)ccc1N1CCOCC1 ZINC000846748505 1321804525 /nfs/dbraw/zinc/80/45/25/1321804525.db2.gz SBNBJKARQHLXBS-UHFFFAOYSA-N 0 0 328.387 3.209 20 10 EGCDRN CN(CC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nccs2)cc1 ZINC000846990399 1321831300 /nfs/dbraw/zinc/83/13/00/1321831300.db2.gz AQXVDBNVPQQNRS-CYBMUJFWSA-N 0 0 336.482 3.071 20 10 EGCDRN CC(C)S(=O)(=O)CCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846995725 1321832103 /nfs/dbraw/zinc/83/21/03/1321832103.db2.gz OUBOAUVQPLBAHN-UHFFFAOYSA-N 0 0 338.498 3.460 20 10 EGCDRN COc1cccc(CNC(=O)CCCc2c(F)cccc2F)c1O ZINC000847590374 1321882816 /nfs/dbraw/zinc/88/28/16/1321882816.db2.gz XOWDQQPMPWYZNG-UHFFFAOYSA-N 0 0 335.350 3.318 20 10 EGCDRN 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ZINC000285023058 455778494 /nfs/dbraw/zinc/77/84/94/455778494.db2.gz FCJKZTSTLPFZPD-UHFFFAOYSA-N 0 0 342.439 3.478 20 10 EGCDRN Cc1nsc(C)c1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000293383669 455784544 /nfs/dbraw/zinc/78/45/44/455784544.db2.gz NBAFEAPIPRGBPH-OAHLLOKOSA-N 0 0 346.452 3.287 20 10 EGCDRN Cc1ccoc1COC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000293432588 455787180 /nfs/dbraw/zinc/78/71/80/455787180.db2.gz HTTCLVLQJMRZKR-QPJJXVBHSA-N 0 0 327.380 3.181 20 10 EGCDRN CCOC(=O)[C@@H](F)C1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000294012872 455802875 /nfs/dbraw/zinc/80/28/75/455802875.db2.gz UKRUEMXXMCHQPV-SFHVURJKSA-N 0 0 334.435 3.010 20 10 EGCDRN CC(C)C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000271964993 455806957 /nfs/dbraw/zinc/80/69/57/455806957.db2.gz MANCQIHEGZXSOH-AEFFLSMTSA-N 0 0 333.476 3.146 20 10 EGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCc3cccnc32)cc1F ZINC000194180408 455812114 /nfs/dbraw/zinc/81/21/14/455812114.db2.gz ABJURETYJRCAJU-OAHLLOKOSA-N 0 0 327.403 3.023 20 10 EGCDRN 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/nfs/dbraw/zinc/85/66/02/455856602.db2.gz GCKMLTKQVFBDLN-HJWRWDBZSA-N 0 0 341.436 3.439 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](F)[C@@H](F)C3)ccc21 ZINC000295805431 455859528 /nfs/dbraw/zinc/85/95/28/455859528.db2.gz WEPSLMBOSRVILF-IYBDPMFKSA-N 0 0 336.382 3.037 20 10 EGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(-c2ccccc2)nn1 ZINC000255227007 455863232 /nfs/dbraw/zinc/86/32/32/455863232.db2.gz MIXHMHQWAVABNK-YFHOEESVSA-N 0 0 334.354 3.354 20 10 EGCDRN CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)c1 ZINC000187107996 455870675 /nfs/dbraw/zinc/87/06/75/455870675.db2.gz NUAUZLLMMRRDGY-INIZCTEOSA-N 0 0 326.396 3.141 20 10 EGCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1C(=O)OC ZINC000255671729 455872043 /nfs/dbraw/zinc/87/20/43/455872043.db2.gz MLVCPPMKZCVPOB-HJWRWDBZSA-N 0 0 328.343 3.074 20 10 EGCDRN Cc1cc(C(=O)Nc2nncn2C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000285641062 455886825 /nfs/dbraw/zinc/88/68/25/455886825.db2.gz DIKJUFNJJPPFHJ-UHFFFAOYSA-N 0 0 339.374 3.412 20 10 EGCDRN CC(C)Cn1ncnc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000272341494 455919762 /nfs/dbraw/zinc/91/97/62/455919762.db2.gz OSJOCLRJDDWWNA-UHFFFAOYSA-N 0 0 329.492 3.411 20 10 EGCDRN CCOc1ccc(O)c(C[NH2+]Cc2nc3cc(C)ccc3n2C)c1 ZINC000187578549 455927164 /nfs/dbraw/zinc/92/71/64/455927164.db2.gz ZDGQRIJWVGRKND-UHFFFAOYSA-N 0 0 325.412 3.276 20 10 EGCDRN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187670742 455936863 /nfs/dbraw/zinc/93/68/63/455936863.db2.gz SAESJCFLJGSCFV-LLVKDONJSA-N 0 0 334.366 3.271 20 10 EGCDRN C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)c(F)c1[O-] ZINC000187687117 455938446 /nfs/dbraw/zinc/93/84/46/455938446.db2.gz BAEKYHLTUSZHRF-VIFPVBQESA-N 0 0 338.320 3.348 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1[O-] ZINC000187717621 455943242 /nfs/dbraw/zinc/94/32/42/455943242.db2.gz UYAGGXBWOSXNMZ-MNOVXSKESA-N 0 0 342.386 3.330 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@@H](CO)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000270387815 455945390 /nfs/dbraw/zinc/94/53/90/455945390.db2.gz RHJMJMAFHBUAGV-CQSZACIVSA-N 0 0 332.831 3.202 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187799403 455954721 /nfs/dbraw/zinc/95/47/21/455954721.db2.gz BRWKPVDSEGDFRX-GLKRBJQHSA-N 0 0 329.412 3.376 20 10 EGCDRN CN(C(=O)c1cccc(O)c1O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000280436318 455971584 /nfs/dbraw/zinc/97/15/84/455971584.db2.gz JZWJXGMMSAOBOF-WMLDXEAASA-N 0 0 345.370 3.229 20 10 EGCDRN CCc1cc(CC)nc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000286250719 456008183 /nfs/dbraw/zinc/00/81/83/456008183.db2.gz IURZMSGKYKHDGO-UHFFFAOYSA-N 0 0 326.444 3.050 20 10 EGCDRN CC[C@H](CO)NC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cc1 ZINC000280616614 456014349 /nfs/dbraw/zinc/01/43/49/456014349.db2.gz FARIKQYKWCYALJ-QGZVFWFLSA-N 0 0 342.439 3.122 20 10 EGCDRN COc1ccccc1C[C@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272643354 456024286 /nfs/dbraw/zinc/02/42/86/456024286.db2.gz LWGVBFSPCGMIDT-MARXPDLDSA-N 0 0 341.407 3.209 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)C3CC3)cc2F)C[C@@H](C)O1 ZINC000287228691 456064560 /nfs/dbraw/zinc/06/45/60/456064560.db2.gz QJYRBMLMNJZVMB-ZIAGYGMSSA-N 0 0 348.462 3.492 20 10 EGCDRN Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000280859431 456067457 /nfs/dbraw/zinc/06/74/57/456067457.db2.gz RYQACXNDIVBFRG-UHFFFAOYSA-N 0 0 341.455 3.486 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)c3cnn(CCF)c3)cc2)CC1 ZINC000287499160 456070796 /nfs/dbraw/zinc/07/07/96/456070796.db2.gz HNDABFUPLRYHEZ-UHFFFAOYSA-N 0 0 344.434 3.019 20 10 EGCDRN CC(=O)N1CCN(c2cccc(N[C@H](C)c3ccccc3O)c2)CC1 ZINC000188543569 456081685 /nfs/dbraw/zinc/08/16/85/456081685.db2.gz LFXSRYCOWQCNIP-OAHLLOKOSA-N 0 0 339.439 3.234 20 10 EGCDRN CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287900837 456081963 /nfs/dbraw/zinc/08/19/63/456081963.db2.gz ZOTIEWGTIONDOT-KGLIPLIRSA-N 0 0 344.242 3.207 20 10 EGCDRN CC(=O)C(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000289774345 456141261 /nfs/dbraw/zinc/14/12/61/456141261.db2.gz WLVZXSBCKJVBJV-UHFFFAOYSA-N 0 0 342.342 3.363 20 10 EGCDRN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000289849050 456154136 /nfs/dbraw/zinc/15/41/36/456154136.db2.gz QJHIPJJRORXNEB-VRHCTWJESA-N 0 0 333.378 3.487 20 10 EGCDRN CC(C)(C)OC(=O)NCCCC[NH2+]Cc1c(O)cccc1Cl ZINC000281180409 456156658 /nfs/dbraw/zinc/15/66/58/456156658.db2.gz NTBNOEJCNXJLHY-UHFFFAOYSA-N 0 0 328.840 3.440 20 10 EGCDRN CCO[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000188909982 456166994 /nfs/dbraw/zinc/16/69/94/456166994.db2.gz FOTIOOJTWNUNCS-LJQANCHMSA-N 0 0 340.423 3.256 20 10 EGCDRN Cc1nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000301643567 456171340 /nfs/dbraw/zinc/17/13/40/456171340.db2.gz MZNIEJUKTCSSIK-CYBMUJFWSA-N 0 0 342.399 3.308 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(CCCO)CC2)cc1 ZINC000273081585 456171476 /nfs/dbraw/zinc/17/14/76/456171476.db2.gz PLWLBVSKYAFBER-UHFFFAOYSA-N 0 0 347.503 3.227 20 10 EGCDRN C[C@H]1C[C@H](CC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000273093307 456174763 /nfs/dbraw/zinc/17/47/63/456174763.db2.gz TWJIQDHQVCEJBE-WDEREUQCSA-N 0 0 328.796 3.249 20 10 EGCDRN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000237024180 456220626 /nfs/dbraw/zinc/22/06/26/456220626.db2.gz BIUNJJHFGSADHX-DYVFJYSZSA-N 0 0 325.412 3.052 20 10 EGCDRN COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1OC ZINC000273300337 456222867 /nfs/dbraw/zinc/22/28/67/456222867.db2.gz BFFAROPUZPKAKH-NSHDSACASA-N 0 0 332.356 3.168 20 10 EGCDRN COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000273364845 456225169 /nfs/dbraw/zinc/22/51/69/456225169.db2.gz DVXOWDBQSZOHLL-NSHDSACASA-N 0 0 332.356 3.168 20 10 EGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273397507 456227440 /nfs/dbraw/zinc/22/74/40/456227440.db2.gz MEFFQUVPZHPXRC-HWPZZCPQSA-N 0 0 336.775 3.338 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC000273447719 456231332 /nfs/dbraw/zinc/23/13/32/456231332.db2.gz FIJDGGAGJFZZJA-YEWWUXTCSA-N 0 0 335.444 3.281 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(F)cc1[O-] ZINC000273464272 456233174 /nfs/dbraw/zinc/23/31/74/456233174.db2.gz DKTRTRIMPQSKTR-GFCCVEGCSA-N 0 0 328.387 3.274 20 10 EGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273467883 456233860 /nfs/dbraw/zinc/23/38/60/456233860.db2.gz JGYACVNTVYAVRW-OUENDJJVSA-N 0 0 332.400 3.299 20 10 EGCDRN COc1ccc(N2CCN(C(=O)CCc3ccc(C)s3)CC2)cc1 ZINC000290085813 456236490 /nfs/dbraw/zinc/23/64/90/456236490.db2.gz VLQUELALKZERAN-UHFFFAOYSA-N 0 0 344.480 3.347 20 10 EGCDRN CO[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000297502806 456237218 /nfs/dbraw/zinc/23/72/18/456237218.db2.gz OKEODVFNCIPLGX-GOSISDBHSA-N 0 0 333.476 3.098 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3ccc(C(C)C)cn3)CC2)cc1 ZINC000290095247 456238821 /nfs/dbraw/zinc/23/88/21/456238821.db2.gz WHTMFCCTCGLMMC-UHFFFAOYSA-N 0 0 339.439 3.176 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000273593454 456241559 /nfs/dbraw/zinc/24/15/59/456241559.db2.gz PYBOSNAYYFTFFT-KSSFIOAISA-N 0 0 343.423 3.343 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1nnc(C)s1 ZINC000274251009 456254183 /nfs/dbraw/zinc/25/41/83/456254183.db2.gz SVKKTXUNYKKLBM-LBPRGKRZSA-N 0 0 347.488 3.205 20 10 EGCDRN Cc1ccc(C(=O)N(C)CCCOCc2ccccc2)c(O)c1O ZINC000281545925 456262282 /nfs/dbraw/zinc/26/22/82/456262282.db2.gz KBBFCFCATJULLR-UHFFFAOYSA-N 0 0 329.396 3.085 20 10 EGCDRN Cc1ccc(C(F)(F)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000274902367 456266737 /nfs/dbraw/zinc/26/67/37/456266737.db2.gz GRUGSOILJWLFJQ-LBPRGKRZSA-N 0 0 335.350 3.245 20 10 EGCDRN CC(C)c1nc(NCc2c(O)ccc3c2CCCC3)nc(N(C)C)n1 ZINC000301999065 456267537 /nfs/dbraw/zinc/26/75/37/456267537.db2.gz PNRYKDCDWWAUSH-UHFFFAOYSA-N 0 0 341.459 3.258 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)NOCCC(F)(F)F)C2CC2)cc1 ZINC000275435761 456275298 /nfs/dbraw/zinc/27/52/98/456275298.db2.gz VVIMSFMOTYKQGX-UHFFFAOYSA-N 0 0 345.365 3.311 20 10 EGCDRN Cc1cc(C(=O)N[C@H](C)c2ncn(C)n2)c(C)n1-c1ccccc1C ZINC000275600570 456277385 /nfs/dbraw/zinc/27/73/85/456277385.db2.gz PQEDJDYUEPQXIF-CQSZACIVSA-N 0 0 337.427 3.022 20 10 EGCDRN CN(Cc1ncnn1CCF)c1ccc(OCc2ccccc2)cc1 ZINC000281637795 456279291 /nfs/dbraw/zinc/27/92/91/456279291.db2.gz MCQJYNWJMFOCTM-UHFFFAOYSA-N 0 0 340.402 3.463 20 10 EGCDRN CN(Cc1ccccc1O)c1nn2cc(-c3cccnc3)nc2s1 ZINC000302174874 456306969 /nfs/dbraw/zinc/30/69/69/456306969.db2.gz MQFGIOLDIYWHCR-UHFFFAOYSA-N 0 0 337.408 3.195 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](O)C(C)(C)C2)cc1 ZINC000275897197 456344215 /nfs/dbraw/zinc/34/42/15/456344215.db2.gz RMEZOZIQCFJMRU-SFHVURJKSA-N 0 0 326.440 3.327 20 10 EGCDRN O=C(/C=C/c1cncs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000281875076 456346955 /nfs/dbraw/zinc/34/69/55/456346955.db2.gz FPKYLNDXZVONPM-KIUWMYQTSA-N 0 0 344.436 3.070 20 10 EGCDRN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])[C@@]12CCCO2 ZINC000275999421 456366744 /nfs/dbraw/zinc/36/67/44/456366744.db2.gz AHAWFLAZHYMDLX-NSOAYMTKSA-N 0 0 327.371 3.048 20 10 EGCDRN CC(C)n1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000276089085 456386104 /nfs/dbraw/zinc/38/61/04/456386104.db2.gz PWRVKNOGZWBTGA-UHFFFAOYSA-N 0 0 326.444 3.335 20 10 EGCDRN O=C(NCc1ccccc1O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000290677489 456402873 /nfs/dbraw/zinc/40/28/73/456402873.db2.gz TXNYISALSJHABM-AWEZNQCLSA-N 0 0 330.815 3.188 20 10 EGCDRN CO[C@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298248645 456403580 /nfs/dbraw/zinc/40/35/80/456403580.db2.gz MTNVOVPHYXUMKY-IBGZPJMESA-N 0 0 342.439 3.299 20 10 EGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCC1(F)F ZINC000290686095 456404505 /nfs/dbraw/zinc/40/45/05/456404505.db2.gz ILHPTJSEUYSTQK-CQSZACIVSA-N 0 0 335.398 3.250 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnc(N(C)C)c1 ZINC000282354899 456486952 /nfs/dbraw/zinc/48/69/52/456486952.db2.gz AULRATBLMYXULU-UHFFFAOYSA-N 0 0 327.428 3.296 20 10 EGCDRN CN(Cc1ccccc1O)c1nnc(C2CCC2)n1C[C@@H]1CCCO1 ZINC000291050767 456510833 /nfs/dbraw/zinc/51/08/33/456510833.db2.gz GZTYRQTUBMJBHD-INIZCTEOSA-N 0 0 342.443 3.067 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C2CCC2)c1 ZINC000291220298 456569305 /nfs/dbraw/zinc/56/93/05/456569305.db2.gz CBVWBCCLOLOSTH-UHFFFAOYSA-N 0 0 338.407 3.257 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000299062983 456595856 /nfs/dbraw/zinc/59/58/56/456595856.db2.gz PHCRHBCHIPNIFG-OAHLLOKOSA-N 0 0 347.503 3.040 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276933964 456625200 /nfs/dbraw/zinc/62/52/00/456625200.db2.gz OSSXUTMVWUPEPW-LRDDRELGSA-N 0 0 346.377 3.122 20 10 EGCDRN C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276983244 456641602 /nfs/dbraw/zinc/64/16/02/456641602.db2.gz WKCDXGMPAMGWDQ-GWCFXTLKSA-N 0 0 325.330 3.064 20 10 EGCDRN CN1CCCc2cc(CNC(=O)CCc3nc4ccccc4[nH]3)ccc21 ZINC000299375706 456673016 /nfs/dbraw/zinc/67/30/16/456673016.db2.gz KHYBXYICOZYRCZ-UHFFFAOYSA-N 0 0 348.450 3.194 20 10 EGCDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291640415 456705383 /nfs/dbraw/zinc/70/53/83/456705383.db2.gz TUUVRYXZWFXEAA-CYBMUJFWSA-N 0 0 338.404 3.089 20 10 EGCDRN CC(C)[C@H](O)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000291689686 456721463 /nfs/dbraw/zinc/72/14/63/456721463.db2.gz NUYUJXOORGYRAG-BEFAXECRSA-N 0 0 327.424 3.499 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCOc3ccccc32)cc1 ZINC000299629445 456748738 /nfs/dbraw/zinc/74/87/38/456748738.db2.gz YBEGVRLYJKMLTJ-SFHVURJKSA-N 0 0 339.439 3.466 20 10 EGCDRN CCN(Cc1nnc2n1CCCCC2)c1ccc(OC)c(OC)c1 ZINC000299647447 456753820 /nfs/dbraw/zinc/75/38/20/456753820.db2.gz XGBHUZDXJNYUNJ-UHFFFAOYSA-N 0 0 330.432 3.048 20 10 EGCDRN C[C@H](c1ccccc1)N(Cc1nnnn1C1CC1)Cc1ccccc1O ZINC000299671337 456760982 /nfs/dbraw/zinc/76/09/82/456760982.db2.gz PIIZDQYTKAJACC-OAHLLOKOSA-N 0 0 349.438 3.477 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1[N+](=O)[O-] ZINC000301099337 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348.196 3.287 20 10 EGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000765862671 1302342525 /nfs/dbraw/zinc/34/25/25/1302342525.db2.gz ZCAFIIHTEVINDJ-ZDUSSCGKSA-N 0 0 344.411 3.278 20 10 EGCDRN Cc1cc(C(=O)N2CCO[C@H](C)[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000765989863 1302362578 /nfs/dbraw/zinc/36/25/78/1302362578.db2.gz MVPFDIQKFJVBDV-UKRRQHHQSA-N 0 0 330.403 3.483 20 10 EGCDRN CC[C@@H](NCc1n[nH]cc1Br)c1ccc(N(C)C)cc1 ZINC000766086001 1302384116 /nfs/dbraw/zinc/38/41/16/1302384116.db2.gz YAMOTCVSTFXALH-CQSZACIVSA-N 0 0 337.265 3.479 20 10 EGCDRN COc1ccc2c(c1)CCCCN2C[C@H](O)COCc1ccco1 ZINC000766268560 1302419049 /nfs/dbraw/zinc/41/90/49/1302419049.db2.gz FGWCMLPZTNFUBI-INIZCTEOSA-N 0 0 331.412 3.009 20 10 EGCDRN COCC(COC)OC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000766439745 1302453357 /nfs/dbraw/zinc/45/33/57/1302453357.db2.gz PVBQVBRXNPFEIM-UHFFFAOYSA-N 0 0 331.412 3.221 20 10 EGCDRN COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)nc1Cl ZINC000767033340 1302568215 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ZINC000769191764 1303067049 /nfs/dbraw/zinc/06/70/49/1303067049.db2.gz CSDCTEQOFGHTIY-NRFANRHFSA-N 0 0 349.478 3.350 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](F)c1ccccc1 ZINC000769351266 1303097772 /nfs/dbraw/zinc/09/77/72/1303097772.db2.gz AIHSXWHIJVORRA-LJQANCHMSA-N 0 0 342.414 3.192 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](F)c1ccccc1 ZINC000769351263 1303098320 /nfs/dbraw/zinc/09/83/20/1303098320.db2.gz AIHSXWHIJVORRA-IBGZPJMESA-N 0 0 342.414 3.192 20 10 EGCDRN CCO[C@@H](C)c1noc(CN(C)Cc2cc(Cl)ccc2O)n1 ZINC000769501783 1303129210 /nfs/dbraw/zinc/12/92/10/1303129210.db2.gz BNSFFENBVXNTNE-JTQLQIEISA-N 0 0 325.796 3.158 20 10 EGCDRN COc1ccc(O)c(CNC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 ZINC000769543221 1303138856 /nfs/dbraw/zinc/13/88/56/1303138856.db2.gz YRBWJHLNWAYMGI-DKSSEZFCSA-N 0 0 349.471 3.494 20 10 EGCDRN COc1ccc(O)c(CNC(=O)CCOc2c(C)cccc2C)c1 ZINC000769540230 1303138919 /nfs/dbraw/zinc/13/89/19/1303138919.db2.gz GUGGUWSSVHKCAA-UHFFFAOYSA-N 0 0 329.396 3.103 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1csc(=O)[nH]1 ZINC000769675372 1303156377 /nfs/dbraw/zinc/15/63/77/1303156377.db2.gz SDEDJNQRTSLCIM-UHFFFAOYSA-N 0 0 331.441 3.111 20 10 EGCDRN Cc1cc(C(=O)COC(=O)C2CC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000769804093 1303176854 /nfs/dbraw/zinc/17/68/54/1303176854.db2.gz PVNWHEFOQHHZSZ-UHFFFAOYSA-N 0 0 339.391 3.108 20 10 EGCDRN C[C@@H](NC(=O)N1CCCC2(CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000770360444 1303253902 /nfs/dbraw/zinc/25/39/02/1303253902.db2.gz RYQWLEQWKMSDJS-MRXNPFEDSA-N 0 0 343.471 3.170 20 10 EGCDRN COCCCOc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000770506331 1303279115 /nfs/dbraw/zinc/27/91/15/1303279115.db2.gz QICFHACQGKBIHD-UHFFFAOYSA-N 0 0 331.368 3.074 20 10 EGCDRN Cc1cc(C(=O)CN2CCN(C)[C@H](C)[C@@H]2C)c(C)n1-c1ccccc1 ZINC000771457728 1303409269 /nfs/dbraw/zinc/40/92/69/1303409269.db2.gz AXVZMQRPSXJULZ-SJORKVTESA-N 0 0 339.483 3.301 20 10 EGCDRN CC(C)[C@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000772121804 1303490188 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0 0 349.402 3.321 20 10 EGCDRN CC(C)c1noc(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772994027 1303603866 /nfs/dbraw/zinc/60/38/66/1303603866.db2.gz LLRDCXICUOHMQA-CYBMUJFWSA-N 0 0 330.432 3.069 20 10 EGCDRN C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000773013115 1303606743 /nfs/dbraw/zinc/60/67/43/1303606743.db2.gz IOJNOOGAAFQBSA-OAHLLOKOSA-N 0 0 334.423 3.429 20 10 EGCDRN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773013075 1303606825 /nfs/dbraw/zinc/60/68/25/1303606825.db2.gz ZSPSSIKZYMXBRW-CZUORRHYSA-N 0 0 349.475 3.233 20 10 EGCDRN CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773013073 1303607031 /nfs/dbraw/zinc/60/70/31/1303607031.db2.gz ZSPSSIKZYMXBRW-BBRMVZONSA-N 0 0 349.475 3.233 20 10 EGCDRN C[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000773020634 1303610535 /nfs/dbraw/zinc/61/05/35/1303610535.db2.gz PUHJATXKJMSPSV-INIZCTEOSA-N 0 0 348.450 3.488 20 10 EGCDRN C[C@H](NS(=O)(=O)c1cccc(F)c1F)c1ccc(N(C)C)cc1 ZINC000773088738 1303622750 /nfs/dbraw/zinc/62/27/50/1303622750.db2.gz OGBFATRLMRKEAJ-NSHDSACASA-N 0 0 340.395 3.070 20 10 EGCDRN CC(C)n1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773315957 1303660175 /nfs/dbraw/zinc/66/01/75/1303660175.db2.gz HZOFMDLKKHFJHW-AWEZNQCLSA-N 0 0 329.448 3.090 20 10 EGCDRN Cc1nc(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000773390063 1303673251 /nfs/dbraw/zinc/67/32/51/1303673251.db2.gz IOBGYSCDJJMVSE-ZDUSSCGKSA-N 0 0 346.500 3.429 20 10 EGCDRN C[C@H](NC(=O)NC[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000773454733 1303684828 /nfs/dbraw/zinc/68/48/28/1303684828.db2.gz JJWYSQQYQQOFTC-ADLFWFRXSA-N 0 0 345.487 3.318 20 10 EGCDRN C[C@@H](NC(=O)N[C@@H](CO)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773624973 1303716590 /nfs/dbraw/zinc/71/65/90/1303716590.db2.gz LYHYMWAOHWXHTR-KDOFPFPSSA-N 0 0 333.476 3.054 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1coc2cc(F)ccc12 ZINC000773759926 1303736314 /nfs/dbraw/zinc/73/63/14/1303736314.db2.gz ALPAKKBUQGKJHV-NSHDSACASA-N 0 0 343.354 3.273 20 10 EGCDRN CC(C)Oc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773762729 1303736480 /nfs/dbraw/zinc/73/64/80/1303736480.db2.gz JKKTVINSOSGJRW-CYBMUJFWSA-N 0 0 329.396 3.246 20 10 EGCDRN Cc1ccc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Cl)c1 ZINC000773763249 1303736539 /nfs/dbraw/zinc/73/65/39/1303736539.db2.gz OEUFUYAAFYXCMA-LBPRGKRZSA-N 0 0 333.815 3.350 20 10 EGCDRN C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000773855202 1303746579 /nfs/dbraw/zinc/74/65/79/1303746579.db2.gz FPJPHPXBTCJWHH-LBPRGKRZSA-N 0 0 345.830 3.222 20 10 EGCDRN CCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773859536 1303747686 /nfs/dbraw/zinc/74/76/86/1303747686.db2.gz VIPIJTVMYNCVIU-CQSZACIVSA-N 0 0 339.439 3.131 20 10 EGCDRN CC(=O)Nc1ccc(F)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773992798 1303762137 /nfs/dbraw/zinc/76/21/37/1303762137.db2.gz FNVITWIGOUGQHT-GFCCVEGCSA-N 0 0 343.402 3.341 20 10 EGCDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000773994811 1303763302 /nfs/dbraw/zinc/76/33/02/1303763302.db2.gz OUIFTEOJSZCZBR-LBPRGKRZSA-N 0 0 343.383 3.160 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](CC)N1CCO[C@@H](CC)C1 ZINC000774042383 1303767331 /nfs/dbraw/zinc/76/73/31/1303767331.db2.gz BULWSZWSLYBIAN-ZWKOTPCHSA-N 0 0 348.487 3.020 20 10 EGCDRN CCCCCCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000774517633 1303820210 /nfs/dbraw/zinc/82/02/10/1303820210.db2.gz FBQQJACYBWIBOJ-UHFFFAOYSA-N 0 0 347.503 3.186 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000774735633 1303854829 /nfs/dbraw/zinc/85/48/29/1303854829.db2.gz WDSFKSBJIIWOPU-BFYDXBDKSA-N 0 0 346.471 3.072 20 10 EGCDRN COc1c(C)cnc(CN2CCOc3cc(N(C)C)ccc32)c1C ZINC000774751846 1303855556 /nfs/dbraw/zinc/85/55/56/1303855556.db2.gz ISIIQCUZXBTNSB-UHFFFAOYSA-N 0 0 327.428 3.172 20 10 EGCDRN CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775199833 1303923938 /nfs/dbraw/zinc/92/39/38/1303923938.db2.gz GOHQUJVYYHAWDG-KRWDZBQOSA-N 0 0 325.836 3.457 20 10 EGCDRN C[C@@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000775407418 1303959635 /nfs/dbraw/zinc/95/96/35/1303959635.db2.gz UJMQMPZMPXXDQE-CQSZACIVSA-N 0 0 349.434 3.426 20 10 EGCDRN C[C@H](NC(=O)CCOc1cccc(C=O)c1)c1ccc(N(C)C)cc1 ZINC000775412312 1303960779 /nfs/dbraw/zinc/96/07/79/1303960779.db2.gz WQXZOEGXHDEJCW-HNNXBMFYSA-N 0 0 340.423 3.211 20 10 EGCDRN C[C@H](NC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775411995 1303960796 /nfs/dbraw/zinc/96/07/96/1303960796.db2.gz TWKUAJNJRSHONX-UGSOOPFHSA-N 0 0 346.858 3.187 20 10 EGCDRN CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524622 1303979775 /nfs/dbraw/zinc/97/97/75/1303979775.db2.gz UDPXOOJLZACGJD-QWHCGFSZSA-N 0 0 344.242 3.207 20 10 EGCDRN COc1ccc2c(c1)CCCN2Cc1cn(Cc2ccccc2)nn1 ZINC000775567362 1303986325 /nfs/dbraw/zinc/98/63/25/1303986325.db2.gz ZVILYTCAAYCISO-UHFFFAOYSA-N 0 0 334.423 3.288 20 10 EGCDRN COc1ccc(N(C)CC2CCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000775580587 1303988525 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/nfs/dbraw/zinc/94/30/52/1328943052.db2.gz WZDDAHDSSFYTJL-UHFFFAOYSA-N 0 0 347.415 3.007 20 10 EGCDRN CCOCCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000841346050 1321261641 /nfs/dbraw/zinc/26/16/41/1321261641.db2.gz USKYXGVVKNEEMS-WTKPLQERSA-N 0 0 333.819 3.156 20 10 EGCDRN CC(C)(C(=O)NCCCSc1nccs1)C1CCC(O)CC1 ZINC000841392901 1321268112 /nfs/dbraw/zinc/26/81/12/1321268112.db2.gz DJQXLCRFEZYMSX-UHFFFAOYSA-N 0 0 342.530 3.319 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000841569238 1321284375 /nfs/dbraw/zinc/28/43/75/1321284375.db2.gz JUUFDPQXEJFBHR-CYBMUJFWSA-N 0 0 338.498 3.032 20 10 EGCDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nnc1C ZINC000841636030 1321289901 /nfs/dbraw/zinc/28/99/01/1321289901.db2.gz JJVGOIANVLKFKC-AWEZNQCLSA-N 0 0 341.459 3.221 20 10 EGCDRN Nc1ccc(CCNC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000841666501 1321294427 /nfs/dbraw/zinc/29/44/27/1321294427.db2.gz CBDFLCGFEHIMGD-INIZCTEOSA-N 0 0 345.443 3.487 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc(F)cn1 ZINC000841686539 1321296244 /nfs/dbraw/zinc/29/62/44/1321296244.db2.gz OCIDZQJSEZNSAV-CYBMUJFWSA-N 0 0 330.407 3.348 20 10 EGCDRN COc1ccc(C[NH2+]CCCc2nc(C)c(C(=O)[O-])s2)cc1C ZINC000841795219 1321313824 /nfs/dbraw/zinc/31/38/24/1321313824.db2.gz OIUKENCUBGNWON-UHFFFAOYSA-N 0 0 334.441 3.189 20 10 EGCDRN C[C@@H](CNC(=O)NCCc1ccc(N)cc1)Oc1cccc(Cl)c1 ZINC000841839423 1321321783 /nfs/dbraw/zinc/32/17/83/1321321783.db2.gz QOYWQQSKUGJXIP-ZDUSSCGKSA-N 0 0 347.846 3.231 20 10 EGCDRN CCO[C@H](CCNC(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841849347 1321322950 /nfs/dbraw/zinc/32/29/50/1321322950.db2.gz MXWULOPOPPSZOZ-GOSISDBHSA-N 0 0 333.476 3.096 20 10 EGCDRN Cc1ccc(C2(CNC(=O)NCCc3ccc(N)cc3)CC2)c(C)c1 ZINC000841907159 1321328610 /nfs/dbraw/zinc/32/86/10/1321328610.db2.gz KUXJZEVFEAASHY-UHFFFAOYSA-N 0 0 337.467 3.459 20 10 EGCDRN Nc1ccc(Cc2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1 ZINC000842569757 1321401800 /nfs/dbraw/zinc/40/18/00/1321401800.db2.gz 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ZINC000845002274 1321667967 /nfs/dbraw/zinc/66/79/67/1321667967.db2.gz IKUZLXYSRSMHIL-IEBWSBKVSA-N 0 0 343.471 3.162 20 10 EGCDRN CC(C)[C@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000845088742 1321675752 /nfs/dbraw/zinc/67/57/52/1321675752.db2.gz OGOGYNIGXXAPHV-UKRRQHHQSA-N 0 0 326.824 3.048 20 10 EGCDRN COC1CCC(CCNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845109127 1321676313 /nfs/dbraw/zinc/67/63/13/1321676313.db2.gz SKKHPUKIVPEPEV-UHFFFAOYSA-N 0 0 340.851 3.440 20 10 EGCDRN CC[C@@H]1COC(C)(C)CN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000845125593 1321677589 /nfs/dbraw/zinc/67/75/89/1321677589.db2.gz NUGJAOTXXZTVBR-GOEBONIOSA-N 0 0 333.476 3.413 20 10 EGCDRN COc1ccc2c(c1)c1c(n2CC(=O)OCCC[C@@H](C)O)CCCC1 ZINC000845297630 1321696604 /nfs/dbraw/zinc/69/66/04/1321696604.db2.gz CKCPMFSBFQCONZ-CQSZACIVSA-N 0 0 345.439 3.233 20 10 EGCDRN C[C@H]1C[C@H]1c1nnc2ccc(NCc3cc(Cl)ccc3O)nn21 ZINC000845709835 1321735391 /nfs/dbraw/zinc/73/53/91/1321735391.db2.gz YORYYGFSVQLABC-JOYOIKCWSA-N 0 0 329.791 3.219 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000845790587 1321744095 /nfs/dbraw/zinc/74/40/95/1321744095.db2.gz HLSUHSPHCJOQPO-UHFFFAOYSA-N 0 0 346.358 3.421 20 10 EGCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000846016060 1321762647 /nfs/dbraw/zinc/76/26/47/1321762647.db2.gz QBCSJEHXAMVMCC-NTZNESFSSA-N 0 0 336.229 3.373 20 10 EGCDRN COc1cccc([C@@H](C)Nc2ccc(C)c(N3CCNC3=O)c2)c1O ZINC000846167885 1321774083 /nfs/dbraw/zinc/77/40/83/1321774083.db2.gz NHPBOLPMOSRRST-CYBMUJFWSA-N 0 0 341.411 3.412 20 10 EGCDRN Cc1cc(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])ccc1N1CCCCC1 ZINC000846273655 1321782006 /nfs/dbraw/zinc/78/20/06/1321782006.db2.gz AOACLGXAVGTUEW-QGZVFWFLSA-N 0 0 348.512 3.377 20 10 EGCDRN Cc1cc2c(cc1C)O[C@H](C(=O)NCc1cc(Cl)ccc1O)C2 ZINC000846477872 1321788263 /nfs/dbraw/zinc/78/82/63/1321788263.db2.gz WGLPOFFMKOOPCS-KRWDZBQOSA-N 0 0 331.799 3.282 20 10 EGCDRN O=C(NCc1cc(Cl)ccc1O)c1csc([C@H]2CCCO2)n1 ZINC000846477882 1321788407 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O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc2nccn21 ZINC000848227017 1321945068 /nfs/dbraw/zinc/94/50/68/1321945068.db2.gz XUPOLSWLIDXYDE-UHFFFAOYSA-N 0 0 334.423 3.255 20 10 EGCDRN CCc1cccc(CN2CCn3c(Cc4ccccc4)nnc3C2)c1O ZINC000848887858 1322030412 /nfs/dbraw/zinc/03/04/12/1322030412.db2.gz GTRUIXHMKMICKR-UHFFFAOYSA-N 0 0 348.450 3.153 20 10 EGCDRN CCc1cccc(CNc2ccc3c(c2)CCN3C(=O)COC)c1O ZINC000848904477 1322040571 /nfs/dbraw/zinc/04/05/71/1322040571.db2.gz UYSBDVHQFTXGQV-UHFFFAOYSA-N 0 0 340.423 3.102 20 10 EGCDRN CCc1cccc(CNc2cccc(N3CCNC3=O)c2C)c1O ZINC000848907730 1322041803 /nfs/dbraw/zinc/04/18/03/1322041803.db2.gz ROOLXGSIUIFOJM-UHFFFAOYSA-N 0 0 325.412 3.405 20 10 EGCDRN CO[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000919593366 1322083513 /nfs/dbraw/zinc/08/35/13/1322083513.db2.gz FVAXBDHKIFSRNQ-INIZCTEOSA-N 0 0 343.423 3.472 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2ccccc2c1O ZINC000919743842 1322102445 /nfs/dbraw/zinc/10/24/45/1322102445.db2.gz RJZSASRRPHOTFL-UHFFFAOYSA-N 0 0 349.434 3.256 20 10 EGCDRN CO[C@H](CS(=O)(=O)Nc1ccc(O)c(C)c1)C1CCCCC1 ZINC000849307617 1322110054 /nfs/dbraw/zinc/11/00/54/1322110054.db2.gz AJQSTYDEEVWELM-MRXNPFEDSA-N 0 0 327.446 3.038 20 10 EGCDRN CCCc1cc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc(=O)[nH]1 ZINC000930905417 1329002752 /nfs/dbraw/zinc/00/27/52/1329002752.db2.gz FTACJDABMLFLHV-UHFFFAOYSA-N 0 0 341.455 3.468 20 10 EGCDRN CN(C)S(=O)(=O)c1cccc(CSc2ncc(Cl)s2)c1 ZINC000849999294 1322178800 /nfs/dbraw/zinc/17/88/00/1322178800.db2.gz XYNMWFXGILWXRK-UHFFFAOYSA-N 0 0 348.902 3.339 20 10 EGCDRN Cn1ncc(C2CC2)c1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000850380639 1322235912 /nfs/dbraw/zinc/23/59/12/1322235912.db2.gz ZTWGTGDAAQJZOS-UHFFFAOYSA-N 0 0 336.233 3.055 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000850538627 1322262912 /nfs/dbraw/zinc/26/29/12/1322262912.db2.gz JDLQXSXFZNGMQX-GDBMZVCRSA-N 0 0 346.471 3.236 20 10 EGCDRN C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850578776 1322272138 /nfs/dbraw/zinc/27/21/38/1322272138.db2.gz PWBWTPHXBXFSSM-YOEHRIQHSA-N 0 0 341.411 3.226 20 10 EGCDRN CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000922054790 1322445886 /nfs/dbraw/zinc/44/58/86/1322445886.db2.gz LMLVUJXWXBHXMB-KDOFPFPSSA-N 0 0 343.475 3.244 20 10 EGCDRN CCCCC[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851929806 1323115762 /nfs/dbraw/zinc/11/57/62/1323115762.db2.gz GJAVIVLUURTBMV-INIZCTEOSA-N 0 0 347.503 3.416 20 10 EGCDRN CO[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000851988406 1323126029 /nfs/dbraw/zinc/12/60/29/1323126029.db2.gz YCQUONFGXMUYLM-LJQANCHMSA-N 0 0 345.487 3.291 20 10 EGCDRN Cc1cc(CN(C)[C@H](c2nc[nH]n2)c2ccccc2)ccc1N(C)C ZINC000852151495 1323156407 /nfs/dbraw/zinc/15/64/07/1323156407.db2.gz IFSUSSJQDFYVCG-IBGZPJMESA-N 0 0 335.455 3.401 20 10 EGCDRN CC[C@H](C)C[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852150390 1323156510 /nfs/dbraw/zinc/15/65/10/1323156510.db2.gz WJXXVOFNKOEQPK-HOTGVXAUSA-N 0 0 347.503 3.272 20 10 EGCDRN CCN(C)c1ccc(CN2CCn3c(nnc3C(C)(C)C)C2)cc1 ZINC000852744243 1323233984 /nfs/dbraw/zinc/23/39/84/1323233984.db2.gz WBLLTWZEBRIXTQ-UHFFFAOYSA-N 0 0 327.476 3.048 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)OCc2ccc(C)cc2)c1 ZINC000860242712 1329182088 /nfs/dbraw/zinc/18/20/88/1329182088.db2.gz UAHBUSKELNJCEH-GJZGRUSLSA-N 0 0 343.423 3.492 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000853244359 1325070794 /nfs/dbraw/zinc/07/07/94/1325070794.db2.gz JLYKPQJIWBQOQM-IBGZPJMESA-N 0 0 345.487 3.243 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](C)[C@@H]2CCO)cc1 ZINC000853457121 1325095370 /nfs/dbraw/zinc/09/53/70/1325095370.db2.gz SOFYEVVDSGDZON-LPHOPBHVSA-N 0 0 347.503 3.225 20 10 EGCDRN Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853955268 1325191180 /nfs/dbraw/zinc/19/11/80/1325191180.db2.gz BHWWJNGBACCLKW-UHFFFAOYSA-N 0 0 341.411 3.476 20 10 EGCDRN O=[N+]([O-])c1sccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853956580 1325192531 /nfs/dbraw/zinc/19/25/31/1325192531.db2.gz 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455295067 /nfs/dbraw/zinc/29/50/67/455295067.db2.gz ONDXQHIERHONDX-KMUNFCNLSA-N 0 0 347.361 3.227 20 10 EGCDRN C[C@@H](SCc1ccccc1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183466479 455295483 /nfs/dbraw/zinc/29/54/83/455295483.db2.gz YBELVVRBRZJUHH-UONOGXRCSA-N 0 0 345.464 3.467 20 10 EGCDRN COc1ccc(C(C)(C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183470860 455296609 /nfs/dbraw/zinc/29/66/09/455296609.db2.gz YPDRDTQANQMLHR-ZDUSSCGKSA-N 0 0 343.423 3.131 20 10 EGCDRN CCn1cnnc1CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000158363633 455296813 /nfs/dbraw/zinc/29/68/13/455296813.db2.gz ICSYDAVWRFJWMY-AWEZNQCLSA-N 0 0 331.439 3.278 20 10 EGCDRN COc1cccc2c1CCN(C(=O)NCc1ccc(N(C)C)cc1)C2 ZINC000181262864 455309242 /nfs/dbraw/zinc/30/92/42/455309242.db2.gz XTCDMMBFUMLBGX-UHFFFAOYSA-N 0 0 339.439 3.029 20 10 EGCDRN Cc1ccc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)c(O)c1O ZINC000245607777 455339477 /nfs/dbraw/zinc/33/94/77/455339477.db2.gz NAEBZGKJILUJSK-PJIJBLCYSA-N 0 0 341.407 3.397 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(COC(C)(C)C)on2)cc1 ZINC000183927154 455340885 /nfs/dbraw/zinc/34/08/85/455340885.db2.gz WOXWVJFJNSMHLF-UHFFFAOYSA-N 0 0 345.443 3.328 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cn1cc(Cl)cn1 ZINC000265555626 455342689 /nfs/dbraw/zinc/34/26/89/455342689.db2.gz IBUIUQTYWLGCAX-UHFFFAOYSA-N 0 0 334.851 3.040 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 ZINC000265560788 455343305 /nfs/dbraw/zinc/34/33/05/455343305.db2.gz YHBOEBUKEAJNEV-YPCHGGDPSA-N 0 0 344.480 3.076 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000184032061 455348891 /nfs/dbraw/zinc/34/88/91/455348891.db2.gz KEIVVFKGWQPKJH-MJGOQNOKSA-N 0 0 343.471 3.044 20 10 EGCDRN Cc1ccnc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000184069335 455351606 /nfs/dbraw/zinc/35/16/06/455351606.db2.gz SSBUCVZOGOZOJP-MRXNPFEDSA-N 0 0 341.411 3.309 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)N(C)Cc3ccon3)cc2)CC1 ZINC000265795206 455382603 /nfs/dbraw/zinc/38/26/03/455382603.db2.gz 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/nfs/dbraw/zinc/47/23/87/455472387.db2.gz ZJKPOQJSATZGPZ-DNVCBOLYSA-N 0 0 344.430 3.255 20 10 EGCDRN COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000184946708 455476634 /nfs/dbraw/zinc/47/66/34/455476634.db2.gz GTVZSAKBAFLYHZ-UGSOOPFHSA-N 0 0 331.412 3.102 20 10 EGCDRN CCOC(=O)[C@H](NCc1cc(C)c(C)cc1O)c1cccc(O)c1 ZINC000191517806 455493207 /nfs/dbraw/zinc/49/32/07/455493207.db2.gz HVXHBQUDFAYBHX-GOSISDBHSA-N 0 0 329.396 3.109 20 10 EGCDRN C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 ZINC000267064888 455496677 /nfs/dbraw/zinc/49/66/77/455496677.db2.gz MSOYHYNLKKRDBR-MCIONIFRSA-N 0 0 334.435 3.102 20 10 EGCDRN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000185084204 455499394 /nfs/dbraw/zinc/49/93/94/455499394.db2.gz XVGFGWBPUMMWGJ-GFCCVEGCSA-N 0 0 326.375 3.271 20 10 EGCDRN Cc1nnc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000185332505 455541035 /nfs/dbraw/zinc/54/10/35/455541035.db2.gz ZZVLBXWAWOXGNI-UHFFFAOYSA-N 0 0 330.457 3.109 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3(C)CCC3)cc2F)C[C@@H](C)O1 ZINC000267356997 455546160 /nfs/dbraw/zinc/54/61/60/455546160.db2.gz NAUOYDSUGYHBKR-ZIAGYGMSSA-N 0 0 334.435 3.246 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185376463 455550496 /nfs/dbraw/zinc/55/04/96/455550496.db2.gz IZMZGONTWNSWPR-QJPTWQEYSA-N 0 0 347.286 3.459 20 10 EGCDRN COc1ccc(N2CCN(c3ccnc4ccncc43)CC2)cc1F ZINC000267913805 455564423 /nfs/dbraw/zinc/56/44/23/455564423.db2.gz GXKXFVYVPUYABI-UHFFFAOYSA-N 0 0 338.386 3.104 20 10 EGCDRN CCN(CC)C(=O)CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000267947001 455567597 /nfs/dbraw/zinc/56/75/97/455567597.db2.gz LBDKJCHFWHQCSE-UHFFFAOYSA-N 0 0 347.503 3.138 20 10 EGCDRN CC[C@H]1CC[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)O1 ZINC000268194354 455615400 /nfs/dbraw/zinc/61/54/00/455615400.db2.gz FHZFTECWRPUULX-ZFWWWQNUSA-N 0 0 336.395 3.292 20 10 EGCDRN CC[C@@H]1CC[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)O1 ZINC000268194352 455615850 /nfs/dbraw/zinc/61/58/50/455615850.db2.gz FHZFTECWRPUULX-HIFRSBDPSA-N 0 0 336.395 3.292 20 10 EGCDRN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000185788879 455621964 /nfs/dbraw/zinc/62/19/64/455621964.db2.gz HKNOEGYESSSZKD-NXEZZACHSA-N 0 0 331.243 3.361 20 10 EGCDRN Cc1ccoc1CN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000292314563 455625855 /nfs/dbraw/zinc/62/58/55/455625855.db2.gz SNWHZQQLQWPMRY-VMPITWQZSA-N 0 0 340.423 3.096 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCO[C@H](C)C3)c2C)cc1 ZINC000271476800 455651469 /nfs/dbraw/zinc/65/14/69/455651469.db2.gz VRWUASTYNHPSKB-GDBMZVCRSA-N 0 0 342.439 3.400 20 10 EGCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2nncn2C(C)C)c1O ZINC000292400665 455651937 /nfs/dbraw/zinc/65/19/37/455651937.db2.gz LHLSZYVQMACCLU-UHFFFAOYSA-N 0 0 336.823 3.053 20 10 EGCDRN CC(C)[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000271532626 455675063 /nfs/dbraw/zinc/67/50/63/455675063.db2.gz OGVCSULIQAGUTI-HKUYNNGSSA-N 0 0 343.471 3.066 20 10 EGCDRN CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000284396157 455679110 /nfs/dbraw/zinc/67/91/10/455679110.db2.gz PMIMCMAOONBKSH-LJQANCHMSA-N 0 0 332.444 3.225 20 10 EGCDRN CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186030416 455680224 /nfs/dbraw/zinc/68/02/24/455680224.db2.gz ZYSPWJOYDMNNBK-BDAKNGLRSA-N 0 0 340.272 3.173 20 10 EGCDRN CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1=O ZINC000192998212 455732861 /nfs/dbraw/zinc/73/28/61/455732861.db2.gz HIQVPEWWUZNZGB-ZANVPECISA-N 0 0 331.243 3.359 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000268935334 455735873 /nfs/dbraw/zinc/73/58/73/455735873.db2.gz NUMIRSLZOGVGGA-UHFFFAOYSA-N 0 0 346.334 3.012 20 10 EGCDRN COc1ccc(N(CCC(C)C)C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000284824065 455747246 /nfs/dbraw/zinc/74/72/46/455747246.db2.gz QASABVXMNVLOHH-MRXNPFEDSA-N 0 0 339.501 3.373 20 10 EGCDRN Cc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])nc(N2CCCC2)n1 ZINC000292863832 455764161 /nfs/dbraw/zinc/76/41/61/455764161.db2.gz VOJNBVUMMUGNMT-UHFFFAOYSA-N 0 0 332.835 3.034 20 10 EGCDRN COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cn1 ZINC000284944542 455765113 /nfs/dbraw/zinc/76/51/13/455765113.db2.gz BKUBLXOCKNZBJL-UHFFFAOYSA-N 0 0 336.413 3.028 20 10 EGCDRN CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000186425955 455765301 /nfs/dbraw/zinc/76/53/01/455765301.db2.gz BYHPOIARPUOLND-BLLLJJGKSA-N 0 0 331.387 3.478 20 10 EGCDRN COCc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])o1 ZINC000278133817 455766188 /nfs/dbraw/zinc/76/61/88/455766188.db2.gz CQBIVYMCCYHZAD-UHFFFAOYSA-N 0 0 326.190 3.184 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC1Cc2ccccc2C1 ZINC000186507448 455782935 /nfs/dbraw/zinc/78/29/35/455782935.db2.gz XLGNAUFASNIZAV-UHFFFAOYSA-N 0 0 335.451 3.253 20 10 EGCDRN CCn1nc(C)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC000269093769 455787620 /nfs/dbraw/zinc/78/76/20/455787620.db2.gz XUTKNWLRQIYDJK-UHFFFAOYSA-N 0 0 327.428 3.034 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(OC(C)(C)C)cn1 ZINC000293513620 455789323 /nfs/dbraw/zinc/78/93/23/455789323.db2.gz PTWBDGAGFNKVJS-LBPRGKRZSA-N 0 0 344.411 3.031 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)COc1cccc(C=O)c1 ZINC000269113167 455791784 /nfs/dbraw/zinc/79/17/84/455791784.db2.gz CORGGEDXORTJOS-UHFFFAOYSA-N 0 0 327.380 3.022 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000271921603 455799675 /nfs/dbraw/zinc/79/96/75/455799675.db2.gz UMNOODBZVDOJRQ-KXBFYZLASA-N 0 0 330.472 3.495 20 10 EGCDRN CCC1(CC)CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000294099493 455805258 /nfs/dbraw/zinc/80/52/58/455805258.db2.gz IWUWYCVSJKAOAQ-JXMROGBWSA-N 0 0 328.456 3.185 20 10 EGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)N(C)C2CCCCC2)s1 ZINC000294909460 455832273 /nfs/dbraw/zinc/83/22/73/455832273.db2.gz BJINFBGEPXOYPH-SNVBAGLBSA-N 0 0 342.486 3.201 20 10 EGCDRN COc1ccc(O)c([C@H](C)Nc2cnn(C3CCOCC3)c2C)c1 ZINC000295170947 455841682 /nfs/dbraw/zinc/84/16/82/455841682.db2.gz UGHGEYAVSKKMIW-LBPRGKRZSA-N 0 0 331.416 3.430 20 10 EGCDRN CCC(CC)n1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000269428327 455847043 /nfs/dbraw/zinc/84/70/43/455847043.db2.gz GILLZCZZMJQANY-UHFFFAOYSA-N 0 0 342.443 3.349 20 10 EGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1nc(C2CCCCC2)no1 ZINC000295378711 455847756 /nfs/dbraw/zinc/84/77/56/455847756.db2.gz SDLPLEVWMFHFEU-VIFPVBQESA-N 0 0 349.362 3.159 20 10 EGCDRN CCCCC[C@H](C)NC(=O)CSc1ncc(C(=O)OC)s1 ZINC000295416490 455848877 /nfs/dbraw/zinc/84/88/77/455848877.db2.gz XTXOOXNUDMOEAR-JTQLQIEISA-N 0 0 330.475 3.107 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@H](C)CCc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000278917441 455852491 /nfs/dbraw/zinc/85/24/91/455852491.db2.gz UHGPVQDGKYMJOF-GFCCVEGCSA-N 0 0 346.383 3.126 20 10 EGCDRN O=C(NCc1ccccc1O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000270002443 455854954 /nfs/dbraw/zinc/85/49/54/455854954.db2.gz XAVAKDDMWMWZJG-YJBOKZPZSA-N 0 0 340.423 3.359 20 10 EGCDRN CCN(Cc1ncc(C2OCCO2)s1)Cc1ccc(N(C)C)cc1 ZINC000279069583 455856697 /nfs/dbraw/zinc/85/66/97/455856697.db2.gz RMKDGWVQPIVGBX-UHFFFAOYSA-N 0 0 347.484 3.277 20 10 EGCDRN O[C@@H](COCc1ccccc1F)COc1ccc(N2CCCC2)cc1 ZINC000270055730 455867421 /nfs/dbraw/zinc/86/74/21/455867421.db2.gz BLIOQZGWEPIAKX-SFHVURJKSA-N 0 0 345.414 3.382 20 10 EGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCC(N)=O ZINC000280072454 455884569 /nfs/dbraw/zinc/88/45/69/455884569.db2.gz BYBQHBOFAFYMNB-OAHLLOKOSA-N 0 0 340.423 3.138 20 10 EGCDRN CC[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc(F)cc1[O-] ZINC000285736230 455906591 /nfs/dbraw/zinc/90/65/91/455906591.db2.gz RBAWQXHMVUBWEE-CYBMUJFWSA-N 0 0 342.212 3.231 20 10 EGCDRN CC[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(C)cc1O ZINC000280198616 455914764 /nfs/dbraw/zinc/91/47/64/455914764.db2.gz SRUFQTNIUVDRMB-GOSISDBHSA-N 0 0 339.439 3.200 20 10 EGCDRN CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000280210161 455917997 /nfs/dbraw/zinc/91/79/97/455917997.db2.gz TZZROLANKZWWJC-SNVBAGLBSA-N 0 0 343.445 3.237 20 10 EGCDRN CC[C@@H]([NH2+]CCCNC(=O)c1occc1C)c1ccc(F)cc1[O-] ZINC000286026377 455963398 /nfs/dbraw/zinc/96/33/98/455963398.db2.gz IYPLEPKHBIQXAZ-OAHLLOKOSA-N 0 0 334.391 3.294 20 10 EGCDRN C[C@@H]1OCC[C@@]12CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280423773 455968887 /nfs/dbraw/zinc/96/88/87/455968887.db2.gz IWIWDKXIICRVDT-OHUAYANFSA-N 0 0 346.254 3.467 20 10 EGCDRN Cn1cnc2cc(/C=C3/SC(N4CCCCC4)=NC3=O)ccc21 ZINC000270524546 455975270 /nfs/dbraw/zinc/97/52/70/455975270.db2.gz RXUBVNOYNWBHJA-XNTDXEJSSA-N 0 0 326.425 3.030 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1F ZINC000280529716 455991353 /nfs/dbraw/zinc/99/13/53/455991353.db2.gz NMXDGTLHRXJTPJ-HIFRSBDPSA-N 0 0 334.435 3.293 20 10 EGCDRN CC[C@@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(F)cc1O ZINC000286325125 456024289 /nfs/dbraw/zinc/02/42/89/456024289.db2.gz YDBYCQSAKQFKKD-MRXNPFEDSA-N 0 0 332.375 3.349 20 10 EGCDRN CC[C@@H](C)CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000286344027 456028832 /nfs/dbraw/zinc/02/88/32/456028832.db2.gz YKWQDZFJDNQBPR-CQSZACIVSA-N 0 0 336.451 3.229 20 10 EGCDRN CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000286902774 456056817 /nfs/dbraw/zinc/05/68/17/456056817.db2.gz DPNDGYCTCKQOPP-RWSFTLGLSA-N 0 0 348.270 3.385 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@](F)(CO)C2)c(C)n1-c1ccccc1C ZINC000287011910 456059568 /nfs/dbraw/zinc/05/95/68/456059568.db2.gz ZINBAECFNOUORN-HXUWFJFHSA-N 0 0 344.430 3.339 20 10 EGCDRN COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1cc(C)ccc1O ZINC000287366829 456067299 /nfs/dbraw/zinc/06/72/99/456067299.db2.gz HNZWWCBDFKPNSK-ZDUSSCGKSA-N 0 0 349.452 3.427 20 10 EGCDRN CN(C(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1)c1ccccc1 ZINC000280903992 456077737 /nfs/dbraw/zinc/07/77/37/456077737.db2.gz FQADEUDSEGWPNH-CQSZACIVSA-N 0 0 328.387 3.016 20 10 EGCDRN CN(C)c1ccc(CNc2ccc(C(=O)Nc3ccccc3)nn2)cc1 ZINC000301303517 456086016 /nfs/dbraw/zinc/08/60/16/456086016.db2.gz WLYRFDRIQDYSDJ-UHFFFAOYSA-N 0 0 347.422 3.407 20 10 EGCDRN OCC1CCN(c2ccc(CNc3nccnc3C(F)F)cc2)CC1 ZINC000288199822 456089433 /nfs/dbraw/zinc/08/94/33/456089433.db2.gz SMTFSVKYTRYRJP-UHFFFAOYSA-N 0 0 348.397 3.235 20 10 EGCDRN CO[C@H](C)C(=O)Nc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297147659 456132244 /nfs/dbraw/zinc/13/22/44/456132244.db2.gz ZTUXLMWZAJSSDZ-MLGOLLRUSA-N 0 0 326.396 3.465 20 10 EGCDRN COc1ccc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000301506431 456133125 /nfs/dbraw/zinc/13/31/25/456133125.db2.gz CWKWTJQHMHZCIP-UHFFFAOYSA-N 0 0 337.345 3.436 20 10 EGCDRN CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000297321248 456185887 /nfs/dbraw/zinc/18/58/87/456185887.db2.gz NKAPTTYJJMJKLV-VHSXEESVSA-N 0 0 336.310 3.309 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2nnc(C(F)F)n2n1 ZINC000301712542 456194680 /nfs/dbraw/zinc/19/46/80/456194680.db2.gz IIGUDJNJZJWZSD-UHFFFAOYSA-N 0 0 332.358 3.048 20 10 EGCDRN C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000273166806 456198081 /nfs/dbraw/zinc/19/80/81/456198081.db2.gz OGLWNPZNDNWAAJ-SJORKVTESA-N 0 0 345.487 3.291 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(F)c1F ZINC000263724002 456204239 /nfs/dbraw/zinc/20/42/39/456204239.db2.gz AFXRJLVEFCXXQT-UHFFFAOYSA-N 0 0 346.377 3.074 20 10 EGCDRN Cc1cc(C(=O)NC[C@H]2CCO[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000271306065 456213903 /nfs/dbraw/zinc/21/39/03/456213903.db2.gz HOVBYJVJCFFHIW-ZBFHGGJFSA-N 0 0 327.428 3.034 20 10 EGCDRN Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273429273 456230716 /nfs/dbraw/zinc/23/07/16/456230716.db2.gz VFCSVQRNOZGAET-GFCCVEGCSA-N 0 0 340.383 3.309 20 10 EGCDRN CCc1nnc(C)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000273445562 456231281 /nfs/dbraw/zinc/23/12/81/456231281.db2.gz DVVZBTYFLZAJKK-UHFFFAOYSA-N 0 0 338.455 3.218 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2cccs2)c1 ZINC000273522856 456236057 /nfs/dbraw/zinc/23/60/57/456236057.db2.gz UQPGXNLANUNCDX-BFQNTYOBSA-N 0 0 349.452 3.403 20 10 EGCDRN C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000273521509 456236421 /nfs/dbraw/zinc/23/64/21/456236421.db2.gz JSVVFOLNSHAPQS-IAGOWNOFSA-N 0 0 343.471 3.067 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2nc(C)c(C)s2)c1 ZINC000273591076 456238590 /nfs/dbraw/zinc/23/85/90/456238590.db2.gz PDTDUIWZQGABNS-NSHDSACASA-N 0 0 334.441 3.145 20 10 EGCDRN C[C@@H](O)CN(CCO)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000290119196 456245205 /nfs/dbraw/zinc/24/52/05/456245205.db2.gz DVQFHZNXPAJSQG-YYZBOFOMSA-N 0 0 342.399 3.309 20 10 EGCDRN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)[C@]12CCCO2 ZINC000274273935 456253537 /nfs/dbraw/zinc/25/35/37/456253537.db2.gz XAZNSACKIUZCNH-GLZXHMCRSA-N 0 0 325.836 3.423 20 10 EGCDRN Cc1n[nH]cc1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000274394596 456257852 /nfs/dbraw/zinc/25/78/52/456257852.db2.gz PCXARLPIEYDVBA-UHFFFAOYSA-N 0 0 342.443 3.468 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COc1cccnc1 ZINC000263925009 456266436 /nfs/dbraw/zinc/26/64/36/456266436.db2.gz QKPXHUBOSBBBNR-UHFFFAOYSA-N 0 0 339.439 3.109 20 10 EGCDRN COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000298350434 456433096 /nfs/dbraw/zinc/43/30/96/456433096.db2.gz LNMPYHXSENKZHP-UHFFFAOYSA-N 0 0 327.428 3.207 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccc2c1CNC2=O ZINC000352998312 456437198 /nfs/dbraw/zinc/43/71/98/456437198.db2.gz QQQKSLMXJWCSLK-UHFFFAOYSA-N 0 0 348.406 3.052 20 10 EGCDRN CCNC(=O)c1ccc(C)c(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000298704502 456521379 /nfs/dbraw/zinc/52/13/79/456521379.db2.gz OWJBOYNPETUHBH-UHFFFAOYSA-N 0 0 341.411 3.114 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)CNC(=O)CCC(C)C ZINC000282584084 456559933 /nfs/dbraw/zinc/55/99/33/456559933.db2.gz WIOGLICPDHICGB-UHFFFAOYSA-N 0 0 334.460 3.073 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccnc(OC)n1 ZINC000282646895 456579629 /nfs/dbraw/zinc/57/96/29/456579629.db2.gz LQQVCQHGKIRDRZ-UHFFFAOYSA-N 0 0 330.388 3.025 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000291298039 456595851 /nfs/dbraw/zinc/59/58/51/456595851.db2.gz QHSHSHOPRDASRF-VIFPVBQESA-N 0 0 326.170 3.149 20 10 EGCDRN CC(C)c1nn(C)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299179169 456627604 /nfs/dbraw/zinc/62/76/04/456627604.db2.gz ZQGPTTUEXFPDOI-UHFFFAOYSA-N 0 0 340.471 3.414 20 10 EGCDRN CCN(CC(=O)N[C@@H](C)c1cccs1)c1ccc(OC)c(OC)c1 ZINC000299267256 456646747 /nfs/dbraw/zinc/64/67/47/456646747.db2.gz HVOGGMKYVUMBET-ZDUSSCGKSA-N 0 0 348.468 3.469 20 10 EGCDRN COc1cc(NCc2cc3c(cc2O)OCO3)c(OC)cc1Cl ZINC000282883771 456655284 /nfs/dbraw/zinc/65/52/84/456655284.db2.gz XBBCOPOIKJLORQ-UHFFFAOYSA-N 0 0 337.759 3.404 20 10 EGCDRN COc1ccc2c(c1)CCCCN2Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000291603959 456691919 /nfs/dbraw/zinc/69/19/19/456691919.db2.gz QOTCMFRMRAYUPC-UHFFFAOYSA-N 0 0 327.428 3.068 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(CN2CCCC2)on1 ZINC000291764984 456749154 /nfs/dbraw/zinc/74/91/54/456749154.db2.gz VCAMNANLTQTGCA-UHFFFAOYSA-N 0 0 343.427 3.028 20 10 EGCDRN CCC[C@@H](C)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000299656472 456756121 /nfs/dbraw/zinc/75/61/21/456756121.db2.gz UKGUWTIAUIMJNW-MRXNPFEDSA-N 0 0 332.488 3.338 20 10 EGCDRN CN(C)c1ccc(CNc2nc(C(F)(F)F)nc3nc[nH]c32)cc1 ZINC000301067056 456788290 /nfs/dbraw/zinc/78/82/90/456788290.db2.gz DHSAGHJOXGVKAH-UHFFFAOYSA-N 0 0 336.321 3.050 20 10 EGCDRN CC[C@H](C)CONC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000291923096 456799704 /nfs/dbraw/zinc/79/97/04/456799704.db2.gz RVVBERQMWQNLIK-HOCLYGCPSA-N 0 0 336.432 3.061 20 10 EGCDRN C[C@H]1CCC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277428241 456821509 /nfs/dbraw/zinc/82/15/09/456821509.db2.gz LRJKAQBAHNNSOO-JOYOIKCWSA-N 0 0 327.222 3.143 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000352112734 457338265 /nfs/dbraw/zinc/33/82/65/457338265.db2.gz WLGCKKOYDKIFKM-UHFFFAOYSA-N 0 0 334.379 3.400 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)c3cc(C)ccc3F)CC2)cc1 ZINC000364100233 457480842 /nfs/dbraw/zinc/48/08/42/457480842.db2.gz HRYQDUHINABNQL-UHFFFAOYSA-N 0 0 342.414 3.495 20 10 EGCDRN CC(C)n1ncc2c1[C@@H](NC(=O)N(C)Cc1ccccc1O)CCC2 ZINC000375172203 457819479 /nfs/dbraw/zinc/81/94/79/457819479.db2.gz UEUVALPKJQJCAS-INIZCTEOSA-N 0 0 342.443 3.389 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)c3cc[nH]c3C(C)C)CC2)cc1 ZINC000375611449 457990426 /nfs/dbraw/zinc/99/04/26/457990426.db2.gz KUCIDWVANGJWSZ-UHFFFAOYSA-N 0 0 341.455 3.499 20 10 EGCDRN C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(Br)ccc2O)C1 ZINC000368131637 458014640 /nfs/dbraw/zinc/01/46/40/458014640.db2.gz AXWPYUDAGGQHLK-WFASDCNBSA-N 0 0 339.277 3.071 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@H](n3cncn3)C2)c(C)n1-c1cccc(C)c1 ZINC000368888279 458064269 /nfs/dbraw/zinc/06/42/69/458064269.db2.gz LIQYRKIZKPLBIE-SFHVURJKSA-N 0 0 349.438 3.081 20 10 EGCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000376121767 458203370 /nfs/dbraw/zinc/20/33/70/458203370.db2.gz ARGITULSWIIPMY-UHFFFAOYSA-N 0 0 337.335 3.050 20 10 EGCDRN Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)c(F)c2)no1 ZINC000377473532 458501220 /nfs/dbraw/zinc/50/12/20/458501220.db2.gz RJXFQVREKWMBOL-KRWDZBQOSA-N 0 0 346.406 3.235 20 10 EGCDRN COc1ccc(CNC(=O)NC2CC(C)(c3ccccc3)C2)c(O)c1 ZINC000373486961 458507421 /nfs/dbraw/zinc/50/74/21/458507421.db2.gz 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1303609154 /nfs/dbraw/zinc/60/91/54/1303609154.db2.gz XUMMCNLDOANBJN-LLVKDONJSA-N 0 0 331.347 3.291 20 10 EGCDRN COCc1nc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773017135 1303609478 /nfs/dbraw/zinc/60/94/78/1303609478.db2.gz SNFNFSGKSBXMHP-NSHDSACASA-N 0 0 333.457 3.155 20 10 EGCDRN COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773021022 1303610607 /nfs/dbraw/zinc/61/06/07/1303610607.db2.gz QPGWHDLTORFABG-NSHDSACASA-N 0 0 332.425 3.092 20 10 EGCDRN C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000773188750 1303640143 /nfs/dbraw/zinc/64/01/43/1303640143.db2.gz SDTALDHCHZNRPT-RDTXWAMCSA-N 0 0 339.439 3.117 20 10 EGCDRN Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773292132 1303657373 /nfs/dbraw/zinc/65/73/73/1303657373.db2.gz KQZKIEATUZSTAR-VXGBXAGGSA-N 0 0 330.432 3.479 20 10 EGCDRN C[C@H](NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773446099 1303681812 /nfs/dbraw/zinc/68/18/12/1303681812.db2.gz BZRFFVJVFCVLCP-FDQGKXFDSA-N 0 0 331.460 3.070 20 10 EGCDRN C[C@@H](NC(=O)c1nc2cccnc2s1)c1ccc(N(C)C)cc1 ZINC000773624599 1303716222 /nfs/dbraw/zinc/71/62/22/1303716222.db2.gz CNVHQZIFDHWSPW-LLVKDONJSA-N 0 0 326.425 3.248 20 10 EGCDRN CCN(C)c1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000773731023 1303730996 /nfs/dbraw/zinc/73/09/96/1303730996.db2.gz LCNZBSAHXZXZMR-UHFFFAOYSA-N 0 0 336.439 3.424 20 10 EGCDRN Cc1ccc(Cl)c(OCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000773740628 1303732912 /nfs/dbraw/zinc/73/29/12/1303732912.db2.gz FTESNCOESXHPRJ-GFCCVEGCSA-N 0 0 349.814 3.186 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1coc2cc(F)ccc12 ZINC000773759925 1303736325 /nfs/dbraw/zinc/73/63/25/1303736325.db2.gz ALPAKKBUQGKJHV-LLVKDONJSA-N 0 0 343.354 3.273 20 10 EGCDRN Cc1ccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Cl)c1 ZINC000773763248 1303736416 /nfs/dbraw/zinc/73/64/16/1303736416.db2.gz OEUFUYAAFYXCMA-GFCCVEGCSA-N 0 0 333.815 3.350 20 10 EGCDRN CC(C)Oc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773762731 1303736526 /nfs/dbraw/zinc/73/65/26/1303736526.db2.gz JKKTVINSOSGJRW-ZDUSSCGKSA-N 0 0 329.396 3.246 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000773994943 1303763107 /nfs/dbraw/zinc/76/31/07/1303763107.db2.gz QGRJDXRXELGJSA-ZDUSSCGKSA-N 0 0 327.384 3.460 20 10 EGCDRN CCCCCC[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000774706099 1303851083 /nfs/dbraw/zinc/85/10/83/1303851083.db2.gz KMTDAJZSVMKOHX-INIZCTEOSA-N 0 0 347.503 3.186 20 10 EGCDRN COC(=O)c1ccc(CN2CCOc3cc(N(C)C)ccc32)c(F)c1 ZINC000774754081 1303855989 /nfs/dbraw/zinc/85/59/89/1303855989.db2.gz XINQFMXBTWAROW-UHFFFAOYSA-N 0 0 344.386 3.077 20 10 EGCDRN COc1c(O)c(CNc2cccc(-n3cccn3)c2)ccc1[N+](=O)[O-] ZINC000774822447 1303863686 /nfs/dbraw/zinc/86/36/86/1303863686.db2.gz XLMVHLLGLJFGDB-UHFFFAOYSA-N 0 0 340.339 3.107 20 10 EGCDRN COc1c(F)cc(F)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774937928 1303879928 /nfs/dbraw/zinc/87/99/28/1303879928.db2.gz SMOOLWARECITJS-UHFFFAOYSA-N 0 0 340.282 3.208 20 10 EGCDRN COc1c(O)c(CNc2cnn(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000775040606 1303892943 /nfs/dbraw/zinc/89/29/43/1303892943.db2.gz SGAVEYITJKKKNZ-UHFFFAOYSA-N 0 0 340.339 3.107 20 10 EGCDRN COc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])c(O)c1 ZINC000775144958 1303914986 /nfs/dbraw/zinc/91/49/86/1303914986.db2.gz GLRGHFUJTWKJLO-UHFFFAOYSA-N 0 0 338.201 3.159 20 10 EGCDRN CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775199840 1303924152 /nfs/dbraw/zinc/92/41/52/1303924152.db2.gz GOHQUJVYYHAWDG-QGZVFWFLSA-N 0 0 325.836 3.457 20 10 EGCDRN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1nccn1C ZINC000775378873 1303949788 /nfs/dbraw/zinc/94/97/88/1303949788.db2.gz OFMSTSUEAUUWAQ-KFWWJZLASA-N 0 0 346.450 3.024 20 10 EGCDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(=O)[nH]1 ZINC000775406561 1303958441 /nfs/dbraw/zinc/95/84/41/1303958441.db2.gz YGNWHZNVVGZNPX-ZDUSSCGKSA-N 0 0 327.428 3.468 20 10 EGCDRN C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccc(N(C)C)cc1 ZINC000775406328 1303958510 /nfs/dbraw/zinc/95/85/10/1303958510.db2.gz XEHTXAWTOMTVQB-JTUUTPGSSA-N 0 0 328.456 3.325 20 10 EGCDRN C[C@@H](NC(=O)C(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775405824 1303958662 /nfs/dbraw/zinc/95/86/62/1303958662.db2.gz VLJDEVLJPMOBKE-GFCCVEGCSA-N 0 0 330.815 3.466 20 10 EGCDRN CC[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775527547 1303979506 /nfs/dbraw/zinc/97/95/06/1303979506.db2.gz RAKPQEPRGPCMIH-NSHDSACASA-N 0 0 342.230 3.261 20 10 EGCDRN C[C@H](NC(=O)Nc1cnn(CC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000775651218 1304004975 /nfs/dbraw/zinc/00/49/75/1304004975.db2.gz SJAOAICBOIICFD-ZDUSSCGKSA-N 0 0 327.432 3.242 20 10 EGCDRN Cc1noc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000775654085 1304005138 /nfs/dbraw/zinc/00/51/38/1304005138.db2.gz FGLCZVUMEWSSPF-JTQLQIEISA-N 0 0 325.771 3.256 20 10 EGCDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(N(C)C)n1 ZINC000775684002 1304014483 /nfs/dbraw/zinc/01/44/83/1304014483.db2.gz YDSADZITUFPQJH-AWEZNQCLSA-N 0 0 341.459 3.405 20 10 EGCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(N(C)C)n1 ZINC000775684004 1304014670 /nfs/dbraw/zinc/01/46/70/1304014670.db2.gz YDSADZITUFPQJH-CQSZACIVSA-N 0 0 341.459 3.405 20 10 EGCDRN COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775701443 1304018622 /nfs/dbraw/zinc/01/86/22/1304018622.db2.gz WEORSELHTMRYPR-MRXNPFEDSA-N 0 0 339.794 3.359 20 10 EGCDRN C[C@H](NC(=O)Nc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000775753183 1304028984 /nfs/dbraw/zinc/02/89/84/1304028984.db2.gz FPXPXVOYRWNDNP-ZDUSSCGKSA-N 0 0 327.432 3.096 20 10 EGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCc3c2cccc3Cl)c1 ZINC000775779911 1304036127 /nfs/dbraw/zinc/03/61/27/1304036127.db2.gz JMTNZZOHDLKXEB-OAHLLOKOSA-N 0 0 331.799 3.400 20 10 EGCDRN C[C@H](NCc1csc(-c2cnn(C)c2)n1)c1ccc(N(C)C)cc1 ZINC000775828012 1304045778 /nfs/dbraw/zinc/04/57/78/1304045778.db2.gz OXOMJMBYKTWRGK-ZDUSSCGKSA-N 0 0 341.484 3.460 20 10 EGCDRN C[C@@H](NCc1nnc(C2CC2)n1C1CC1)c1ccc(N(C)C)cc1 ZINC000775830171 1304045791 /nfs/dbraw/zinc/04/57/91/1304045791.db2.gz FDIHHNYMLWKFDL-CYBMUJFWSA-N 0 0 325.460 3.407 20 10 EGCDRN C[C@@H](NC(=O)Nc1ccnn1CC1CC1)c1ccc(N(C)C)cc1 ZINC000776030420 1304084019 /nfs/dbraw/zinc/08/40/19/1304084019.db2.gz DUOHPIPRBBWGGK-CYBMUJFWSA-N 0 0 327.432 3.242 20 10 EGCDRN O=C1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCN1Cc1ccccc1 ZINC000776152300 1304102930 /nfs/dbraw/zinc/10/29/30/1304102930.db2.gz GGIMMCBIMVHGNL-MRXNPFEDSA-N 0 0 348.805 3.075 20 10 EGCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000776308840 1304131268 /nfs/dbraw/zinc/13/12/68/1304131268.db2.gz WHDOQIRPXRXTNL-AIANPOQGSA-N 0 0 348.462 3.492 20 10 EGCDRN C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000776404653 1304151146 /nfs/dbraw/zinc/15/11/46/1304151146.db2.gz HYPUNPFJHHBHNG-JTQLQIEISA-N 0 0 349.337 3.430 20 10 EGCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1C1CCCCC1 ZINC000776490075 1304165317 /nfs/dbraw/zinc/16/53/17/1304165317.db2.gz DZXNOVOEVJYAHZ-UHFFFAOYSA-N 0 0 343.427 3.080 20 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NNCVYPKMNJLFRE-UHFFFAOYSA-N 0 0 334.213 3.322 20 10 EGCDRN Cc1ccc(C)n1-c1sccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778913672 1304507922 /nfs/dbraw/zinc/50/79/22/1304507922.db2.gz AQJRIPPINRGUQQ-UHFFFAOYSA-N 0 0 342.420 3.497 20 10 EGCDRN CN(C)CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC000779172291 1304537967 /nfs/dbraw/zinc/53/79/67/1304537967.db2.gz POSLEDOTAYSLQS-UHFFFAOYSA-N 0 0 341.839 3.260 20 10 EGCDRN COc1cc(OC)c(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1Cl ZINC000779472992 1304576363 /nfs/dbraw/zinc/57/63/63/1304576363.db2.gz CXQSUHBOYGNUGE-XQRVVYSFSA-N 0 0 349.770 3.420 20 10 EGCDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000779497041 1304577936 /nfs/dbraw/zinc/57/79/36/1304577936.db2.gz DEQPDMCKGKCGTI-UHFFFAOYSA-N 0 0 340.383 3.420 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000779497172 1304578166 /nfs/dbraw/zinc/57/81/66/1304578166.db2.gz DRCMUUSYXNYUKN-UFRMUOTOSA-N 0 0 343.354 3.280 20 10 EGCDRN CCC[N@@H+]1Cc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2C1 ZINC000779514699 1304579557 /nfs/dbraw/zinc/57/95/57/1304579557.db2.gz QGLHNLXGSNHCMT-VQHVLOKHSA-N 0 0 338.407 3.475 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc(-c2ccc[nH]2)cs1 ZINC000779514321 1304579787 /nfs/dbraw/zinc/57/97/87/1304579787.db2.gz OKTSCXFMJUVGIC-XQRVVYSFSA-N 0 0 327.365 3.201 20 10 EGCDRN COc1ccccc1CC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779514813 1304579938 /nfs/dbraw/zinc/57/99/38/1304579938.db2.gz NESWYPFIDIWZRB-PKNBQFBNSA-N 0 0 341.407 3.257 20 10 EGCDRN CC[C@@]1(CO)CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000779660005 1304591118 /nfs/dbraw/zinc/59/11/18/1304591118.db2.gz FUWXJSRNWPNRCK-HNAYVOBHSA-N 0 0 333.476 3.008 20 10 EGCDRN CC[C@@]1(CO)CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000779660004 1304591308 /nfs/dbraw/zinc/59/13/08/1304591308.db2.gz FUWXJSRNWPNRCK-DNVCBOLYSA-N 0 0 333.476 3.008 20 10 EGCDRN CCc1ccc(NC(=S)NNc2cccc(C(=O)OC)c2)cc1 ZINC000779727130 1304595761 /nfs/dbraw/zinc/59/57/61/1304595761.db2.gz JOMAJFSIEALFSM-UHFFFAOYSA-N 0 0 329.425 3.349 20 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COc1ccc2c(c1OCC[C@@H](C)OC)C(=O)c1ccccc1C2=O ZINC001229243449 1375793761 /nfs/dbraw/zinc/79/37/61/1375793761.db2.gz UVENNOJCZONCRZ-GFCCVEGCSA-N 0 0 340.375 3.274 20 10 EGCDRN Cc1cc(OC2CCOCC2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229541073 1375853167 /nfs/dbraw/zinc/85/31/67/1375853167.db2.gz GWSDNCZEXLTZJV-UHFFFAOYSA-N 0 0 338.359 3.034 20 10 EGCDRN Cc1cc(C)c(CNC(=O)Nc2cc(F)cc3c2OCOC3)c(O)c1 ZINC001188901352 1388405293 /nfs/dbraw/zinc/40/52/93/1388405293.db2.gz WYXYOJXXTPTLTD-UHFFFAOYSA-N 0 0 346.358 3.336 20 10 EGCDRN CN1CCO[C@H](COC2=CC(=O)C=CC2=NNc2ccccc2)C1=O ZINC001229815669 1375898482 /nfs/dbraw/zinc/89/84/82/1375898482.db2.gz JHJKRXALMSXWEF-NHKNDPDJSA-N 0 0 341.367 3.044 20 10 EGCDRN O=C(COC(=O)C1(C(F)(F)F)CCCCC1)c1ccc(O)c(O)c1 ZINC001327175494 1388424395 /nfs/dbraw/zinc/42/43/95/1388424395.db2.gz HOHRQOPKFGVOMH-UHFFFAOYSA-N 0 0 346.301 3.337 20 10 EGCDRN CCOc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001231466417 1376246748 /nfs/dbraw/zinc/24/67/48/1376246748.db2.gz YQMXHGGTBYUZTA-UHFFFAOYSA-N 0 0 346.452 3.167 20 10 EGCDRN Cc1cccc(N2CC[NH+](Cc3cc(C(=O)[O-])ccc3O)CC2)c1C ZINC001231565528 1376266516 /nfs/dbraw/zinc/26/65/16/1376266516.db2.gz ZXLOXWLEDMALAN-UHFFFAOYSA-N 0 0 340.423 3.029 20 10 EGCDRN COc1ccc(N2CCN(Cc3cccnc3OC(C)C)CC2)cc1 ZINC001231755147 1376316661 /nfs/dbraw/zinc/31/66/61/1376316661.db2.gz QCIPZFXAYOOVBE-UHFFFAOYSA-N 0 0 341.455 3.200 20 10 EGCDRN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001231909981 1376345143 /nfs/dbraw/zinc/34/51/43/1376345143.db2.gz IPWXHARCPGXQKC-CALCHBBNSA-N 0 0 343.858 3.004 20 10 EGCDRN CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]21 ZINC001231910960 1376345400 /nfs/dbraw/zinc/34/54/00/1376345400.db2.gz WYAFFGFBZIKVKO-DABQJJPHSA-N 0 0 338.835 3.001 20 10 EGCDRN CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231911352 1376346271 /nfs/dbraw/zinc/34/62/71/1376346271.db2.gz KUMNJJQIUSMAFE-GOSISDBHSA-N 0 0 336.863 3.269 20 10 EGCDRN OC[C@@H]1CCC[C@H](C(F)(F)F)N1Cc1cc(Cl)c(O)cc1O ZINC001232259887 1376425441 /nfs/dbraw/zinc/42/54/41/1376425441.db2.gz MSXAIEQUFIFFMY-TVQRCGJNSA-N 0 0 339.741 3.029 20 10 EGCDRN COc1cc([O-])c(C[N@H+](C(C)C)C2CCN(C)CC2)cc1Cl ZINC001232270356 1376427938 /nfs/dbraw/zinc/42/79/38/1376427938.db2.gz AJUVHAWZQZUTHO-UHFFFAOYSA-N 0 0 326.868 3.359 20 10 EGCDRN COc1cc(O)c(CN2CC(Oc3ccc(F)cc3)C2)cc1Cl ZINC001232270023 1376428222 /nfs/dbraw/zinc/42/82/22/1376428222.db2.gz PVDHXXHNAPDBAL-UHFFFAOYSA-N 0 0 337.778 3.457 20 10 EGCDRN CCOc1ccc(N2CCN(Cc3cc(O)cc(OC)c3)CC2)cc1 ZINC001232806204 1376518723 /nfs/dbraw/zinc/51/87/23/1376518723.db2.gz BRLOIABXBVDWPX-UHFFFAOYSA-N 0 0 342.439 3.122 20 10 EGCDRN CC(C)O[C@H]1CC[N@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029416 1376556381 /nfs/dbraw/zinc/55/63/81/1376556381.db2.gz DNHXIKOKNGAYRC-NSHDSACASA-N 0 0 332.213 3.293 20 10 EGCDRN O=C1OC2(CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)c2ccccc21 ZINC001233077573 1376564270 /nfs/dbraw/zinc/56/42/70/1376564270.db2.gz SDFSLQBBMMLAIX-UHFFFAOYSA-N 0 0 345.345 3.332 20 10 EGCDRN CCOc1cccc(N2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001233078183 1376565144 /nfs/dbraw/zinc/56/51/44/1376565144.db2.gz KPVHQYYEOBRRGM-UHFFFAOYSA-N 0 0 348.393 3.391 20 10 EGCDRN COC(=O)c1cc(Br)c([O-])c(C[N@H+](C)CC(C)(C)C)c1 ZINC001233307800 1376607108 /nfs/dbraw/zinc/60/71/08/1376607108.db2.gz QOTAKWMHHYDLLF-UHFFFAOYSA-N 0 0 344.249 3.419 20 10 EGCDRN COC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc(F)c2F)C[C@@H]1c1ccccc1 ZINC001233336314 1376618189 /nfs/dbraw/zinc/61/81/89/1376618189.db2.gz HPLDNZLRKLZDHU-KGLIPLIRSA-N 0 0 347.361 3.059 20 10 EGCDRN CCCc1noc(C2CC[NH+](Cc3c([O-])ccc(F)c3F)CC2)n1 ZINC001233335478 1376619198 /nfs/dbraw/zinc/61/91/98/1376619198.db2.gz WYQWZKXHKKLZTK-UHFFFAOYSA-N 0 0 337.370 3.386 20 10 EGCDRN CC(C)N(Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CC[NH2+]C1 ZINC001236525622 1376955997 /nfs/dbraw/zinc/95/59/97/1376955997.db2.gz AEVHGVKHSIYYIP-GFCCVEGCSA-N 0 0 347.684 3.380 20 10 EGCDRN CCOc1ccc(CN2[C@@H](C(F)(F)F)CCC[C@H]2CO)c(O)c1 ZINC001237050933 1376972005 /nfs/dbraw/zinc/97/20/05/1376972005.db2.gz YQRMDCAEWMKISG-SWLSCSKDSA-N 0 0 333.350 3.069 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCc3ccc(O)cc32)cc1F ZINC001261655398 1377125712 /nfs/dbraw/zinc/12/57/12/1377125712.db2.gz VNHSZQVWXQUTRX-QGZVFWFLSA-N 0 0 343.402 3.084 20 10 EGCDRN CCCCCc1ccc(C(=O)NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001189205112 1388484382 /nfs/dbraw/zinc/48/43/82/1388484382.db2.gz MZZWVKUMFHCKPY-UHFFFAOYSA-N 0 0 341.407 3.443 20 10 EGCDRN COc1ccc(N2CCN(Cc3cnn(C(C)C)c3)CC2)c(C)c1 ZINC001137081629 1377475014 /nfs/dbraw/zinc/47/50/14/1377475014.db2.gz OCJLMZJVQVFMGA-UHFFFAOYSA-N 0 0 328.460 3.103 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC1CCOCC1 ZINC001327358690 1388505816 /nfs/dbraw/zinc/50/58/16/1388505816.db2.gz CKWYFJOIJSQKFS-MRXNPFEDSA-N 0 0 347.503 3.108 20 10 EGCDRN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137838719 1377627123 /nfs/dbraw/zinc/62/71/23/1377627123.db2.gz IRZOZYHKFVRSET-ZDUSSCGKSA-N 0 0 338.423 3.411 20 10 EGCDRN O=C(Nc1ccccc1)NC1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137841677 1377628378 /nfs/dbraw/zinc/62/83/78/1377628378.db2.gz POCOOPVLZVTIMJ-UHFFFAOYSA-N 0 0 343.402 3.317 20 10 EGCDRN O=C1c2ccccc2CN1C1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137841569 1377628580 /nfs/dbraw/zinc/62/85/80/1377628580.db2.gz KATITIKTBDMVFR-UHFFFAOYSA-N 0 0 340.398 3.152 20 10 EGCDRN COc1ccc(N2CC[NH+](Cc3c([O-])cccc3F)CC2)c(C)c1 ZINC001137841651 1377629217 /nfs/dbraw/zinc/62/92/17/1377629217.db2.gz OEJHJAWYIDUGLH-UHFFFAOYSA-N 0 0 330.403 3.171 20 10 EGCDRN CC(=O)N1CCN(Cc2cc(C)n(-c3ccccc3)c2C)C[C@@H]1C ZINC001137859262 1377632470 /nfs/dbraw/zinc/63/24/70/1377632470.db2.gz QLSBHBZCWAWTNT-INIZCTEOSA-N 0 0 325.456 3.147 20 10 EGCDRN Cc1cc(CN2CCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccccc1 ZINC001137859080 1377632526 /nfs/dbraw/zinc/63/25/26/1377632526.db2.gz HZUQFJNXDUSFPG-IBGZPJMESA-N 0 0 346.496 3.103 20 10 EGCDRN Cc1cc(CN(C)C2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC001137859224 1377632673 /nfs/dbraw/zinc/63/26/73/1377632673.db2.gz OMZSNDPINBNUAU-UHFFFAOYSA-N 0 0 346.496 3.103 20 10 EGCDRN CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138124024 1377681024 /nfs/dbraw/zinc/68/10/24/1377681024.db2.gz VTFZPLHUCKZSLS-GOSISDBHSA-N 0 0 336.407 3.117 20 10 EGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001138126740 1377681513 /nfs/dbraw/zinc/68/15/13/1377681513.db2.gz JHLRHTVFYYTSGE-BBRMVZONSA-N 0 0 347.459 3.084 20 10 EGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCOc2ccccc2C1 ZINC001139129017 1377834685 /nfs/dbraw/zinc/83/46/85/1377834685.db2.gz KUWCINPLKMYOCG-UHFFFAOYSA-N 0 0 337.375 3.202 20 10 EGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001139132024 1377835626 /nfs/dbraw/zinc/83/56/26/1377835626.db2.gz SGNMCXAPBNKKGM-OAHLLOKOSA-N 0 0 343.423 3.056 20 10 EGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cnccc2OC)C1 ZINC001139609089 1377917343 /nfs/dbraw/zinc/91/73/43/1377917343.db2.gz JUEPJDHBXBXTIM-UHFFFAOYSA-N 0 0 337.423 3.149 20 10 EGCDRN COc1ccc(N2CCN(Cc3ccnc(Cl)c3F)CC2)cc1 ZINC001139662545 1377928404 /nfs/dbraw/zinc/92/84/04/1377928404.db2.gz UKJDXFSNXPNVSS-UHFFFAOYSA-N 0 0 335.810 3.205 20 10 EGCDRN CCOC(=O)c1coc2c1CN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139674446 1377931291 /nfs/dbraw/zinc/93/12/91/1377931291.db2.gz ZYMNHILNMYJLHR-UHFFFAOYSA-N 0 0 328.412 3.347 20 10 EGCDRN C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c(F)ccc(F)c1[O-] ZINC001139683065 1377933561 /nfs/dbraw/zinc/93/35/61/1377933561.db2.gz HKTNZBKXMLIOLX-AWEZNQCLSA-N 0 0 332.394 3.377 20 10 EGCDRN [O-]c1c(F)ccc(F)c1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001139684484 1377933601 /nfs/dbraw/zinc/93/36/01/1377933601.db2.gz WKUBSOUOFVYWAH-KXBFYZLASA-N 0 0 344.405 3.377 20 10 EGCDRN COC(=O)[C@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001139689253 1377935122 /nfs/dbraw/zinc/93/51/22/1377935122.db2.gz GXGQNWLDPUIIKO-KBPBESRZSA-N 0 0 347.361 3.059 20 10 EGCDRN COc1ncc(Cl)cc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001139750443 1377946009 /nfs/dbraw/zinc/94/60/09/1377946009.db2.gz FZBVUYKDNLKAPR-UHFFFAOYSA-N 0 0 334.803 3.103 20 10 EGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cnc(Cl)nc2)C1 ZINC001139992454 1377988575 /nfs/dbraw/zinc/98/85/75/1377988575.db2.gz ISTNYMOPUURKBG-UHFFFAOYSA-N 0 0 342.830 3.189 20 10 EGCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2O)C(C)(C)C1 ZINC001140055313 1377996825 /nfs/dbraw/zinc/99/68/25/1377996825.db2.gz RADWLJDQHMZOQD-UHFFFAOYSA-N 0 0 338.423 3.363 20 10 EGCDRN C[C@@H]1CN(Cc2ccc(Cl)cc2O)Cc2nnc(C(F)(F)F)n21 ZINC001140464253 1378067285 /nfs/dbraw/zinc/06/72/85/1378067285.db2.gz IPGPSAZJQQFYEB-MRVPVSSYSA-N 0 0 346.740 3.233 20 10 EGCDRN CC(C)(C)OC(=O)N1CC2(CCN2Cc2ccc(Cl)cc2O)C1 ZINC001140463254 1378067496 /nfs/dbraw/zinc/06/74/96/1378067496.db2.gz YBQOKCDIQQRYOA-UHFFFAOYSA-N 0 0 338.835 3.241 20 10 EGCDRN C[C@@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)CCC[C@@]1(O)C(F)(F)F ZINC001140582262 1378088975 /nfs/dbraw/zinc/08/89/75/1378088975.db2.gz FVBXIAYKTKMKQZ-OTYXRUKQSA-N 0 0 339.304 3.196 20 10 EGCDRN CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001273304263 1378095864 /nfs/dbraw/zinc/09/58/64/1378095864.db2.gz LLCQKONZRPPWDG-OAHLLOKOSA-N 0 0 334.435 3.050 20 10 EGCDRN FC[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1(F)F ZINC001140659960 1378108226 /nfs/dbraw/zinc/10/82/26/1378108226.db2.gz AOQXGBIWVXHBHG-AWEZNQCLSA-N 0 0 346.368 3.089 20 10 EGCDRN Fc1cc(N2CCOCC2)ccc1CN1CCOc2ccccc2C1 ZINC001140661844 1378108752 /nfs/dbraw/zinc/10/87/52/1378108752.db2.gz VHBZXJSBYNFEPQ-UHFFFAOYSA-N 0 0 342.414 3.057 20 10 EGCDRN CC(C)c1nnc2n1CCN(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140924369 1378181854 /nfs/dbraw/zinc/18/18/54/1378181854.db2.gz HIESPODSKFDVPR-UHFFFAOYSA-N 0 0 333.867 3.137 20 10 EGCDRN CSc1ncc2c(n1)CN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140926785 1378183398 /nfs/dbraw/zinc/18/33/98/1378183398.db2.gz URZQRVWSGMRHMM-UHFFFAOYSA-N 0 0 348.903 3.476 20 10 EGCDRN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C[C@@H]1C ZINC001142534423 1378454557 /nfs/dbraw/zinc/45/45/57/1378454557.db2.gz IXQQWDPTFGKXFC-NWDGAFQWSA-N 0 0 327.371 3.082 20 10 EGCDRN COC(=O)C[C@H](C)CC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001144378830 1378722274 /nfs/dbraw/zinc/72/22/74/1378722274.db2.gz DOIHCRORUKJRKD-OAHLLOKOSA-N 0 0 340.423 3.391 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1ccccc1C ZINC001144532818 1378741572 /nfs/dbraw/zinc/74/15/72/1378741572.db2.gz XKEXUOJANZRGNK-IBGZPJMESA-N 0 0 326.440 3.143 20 10 EGCDRN CNc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(O)c1O ZINC001148218990 1379134648 /nfs/dbraw/zinc/13/46/48/1379134648.db2.gz QKPABYBXQSGLQL-UHFFFAOYSA-N 0 0 326.274 3.411 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001148218801 1379134693 /nfs/dbraw/zinc/13/46/93/1379134693.db2.gz LPIXZXPNFFVGBJ-FQEVSTJZSA-N 0 0 341.382 3.357 20 10 EGCDRN CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1cccc(O)c1O ZINC001148218458 1379134962 /nfs/dbraw/zinc/13/49/62/1379134962.db2.gz DDOONRMGDPSHHU-OAHLLOKOSA-N 0 0 327.380 3.221 20 10 EGCDRN NC(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001148530867 1379204287 /nfs/dbraw/zinc/20/42/87/1379204287.db2.gz SIIFBRIIRLXZDM-UHFFFAOYSA-N 0 0 345.402 3.215 20 10 EGCDRN COc1cc(C)ccc1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001148570886 1379214142 /nfs/dbraw/zinc/21/41/42/1379214142.db2.gz VCEZWBBESOFYRS-UHFFFAOYSA-N 0 0 327.380 3.003 20 10 EGCDRN Cc1ccnc(NC(=O)CN(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001327796698 1388597837 /nfs/dbraw/zinc/59/78/37/1388597837.db2.gz IIHKCEWIOPLHBP-UHFFFAOYSA-N 0 0 338.455 3.061 20 10 EGCDRN Cc1cc(C)c(CNC(=O)c2cc3cc(Cl)cnc3[nH]2)c(O)c1 ZINC001151309691 1379697400 /nfs/dbraw/zinc/69/74/00/1379697400.db2.gz QFHFDSJTWMXHDL-UHFFFAOYSA-N 0 0 329.787 3.469 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2n[nH]cc2c1F ZINC001151840295 1379795409 /nfs/dbraw/zinc/79/54/09/1379795409.db2.gz RMXCMLDGEYFCLT-UHFFFAOYSA-N 0 0 340.402 3.430 20 10 EGCDRN COCCn1c(C)c(C)c2cc(-c3nnc(-c4ccnnc4)o3)ccc21 ZINC001327959442 1388633842 /nfs/dbraw/zinc/63/38/42/1388633842.db2.gz BVGUYRDSDUKKMZ-UHFFFAOYSA-N 0 0 349.394 3.412 20 10 EGCDRN CCOc1ccc(N2CCN(C(=O)c3cc(C)cs3)CC2)cc1 ZINC001327982895 1388638928 /nfs/dbraw/zinc/63/89/28/1388638928.db2.gz MYSGPJXLAKHHJS-UHFFFAOYSA-N 0 0 330.453 3.418 20 10 EGCDRN CCN(Cc1ccccc1O)C(F)(F)Oc1cnc(Cl)cn1 ZINC001154890744 1380373652 /nfs/dbraw/zinc/37/36/52/1380373652.db2.gz MANCDZRHRDBICC-UHFFFAOYSA-N 0 0 329.734 3.287 20 10 EGCDRN O=C(NCc1ccccc1O)c1ccnc2c1ccc1cccnc12 ZINC001155815286 1380494349 /nfs/dbraw/zinc/49/43/49/1380494349.db2.gz AJMOEGPOHAHVFN-UHFFFAOYSA-N 0 0 329.359 3.419 20 10 EGCDRN COc1cccc2cnc(N3CCCc4cc(O)c(O)cc4C3)nc21 ZINC001155941757 1380506689 /nfs/dbraw/zinc/50/66/89/1380506689.db2.gz YEZNYIZJBPAQDZ-UHFFFAOYSA-N 0 0 337.379 3.002 20 10 EGCDRN Cc1ccc(Cl)nc1C(F)(F)NCCc1cc(O)c(O)cc1O ZINC001157245697 1380822598 /nfs/dbraw/zinc/82/25/98/1380822598.db2.gz IUCRWYQADNULRZ-UHFFFAOYSA-N 0 0 344.745 3.042 20 10 EGCDRN Cc1cc(NCCc2cc(O)c(O)cc2O)nc(-c2ccsc2)n1 ZINC001157245179 1380822865 /nfs/dbraw/zinc/82/28/65/1380822865.db2.gz NVQRJVIPAQPJTL-UHFFFAOYSA-N 0 0 343.408 3.285 20 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CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1F ZINC001593708809 954167847 /nfs/dbraw/zinc/16/78/47/954167847.db2.gz CISUIWIWEWXWTJ-NVXWUHKLSA-N 0 0 328.387 3.295 20 10 EGCDRN CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC001573997283 961847556 /nfs/dbraw/zinc/84/75/56/961847556.db2.gz QCCDJWOMWZLYGL-OCCSQVGLSA-N 0 0 330.350 3.114 20 10 EGCDRN CC(C)(CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000818629061 978922092 /nfs/dbraw/zinc/92/20/92/978922092.db2.gz MJSZGNFVFMNTOL-UHFFFAOYSA-N 0 0 349.431 3.176 20 10 EGCDRN CCCC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000840996892 979299177 /nfs/dbraw/zinc/29/91/77/979299177.db2.gz UGQAPAQJSYNABF-HNNXBMFYSA-N 0 0 349.431 3.318 20 10 EGCDRN CN(C)c1ccc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000844940224 979404000 /nfs/dbraw/zinc/40/40/00/979404000.db2.gz URYHELPRKFTSLD-LJQANCHMSA-N 0 0 330.403 3.024 20 10 EGCDRN C[C@@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001592783513 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/nfs/dbraw/zinc/47/45/74/455474574.db2.gz MZHQFMWAWUXXDX-UHFFFAOYSA-N 0 0 348.468 3.250 20 10 EGCDRN COc1ncccc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000184985069 455481473 /nfs/dbraw/zinc/48/14/73/455481473.db2.gz ZTRBNSWQVGBHKR-SNVBAGLBSA-N 0 0 337.217 3.409 20 10 EGCDRN C[C@@H](c1nnnn1C1CC1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000191895447 455529655 /nfs/dbraw/zinc/52/96/55/455529655.db2.gz KIKMJEWSBXXFPL-HNNXBMFYSA-N 0 0 340.475 3.191 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161101095 455534083 /nfs/dbraw/zinc/53/40/83/455534083.db2.gz SAZMYUVAGQSEDE-JQHSSLGASA-N 0 0 344.455 3.271 20 10 EGCDRN Cc1cnc([C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000267514812 455553104 /nfs/dbraw/zinc/55/31/04/455553104.db2.gz FZELHJHGZGAOMA-ZDUSSCGKSA-N 0 0 344.484 3.394 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CC=C(COC)CC2)cc1F ZINC000185399548 455554335 /nfs/dbraw/zinc/55/43/35/455554335.db2.gz SRRCBZABMWRNIW-UHFFFAOYSA-N 0 0 349.450 3.160 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCn1cccc1 ZINC000267785418 455555248 /nfs/dbraw/zinc/55/52/48/455555248.db2.gz ONBJRBLAQUMXAH-UHFFFAOYSA-N 0 0 328.460 3.174 20 10 EGCDRN CC(C)(C)c1cnc(SCc2nnnn2CC(F)(F)F)s1 ZINC000192137222 455563409 /nfs/dbraw/zinc/56/34/09/455563409.db2.gz VDIYQPHEWBNNEC-UHFFFAOYSA-N 0 0 337.396 3.282 20 10 EGCDRN C/C=C/C[C@H](CO)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000185693576 455598818 /nfs/dbraw/zinc/59/88/18/455598818.db2.gz WWIWCYGGXHOQKC-OAJJDEHYSA-N 0 0 345.487 3.049 20 10 EGCDRN CCCc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n(C)n1 ZINC000271402650 455624385 /nfs/dbraw/zinc/62/43/85/455624385.db2.gz QAOBWFOXQTZLDM-UHFFFAOYSA-N 0 0 339.443 3.071 20 10 EGCDRN COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000284230755 455654831 /nfs/dbraw/zinc/65/48/31/455654831.db2.gz DJUXSAIFFYWQFH-FZKQIMNGSA-N 0 0 332.419 3.493 20 10 EGCDRN COc1cccc(CNC(=O)Nc2cccc(-c3cc[nH]n3)c2)c1O ZINC000185991465 455669650 /nfs/dbraw/zinc/66/96/50/455669650.db2.gz COSCEQSDIMTANW-UHFFFAOYSA-N 0 0 338.367 3.113 20 10 EGCDRN Cc1csc(=O)n1CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000248083819 455679749 /nfs/dbraw/zinc/67/97/49/455679749.db2.gz WALBQTRCOOTERA-UHFFFAOYSA-N 0 0 345.512 3.341 20 10 EGCDRN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186030431 455680307 /nfs/dbraw/zinc/68/03/07/455680307.db2.gz ZYSPWJOYDMNNBK-IUCAKERBSA-N 0 0 340.272 3.173 20 10 EGCDRN CN(C)c1ccc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)cc1 ZINC000248154340 455690054 /nfs/dbraw/zinc/69/00/54/455690054.db2.gz YPMIZZCNHNWFNZ-UHFFFAOYSA-N 0 0 339.365 3.240 20 10 EGCDRN CCNC(=O)COc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1 ZINC000186263458 455728328 /nfs/dbraw/zinc/72/83/28/455728328.db2.gz LPVQUJVSVQFWCP-LBPRGKRZSA-N 0 0 332.375 3.219 20 10 EGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268948780 455740592 /nfs/dbraw/zinc/74/05/92/455740592.db2.gz CFCIMUBCPKSAIK-LBPRGKRZSA-N 0 0 326.234 3.346 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000193151709 455744165 /nfs/dbraw/zinc/74/41/65/455744165.db2.gz WBIQSOGNXOCKAH-UHFFFAOYSA-N 0 0 345.370 3.058 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccoc2Br)cc1 ZINC000193313215 455752539 /nfs/dbraw/zinc/75/25/39/455752539.db2.gz NJQOXZASXWQYCM-UHFFFAOYSA-N 0 0 337.217 3.380 20 10 EGCDRN COc1ccc(N[C@@H](C)c2cc(C)ccc2O)cc1-n1nnnc1C ZINC000186437459 455767409 /nfs/dbraw/zinc/76/74/09/455767409.db2.gz XWYNENJLDLZPBW-LBPRGKRZSA-N 0 0 339.399 3.166 20 10 EGCDRN Cc1cc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)ccc1N(C)C ZINC000293023214 455770923 /nfs/dbraw/zinc/77/09/23/455770923.db2.gz ILIZCDSHWIXRON-UHFFFAOYSA-N 0 0 346.496 3.097 20 10 EGCDRN C[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 ZINC000271815865 455772818 /nfs/dbraw/zinc/77/28/18/455772818.db2.gz BZSDMCGZVMINPH-OLZOCXBDSA-N 0 0 349.386 3.216 20 10 EGCDRN O=C(Cc1cnccc1Cl)NCc1c(O)ccc2c1CCCC2 ZINC000293837800 455798602 /nfs/dbraw/zinc/79/86/02/455798602.db2.gz WFANHXLDRMYVQF-UHFFFAOYSA-N 0 0 330.815 3.178 20 10 EGCDRN CO[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000294453019 455815737 /nfs/dbraw/zinc/81/57/37/455815737.db2.gz LGFJJRGOWKTCGS-FQEVSTJZSA-N 0 0 338.451 3.161 20 10 EGCDRN COc1ccc(N2CCN(C(=O)CCCC(=O)C(C)(C)C)CC2)cc1 ZINC000294509098 455817819 /nfs/dbraw/zinc/81/78/19/455817819.db2.gz XSHLSYWALHMMAW-UHFFFAOYSA-N 0 0 346.471 3.129 20 10 EGCDRN CN1CCCc2cc(CNC(=O)C3(C(F)(F)F)CCC3)ccc21 ZINC000294730980 455824824 /nfs/dbraw/zinc/82/48/24/455824824.db2.gz NIGKXDFHCGVHBU-UHFFFAOYSA-N 0 0 326.362 3.418 20 10 EGCDRN Cc1cc(O)c(CNc2ccc(C3CC(=O)NC(=O)C3)cc2)cc1C ZINC000295022726 455835499 /nfs/dbraw/zinc/83/54/99/455835499.db2.gz CKFQSUOKOLHGKD-UHFFFAOYSA-N 0 0 338.407 3.141 20 10 EGCDRN CCS[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278477798 455837382 /nfs/dbraw/zinc/83/73/82/455837382.db2.gz ITCKSLYSAXHILN-QWHCGFSZSA-N 0 0 340.445 3.463 20 10 EGCDRN CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000272074209 455838838 /nfs/dbraw/zinc/83/88/38/455838838.db2.gz PUZUUKMSFGXADD-GTNSWQLSSA-N 0 0 334.347 3.305 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCOC2(CCC2)C1 ZINC000269362374 455843891 /nfs/dbraw/zinc/84/38/91/455843891.db2.gz UUMFKFUSZFNFDI-OAHLLOKOSA-N 0 0 344.455 3.172 20 10 EGCDRN Cc1c(Cl)cccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000278701500 455844783 /nfs/dbraw/zinc/84/47/83/455844783.db2.gz FUUXIUVLIPSBPW-UHFFFAOYSA-N 0 0 344.842 3.415 20 10 EGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)s1 ZINC000295289255 455845237 /nfs/dbraw/zinc/84/52/37/455845237.db2.gz LFVLOYBRAVAJGF-AXFHLTTASA-N 0 0 342.486 3.105 20 10 EGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)s1 ZINC000295289262 455845410 /nfs/dbraw/zinc/84/54/10/455845410.db2.gz LFVLOYBRAVAJGF-MXWKQRLJSA-N 0 0 342.486 3.105 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cscc2C)cc1 ZINC000269615777 455850063 /nfs/dbraw/zinc/85/00/63/455850063.db2.gz QGJCNBJVIDFTMG-UHFFFAOYSA-N 0 0 345.468 3.158 20 10 EGCDRN C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCCCO1 ZINC000272119142 455851031 /nfs/dbraw/zinc/85/10/31/455851031.db2.gz PVQAOLXKJXXTKF-DNVCBOLYSA-N 0 0 345.487 3.384 20 10 EGCDRN Cc1cc(C(=O)NCc2nnc(C(C)C)[nH]2)c(C)n1-c1ccccc1 ZINC000295747317 455858606 /nfs/dbraw/zinc/85/86/06/455858606.db2.gz NVUIOCKOYVMOIJ-UHFFFAOYSA-N 0 0 337.427 3.266 20 10 EGCDRN Oc1cccc2c1[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)CC2 ZINC000295775958 455859600 /nfs/dbraw/zinc/85/96/00/455859600.db2.gz AOCCQAYELULELS-OALUTQOASA-N 0 0 338.451 3.043 20 10 EGCDRN CCOC(=O)Cc1cnc(NCc2c(O)cccc2Cl)s1 ZINC000295877427 455861724 /nfs/dbraw/zinc/86/17/24/455861724.db2.gz HLSQCLCTQRSVGJ-UHFFFAOYSA-N 0 0 326.805 3.220 20 10 EGCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc(Br)nc2)s1 ZINC000255739471 455873847 /nfs/dbraw/zinc/87/38/47/455873847.db2.gz CZTDNEWLBREEDF-XQRVVYSFSA-N 0 0 338.230 3.285 20 10 EGCDRN O=C1N[C@H](c2ccccc2)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000272196133 455874218 /nfs/dbraw/zinc/87/42/18/455874218.db2.gz DRYRJHNEAZSQPK-GOSISDBHSA-N 0 0 335.407 3.080 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)c2ccnc(F)c2F)C2CC2)cc1 ZINC000279816707 455875004 /nfs/dbraw/zinc/87/50/04/455875004.db2.gz XXNWGVQQCFWHHH-UHFFFAOYSA-N 0 0 331.366 3.231 20 10 EGCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000279981348 455879289 /nfs/dbraw/zinc/87/92/89/455879289.db2.gz LKDPJLNAUPAYEO-RDTXWAMCSA-N 0 0 339.439 3.129 20 10 EGCDRN CN(C)c1ccc(CN2CCC[C@@]23CCOC3=O)c(C(F)(F)F)c1 ZINC000280041199 455881304 /nfs/dbraw/zinc/88/13/04/455881304.db2.gz WRSZBXDTMQECFH-INIZCTEOSA-N 0 0 342.361 3.053 20 10 EGCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCC(N)=O ZINC000280072443 455884838 /nfs/dbraw/zinc/88/48/38/455884838.db2.gz BYBQHBOFAFYMNB-HNNXBMFYSA-N 0 0 340.423 3.138 20 10 EGCDRN C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280085704 455887478 /nfs/dbraw/zinc/88/74/78/455887478.db2.gz AJHLWCGEKDVKED-VXEWELBQSA-N 0 0 348.434 3.113 20 10 EGCDRN C[C@@H](c1cccs1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000280222350 455920653 /nfs/dbraw/zinc/92/06/53/455920653.db2.gz GMIOXZCUSZNZRR-AWEZNQCLSA-N 0 0 331.485 3.123 20 10 EGCDRN Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c(O)c1C ZINC000285833770 455925650 /nfs/dbraw/zinc/92/56/50/455925650.db2.gz XWBQUORXCHHFQK-AWEZNQCLSA-N 0 0 325.474 3.017 20 10 EGCDRN CC[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C)cc1O ZINC000280278201 455934754 /nfs/dbraw/zinc/93/47/54/455934754.db2.gz YKIBCLDBKLKZFJ-KBPBESRZSA-N 0 0 344.377 3.295 20 10 EGCDRN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000187763801 455950123 /nfs/dbraw/zinc/95/01/23/455950123.db2.gz AFGIQCQPQXVEDA-BZNIZROVSA-N 0 0 337.366 3.453 20 10 EGCDRN C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000187802151 455955007 /nfs/dbraw/zinc/95/50/07/455955007.db2.gz XPVURIBCIFNYQX-SSDOTTSWSA-N 0 0 335.276 3.274 20 10 EGCDRN CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000280381904 455959599 /nfs/dbraw/zinc/95/95/99/455959599.db2.gz WFBSHNVGDJFCKR-HNNXBMFYSA-N 0 0 328.796 3.345 20 10 EGCDRN CN(C)c1ccc(CNC(=O)c2cccc([C@@H]3CCOC3)c2)cc1F ZINC000270459929 455960552 /nfs/dbraw/zinc/96/05/52/455960552.db2.gz IOYZYLSRXZZXQA-QGZVFWFLSA-N 0 0 342.414 3.326 20 10 EGCDRN CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187849526 455961126 /nfs/dbraw/zinc/96/11/26/455961126.db2.gz WBCKEGXIMDDRFH-GHMZBOCLSA-N 0 0 336.386 3.051 20 10 EGCDRN CN(C)c1ccc(CNC(=O)CCc2ncc(C(C)(C)C)o2)cc1F ZINC000187983822 455975556 /nfs/dbraw/zinc/97/55/56/455975556.db2.gz KXERRWOFBFUIOJ-UHFFFAOYSA-N 0 0 347.434 3.426 20 10 EGCDRN Cc1noc(C)c1C(C)(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000280466754 455977683 /nfs/dbraw/zinc/97/76/83/455977683.db2.gz GCZPXHCAEPFDPT-UHFFFAOYSA-N 0 0 329.444 3.294 20 10 EGCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000270540469 455979177 /nfs/dbraw/zinc/97/91/77/455979177.db2.gz JPZMORFEMXSZQG-YEWWUXTCSA-N 0 0 335.444 3.130 20 10 EGCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000272560311 455993948 /nfs/dbraw/zinc/99/39/48/455993948.db2.gz LSTBQBJFUMCJOU-HZPDHXFCSA-N 0 0 332.488 3.194 20 10 EGCDRN COc1ccccc1[C@H](CNC(=O)c1cccc(O)c1O)OC(C)C ZINC000280593683 456008699 /nfs/dbraw/zinc/00/86/99/456008699.db2.gz XQFXBXGKEBFBMP-KRWDZBQOSA-N 0 0 345.395 3.003 20 10 EGCDRN CCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](O)c1ccccc1 ZINC000280692185 456032488 /nfs/dbraw/zinc/03/24/88/456032488.db2.gz WFAIJIZHXXSYKJ-QBIRRTQFSA-N 0 0 341.407 3.130 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NOC[C@H]1CCOC1 ZINC000188303970 456039758 /nfs/dbraw/zinc/03/97/58/456039758.db2.gz FMVILLMLRLRZDH-INIZCTEOSA-N 0 0 328.412 3.100 20 10 EGCDRN O=C(NCc1ccccc1O)Nc1ncc(C2CCOCC2)s1 ZINC000296805972 456042031 /nfs/dbraw/zinc/04/20/31/456042031.db2.gz OJTIQKDRIGVANY-UHFFFAOYSA-N 0 0 333.413 3.064 20 10 EGCDRN CCOC1(C(=O)NCc2cccc(Br)c2O)CCCC1 ZINC000286903738 456056806 /nfs/dbraw/zinc/05/68/06/456056806.db2.gz BUCKFLIYLFZMHJ-UHFFFAOYSA-N 0 0 342.233 3.120 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1COc1ccccc1 ZINC000296907472 456064152 /nfs/dbraw/zinc/06/41/52/456064152.db2.gz MEECZPWZAZZXSW-SOGBHIHOSA-N 0 0 339.391 3.181 20 10 EGCDRN Cc1cccnc1CCCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000296931664 456069724 /nfs/dbraw/zinc/06/97/24/456069724.db2.gz ZUJJIAAQYIZWRR-UHFFFAOYSA-N 0 0 344.434 3.027 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)Cn3cc(Cl)cn3)cc2)CC1 ZINC000287724060 456076217 /nfs/dbraw/zinc/07/62/17/456076217.db2.gz VAWBRCIKLFPMFX-UHFFFAOYSA-N 0 0 346.862 3.089 20 10 EGCDRN CCC[C@@]1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCOC1 ZINC000287790769 456079745 /nfs/dbraw/zinc/07/97/45/456079745.db2.gz ZFFUDYGCTWJEOL-LJQANCHMSA-N 0 0 331.460 3.045 20 10 EGCDRN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2CCCC2)cc1 ZINC000288192028 456089660 /nfs/dbraw/zinc/08/96/60/456089660.db2.gz RYYCEPJPYXTCKU-UHFFFAOYSA-N 0 0 329.404 3.332 20 10 EGCDRN C[C@H]1Oc2ccccc2[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000288532547 456098447 /nfs/dbraw/zinc/09/84/47/456098447.db2.gz ZWWMCDQNBKGZTJ-KUHUBIRLSA-N 0 0 339.439 3.416 20 10 EGCDRN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cscn1 ZINC000271024232 456100477 /nfs/dbraw/zinc/10/04/77/456100477.db2.gz 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COC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2C)SC1=S ZINC000281323543 456201811 /nfs/dbraw/zinc/20/18/11/456201811.db2.gz JLEFXZHKKNAMTE-UVTDQMKNSA-N 0 0 349.477 3.458 20 10 EGCDRN CC[C@H]1C[C@@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000273279225 456221694 /nfs/dbraw/zinc/22/16/94/456221694.db2.gz XWTIYOVKCMMOOQ-HOCLYGCPSA-N 0 0 332.444 3.073 20 10 EGCDRN C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273302179 456222783 /nfs/dbraw/zinc/22/27/83/456222783.db2.gz BOSBPQGSZXPTFN-IAQYHMDHSA-N 0 0 335.429 3.315 20 10 EGCDRN COc1ccc(O)c([C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273347151 456223394 /nfs/dbraw/zinc/22/33/94/456223394.db2.gz AZSRWPFTFFMVRB-LBPRGKRZSA-N 0 0 335.425 3.119 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273397513 456227679 /nfs/dbraw/zinc/22/76/79/456227679.db2.gz MEFFQUVPZHPXRC-QLJPJBMISA-N 0 0 336.775 3.338 20 10 EGCDRN COCC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccco1 ZINC000273411063 456228021 /nfs/dbraw/zinc/22/80/21/456228021.db2.gz HWYSOQUGQJCQNK-SWLSCSKDSA-N 0 0 333.384 3.200 20 10 EGCDRN C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273433905 456229758 /nfs/dbraw/zinc/22/97/58/456229758.db2.gz WKMKZQGHFFQWAU-SUMWQHHRSA-N 0 0 329.400 3.254 20 10 EGCDRN C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273433902 456230512 /nfs/dbraw/zinc/23/05/12/456230512.db2.gz WKMKZQGHFFQWAU-CXAGYDPISA-N 0 0 329.400 3.254 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1 ZINC000273446478 456231530 /nfs/dbraw/zinc/23/15/30/456231530.db2.gz FCWGSSQWTJWVET-KGLIPLIRSA-N 0 0 335.444 3.018 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000273460891 456231745 /nfs/dbraw/zinc/23/17/45/456231745.db2.gz CPLLLACRYBHUPD-LBPRGKRZSA-N 0 0 346.402 3.235 20 10 EGCDRN COCCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CCCC1 ZINC000273603116 456240815 /nfs/dbraw/zinc/24/08/15/456240815.db2.gz SJGQFNPDLMGLNP-CQSZACIVSA-N 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/nfs/dbraw/zinc/27/91/63/456279163.db2.gz MLJKNTDSNGXGTD-UHFFFAOYSA-N 0 0 347.422 3.282 20 10 EGCDRN COc1cccc(CNC(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1O ZINC000281642313 456280629 /nfs/dbraw/zinc/28/06/29/456280629.db2.gz WBRSDBVZFOFAMY-WKILWMFISA-N 0 0 326.396 3.146 20 10 EGCDRN COc1ccc(O)c(CN2CCn3c(C4CCCC4)nnc3[C@H]2C)c1 ZINC000290445651 456329598 /nfs/dbraw/zinc/32/95/98/456329598.db2.gz MAIBCLCFHWRGFU-CYBMUJFWSA-N 0 0 342.443 3.227 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(NCC2CC2)nc1 ZINC000337637961 456446370 /nfs/dbraw/zinc/44/63/70/456446370.db2.gz UZJOROWYMUYISW-UHFFFAOYSA-N 0 0 348.450 3.056 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(OC)CC3)ccc21 ZINC000343176853 456454458 /nfs/dbraw/zinc/45/44/58/456454458.db2.gz PEXBITSGMLWMDM-UHFFFAOYSA-N 0 0 344.455 3.156 20 10 EGCDRN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000310043542 456577790 /nfs/dbraw/zinc/57/77/90/456577790.db2.gz KPGZHKHUDXOZMV-HNNXBMFYSA-N 0 0 338.423 3.411 20 10 EGCDRN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000310043546 456578885 /nfs/dbraw/zinc/57/88/85/456578885.db2.gz KPGZHKHUDXOZMV-OAHLLOKOSA-N 0 0 338.423 3.411 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCCc1c[nH]nc1C ZINC000282757648 456617063 /nfs/dbraw/zinc/61/70/63/456617063.db2.gz ZEXZUJQBAHOIOD-UHFFFAOYSA-N 0 0 344.459 3.368 20 10 EGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC000276969281 456635503 /nfs/dbraw/zinc/63/55/03/456635503.db2.gz GSODLILKQHOVHE-SFHVURJKSA-N 0 0 344.430 3.457 20 10 EGCDRN Cc1ccc(O)c(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000282873636 456652622 /nfs/dbraw/zinc/65/26/22/456652622.db2.gz RIGMZEBNIJVOLZ-MRXNPFEDSA-N 0 0 336.229 3.286 20 10 EGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NCCF ZINC000282946784 456672119 /nfs/dbraw/zinc/67/21/19/456672119.db2.gz ZBQPJFWDTHVUFP-HZPDHXFCSA-N 0 0 335.467 3.192 20 10 EGCDRN Cc1ccc(C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)C(=O)[O-])cc1 ZINC000277166563 456705446 /nfs/dbraw/zinc/70/54/46/456705446.db2.gz 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/nfs/dbraw/zinc/29/51/81/455295181.db2.gz QOEQMPZNSWDMIQ-LBPRGKRZSA-N 0 0 325.474 3.457 20 10 EGCDRN COc1ccc(C(C)(C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183470882 455297356 /nfs/dbraw/zinc/29/73/56/455297356.db2.gz YPDRDTQANQMLHR-CYBMUJFWSA-N 0 0 343.423 3.131 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCOc1ccc(Cl)cc1 ZINC000183476389 455298180 /nfs/dbraw/zinc/29/81/80/455298180.db2.gz LNDCBCDQEZYVLB-GFCCVEGCSA-N 0 0 349.814 3.268 20 10 EGCDRN COc1cc(F)c([C@H](C)NC(=O)NCc2ccccc2O)cc1OC ZINC000265111600 455300856 /nfs/dbraw/zinc/30/08/56/455300856.db2.gz DPQMEMKTKWVDOA-NSHDSACASA-N 0 0 348.374 3.109 20 10 EGCDRN CCCCCOCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000265402425 455319531 /nfs/dbraw/zinc/31/95/31/455319531.db2.gz LBDLTNMHXIYGIE-KRWDZBQOSA-N 0 0 335.444 3.107 20 10 EGCDRN CO[C@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000181351448 455321366 /nfs/dbraw/zinc/32/13/66/455321366.db2.gz KZUFLKRUOAUGSY-CYBMUJFWSA-N 0 0 346.393 3.459 20 10 EGCDRN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000158967883 455341738 /nfs/dbraw/zinc/34/17/38/455341738.db2.gz AGSBRBZQJFPULW-UHFFFAOYSA-N 0 0 329.396 3.225 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)c1ccccc1OC ZINC000184018844 455348173 /nfs/dbraw/zinc/34/81/73/455348173.db2.gz OMRQGYZGXCCPBC-UHFFFAOYSA-N 0 0 327.380 3.022 20 10 EGCDRN COc1ccc(CCc2nnc(NCc3cc(C)ccc3O)o2)cc1 ZINC000181759169 455379529 /nfs/dbraw/zinc/37/95/29/455379529.db2.gz OBDIRESREIWUNX-UHFFFAOYSA-N 0 0 339.395 3.490 20 10 EGCDRN CN(CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc2c(c1)OCO2 ZINC000181773772 455381327 /nfs/dbraw/zinc/38/13/27/455381327.db2.gz LFOSQZXGEOSCHT-UHFFFAOYSA-N 0 0 332.444 3.136 20 10 EGCDRN COc1cc(/C=C2/SC(=S)N(C)C2=O)c(SC)cc1OC ZINC000265916965 455405562 /nfs/dbraw/zinc/40/55/62/455405562.db2.gz CMGHUOSHAHKIHV-WUXMJOGZSA-N 0 0 341.479 3.257 20 10 EGCDRN CCN(CC)c1ccc(CNc2ccc(-c3cnn(C)c3)nn2)cc1 ZINC000266462562 455429585 /nfs/dbraw/zinc/42/95/85/455429585.db2.gz YWPWITBCQDPNMG-UHFFFAOYSA-N 0 0 336.443 3.335 20 10 EGCDRN CCN(Cc1nnc(-c2ccco2)o1)c1ccc(OC)c(OC)c1 ZINC000266662581 455432478 /nfs/dbraw/zinc/43/24/78/455432478.db2.gz MEMJXHKCSKXGQZ-UHFFFAOYSA-N 0 0 329.356 3.373 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160236846 455441189 /nfs/dbraw/zinc/44/11/89/455441189.db2.gz RXQYFDXGIQMFPE-QGZVFWFLSA-N 0 0 342.395 3.224 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(CC)CCOCC1 ZINC000266726728 455443830 /nfs/dbraw/zinc/44/38/30/455443830.db2.gz KSHKXENMDNJKJL-UHFFFAOYSA-N 0 0 347.503 3.491 20 10 EGCDRN COc1cc(O)c(CN2C[C@H](C)OC[C@H]2c2ccccc2)cc1OC ZINC000160325107 455448391 /nfs/dbraw/zinc/44/83/91/455448391.db2.gz YJNIQMVLIBTOAD-YOEHRIQHSA-N 0 0 343.423 3.371 20 10 EGCDRN COc1cccc(CNC(=O)NC[C@@H](C)c2ccc(F)cc2)c1O ZINC000266806666 455455937 /nfs/dbraw/zinc/45/59/37/455455937.db2.gz VQOXVFYYXUWPEF-GFCCVEGCSA-N 0 0 332.375 3.143 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCC(C)=O ZINC000184871142 455464673 /nfs/dbraw/zinc/46/46/73/455464673.db2.gz APIJLMHXNZNXBQ-UHFFFAOYSA-N 0 0 342.233 3.263 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3[nH]cnc3C)c2C)cc1 ZINC000266989517 455488275 /nfs/dbraw/zinc/48/82/75/455488275.db2.gz UPJTWEBVXDQAFM-UHFFFAOYSA-N 0 0 338.411 3.064 20 10 EGCDRN COc1cccc(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1O ZINC000175929037 455517120 /nfs/dbraw/zinc/51/71/20/455517120.db2.gz JTOVCGLZIOSSNS-STQMWFEESA-N 0 0 333.334 3.099 20 10 EGCDRN CC(=O)N1CCN(c2ccc(CNc3ccnc(Cl)c3)cc2)CC1 ZINC000191856756 455526240 /nfs/dbraw/zinc/52/62/40/455526240.db2.gz XYHSEJYOLQWFPV-UHFFFAOYSA-N 0 0 344.846 3.016 20 10 EGCDRN COCc1noc(CN(Cc2ccccc2)c2ccc(OC)cc2)n1 ZINC000182506640 455527687 /nfs/dbraw/zinc/52/76/87/455527687.db2.gz GXYGAXQNKUJICG-UHFFFAOYSA-N 0 0 339.395 3.431 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)CC[C@@H]3CCOC3)cc2)CC1 ZINC000176031565 455530727 /nfs/dbraw/zinc/53/07/27/455530727.db2.gz IIFLYQYLBZPCMH-GOSISDBHSA-N 0 0 330.472 3.356 20 10 EGCDRN C[C@@H](Sc1ccccn1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000267861316 455557641 /nfs/dbraw/zinc/55/76/41/455557641.db2.gz AMMQVLYUUDIPAZ-CQSZACIVSA-N 0 0 329.469 3.287 20 10 EGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000185524913 455573320 /nfs/dbraw/zinc/57/33/20/455573320.db2.gz ZSHSGIXEUYCDLN-UYAOXDASSA-N 0 0 330.472 3.164 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC1CC(C)C1 ZINC000267989595 455575885 /nfs/dbraw/zinc/57/58/85/455575885.db2.gz HHAPTEQOSFDUPR-UHFFFAOYSA-N 0 0 341.249 3.485 20 10 EGCDRN CCOCCC1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000161525543 455577748 /nfs/dbraw/zinc/57/77/48/455577748.db2.gz RZEPQXJSYRLXFQ-UHFFFAOYSA-N 0 0 345.487 3.075 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000271315308 455594722 /nfs/dbraw/zinc/59/47/22/455594722.db2.gz ADEVCIBBTJJNRY-AEFFLSMTSA-N 0 0 347.503 3.488 20 10 EGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)c3ccccc32)cc1F ZINC000283955072 455615672 /nfs/dbraw/zinc/61/56/72/455615672.db2.gz NMVBTCAYODEUAZ-INIZCTEOSA-N 0 0 340.398 3.268 20 10 EGCDRN O=C(c1cc(NCc2ccccc2O)ccc1[N+](=O)[O-])N1CCCC1 ZINC000271611163 455699838 /nfs/dbraw/zinc/69/98/38/455699838.db2.gz KEDDPNCHMSWQKM-UHFFFAOYSA-N 0 0 341.367 3.149 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000268801862 455713712 /nfs/dbraw/zinc/71/37/12/455713712.db2.gz AVWOBRYOGZRHNA-KRWDZBQOSA-N 0 0 341.459 3.133 20 10 EGCDRN CC(=O)C(=O)COc1ccc(Br)cc1C(F)(F)F ZINC000292631113 455716141 /nfs/dbraw/zinc/71/61/41/455716141.db2.gz BAGBWBYPSRVHSA-UHFFFAOYSA-N 0 0 325.080 3.005 20 10 EGCDRN CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)c(O)c1 ZINC000284791915 455743032 /nfs/dbraw/zinc/74/30/32/455743032.db2.gz ZFZATASQXCZBKW-NLWGTHIKSA-N 0 0 349.471 3.197 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000193146592 455744647 /nfs/dbraw/zinc/74/46/47/455744647.db2.gz IKNKIVCADMDBJA-LLVKDONJSA-N 0 0 333.771 3.045 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000284844032 455751996 /nfs/dbraw/zinc/75/19/96/455751996.db2.gz ZPWPHGNEJDPHEE-QZTJIDSGSA-N 0 0 339.439 3.273 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1[O-] ZINC000268999187 455759239 /nfs/dbraw/zinc/75/92/39/455759239.db2.gz ZBQBRFULLPRSQN-LBPRGKRZSA-N 0 0 326.780 3.145 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2CCOC3(CCC3)C2)c(C)n1-c1ccccn1 ZINC000269009086 455762088 /nfs/dbraw/zinc/76/20/88/455762088.db2.gz AUZDYHYEJLCFHD-MRXNPFEDSA-N 0 0 339.439 3.321 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000292855370 455763720 /nfs/dbraw/zinc/76/37/20/455763720.db2.gz ZPACYKPMWMNRQR-GOSISDBHSA-N 0 0 338.455 3.440 20 10 EGCDRN CC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000186425938 455765593 /nfs/dbraw/zinc/76/55/93/455765593.db2.gz BYHPOIARPUOLND-LRDDRELGSA-N 0 0 331.387 3.478 20 10 EGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186435623 455767363 /nfs/dbraw/zinc/76/73/63/455767363.db2.gz VYQYELWEYXTZQU-JCKWVBRZSA-N 0 0 335.444 3.130 20 10 EGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186457856 455772141 /nfs/dbraw/zinc/77/21/41/455772141.db2.gz BOVOAGKITQNXKC-UHFFFAOYSA-N 0 0 332.831 3.361 20 10 EGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000271831427 455779607 /nfs/dbraw/zinc/77/96/07/455779607.db2.gz UKNFXJAAJOPFRK-NVXWUHKLSA-N 0 0 346.814 3.375 20 10 EGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(N3CCOCC3)nc2C)c1 ZINC000186489309 455780248 /nfs/dbraw/zinc/78/02/48/455780248.db2.gz VJMIFQVIZLWICD-CYBMUJFWSA-N 0 0 343.427 3.114 20 10 EGCDRN CCc1nc(C)c(CNC(=O)N(CC)Cc2ccc(N(C)C)cc2)o1 ZINC000293355232 455783563 /nfs/dbraw/zinc/78/35/63/455783563.db2.gz HEEUOLIANFPQCE-UHFFFAOYSA-N 0 0 344.459 3.343 20 10 EGCDRN COc1c(C)ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000193936062 455787431 /nfs/dbraw/zinc/78/74/31/455787431.db2.gz ODCPBRHMXSSSSM-GFCCVEGCSA-N 0 0 344.411 3.476 20 10 EGCDRN CC(C)c1[nH]ccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000285096798 455788880 /nfs/dbraw/zinc/78/88/80/455788880.db2.gz NNZKWCZUMMNTHD-UHFFFAOYSA-N 0 0 345.418 3.044 20 10 EGCDRN C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000293572723 455791029 /nfs/dbraw/zinc/79/10/29/455791029.db2.gz BLHRTSXIJQGOAB-SECBINFHSA-N 0 0 329.231 3.111 20 10 EGCDRN COc1cccc(CNC(=O)[C@H](C)[C@H]2OCCc3sccc32)c1O ZINC000293609696 455792323 /nfs/dbraw/zinc/79/23/23/455792323.db2.gz FEEYPDRIEVLDDW-PIGZYNQJSA-N 0 0 347.436 3.029 20 10 EGCDRN CCOC(=O)[C@H](F)C1CN(Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000293804563 455798306 /nfs/dbraw/zinc/79/83/06/455798306.db2.gz DNNKNXNIZZFSDT-QGZVFWFLSA-N 0 0 340.414 3.005 20 10 EGCDRN c1csc([C@H](NCc2ccc(N3CCCC3)cc2)c2nc[nH]n2)c1 ZINC000293872761 455799145 /nfs/dbraw/zinc/79/91/45/455799145.db2.gz UYKDTKSPLGLPPO-KRWDZBQOSA-N 0 0 339.468 3.346 20 10 EGCDRN CC[C@H](Nc1cccc(OCC(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000271936636 455799523 /nfs/dbraw/zinc/79/95/23/455799523.db2.gz KHSALJCENUEKHZ-SFHVURJKSA-N 0 0 327.428 3.180 20 10 EGCDRN CC[C@@H]([NH2+]Cc1cc(C)nc(N2CCCC2)n1)c1ccc(F)cc1[O-] ZINC000293848470 455799669 /nfs/dbraw/zinc/79/96/69/455799669.db2.gz XDLQGCHKNDCNJI-QGZVFWFLSA-N 0 0 344.434 3.471 20 10 EGCDRN Cc1cc(CN2CCn3c(Br)cnc3C2)ccc1N(C)C ZINC000294079429 455804751 /nfs/dbraw/zinc/80/47/51/455804751.db2.gz LFFWBBFHQXLLSO-UHFFFAOYSA-N 0 0 349.276 3.036 20 10 EGCDRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000269197097 455809199 /nfs/dbraw/zinc/80/91/99/455809199.db2.gz LBGXZVUYZDWWDD-LBPRGKRZSA-N 0 0 349.814 3.186 20 10 EGCDRN CC(C)[C@H]1CN(C(=O)c2c[nH]nc2-c2cnn(C)c2)c2ccccc21 ZINC000278296405 455809379 /nfs/dbraw/zinc/80/93/79/455809379.db2.gz JDGRGTVKSYVWOA-MRXNPFEDSA-N 0 0 335.411 3.210 20 10 EGCDRN Cc1ccc(OC2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC000294778370 455827836 /nfs/dbraw/zinc/82/78/36/455827836.db2.gz CMAPURZCOLBBJS-UHFFFAOYSA-N 0 0 345.370 3.229 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@H](C)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000278477437 455837576 /nfs/dbraw/zinc/83/75/76/455837576.db2.gz IQGWORBNOXPJGW-SNVBAGLBSA-N 0 0 336.413 3.400 20 10 EGCDRN COc1cc2c(cc1NC[C@@H]1CCS(=O)(=O)C1)oc1ccccc12 ZINC000278590161 455841875 /nfs/dbraw/zinc/84/18/75/455841875.db2.gz CHOQPJBHCIJAJH-LBPRGKRZSA-N 0 0 345.420 3.441 20 10 EGCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)NCC2CCCCC2)s1 ZINC000295294454 455845036 /nfs/dbraw/zinc/84/50/36/455845036.db2.gz LVFBGGODLWHTAK-JTQLQIEISA-N 0 0 342.486 3.107 20 10 EGCDRN COC(=O)c1cnc(S[C@H](C(=O)NC2CC2)c2ccccc2)s1 ZINC000295349313 455847059 /nfs/dbraw/zinc/84/70/59/455847059.db2.gz QOQCMFBPHVSFQV-ZDUSSCGKSA-N 0 0 348.449 3.042 20 10 EGCDRN COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000278839611 455850143 /nfs/dbraw/zinc/85/01/43/455850143.db2.gz USDLQHUYRFMQGI-ZDUSSCGKSA-N 0 0 328.412 3.299 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](SC)C3)ccc21 ZINC000295493667 455850671 /nfs/dbraw/zinc/85/06/71/455850671.db2.gz FOQMIVQIHDCCPF-INIZCTEOSA-N 0 0 346.496 3.482 20 10 EGCDRN COC[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000269715742 455853203 /nfs/dbraw/zinc/85/32/03/455853203.db2.gz PXXAQTVXOHPCEA-SFHVURJKSA-N 0 0 333.476 3.098 20 10 EGCDRN CCC[C@@]12CCCN1C(=O)N(Cc1ccc(N3CCCC3)cc1)C2=O ZINC000279923981 455877780 /nfs/dbraw/zinc/87/77/80/455877780.db2.gz OHPJGFLDJOLWAE-FQEVSTJZSA-N 0 0 341.455 3.384 20 10 EGCDRN CC(C)c1occc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000280096264 455890793 /nfs/dbraw/zinc/89/07/93/455890793.db2.gz UBSKZWQXPRUBOV-UHFFFAOYSA-N 0 0 328.412 3.170 20 10 EGCDRN C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187697856 455940826 /nfs/dbraw/zinc/94/08/26/455940826.db2.gz RIPGDXRXENOYDA-JTQLQIEISA-N 0 0 330.375 3.236 20 10 EGCDRN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000187713068 455943303 /nfs/dbraw/zinc/94/33/03/455943303.db2.gz VVXDRHBJODCJAB-LRDDRELGSA-N 0 0 348.393 3.021 20 10 EGCDRN CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187749137 455947597 /nfs/dbraw/zinc/94/75/97/455947597.db2.gz VRIYQFLGYUWVEC-CEZNZBFCSA-N 0 0 331.428 3.401 20 10 EGCDRN C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187782611 455952675 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C/C(=C\C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000742497382 576787509 /nfs/dbraw/zinc/78/75/09/576787509.db2.gz HFKYQHOKKFLVPJ-JQIJEIRASA-N 0 0 330.472 3.474 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1nnc(C2CC2)s1 ZINC000743069854 576800997 /nfs/dbraw/zinc/80/09/97/576800997.db2.gz AWZVUHJLWBUUBR-UHFFFAOYSA-N 0 0 344.440 3.322 20 10 EGCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1cc(OC)ccc1O ZINC000743409816 576808835 /nfs/dbraw/zinc/80/88/35/576808835.db2.gz CXUOZUYBCIASKM-OWQGQXMQSA-N 0 0 335.444 3.391 20 10 EGCDRN O=C(c1cnn2ccccc12)N(Cc1ccco1)Cc1ccccc1O ZINC000743432487 576809102 /nfs/dbraw/zinc/80/91/02/576809102.db2.gz NHCKUQIFWUKWOJ-UHFFFAOYSA-N 0 0 347.374 3.476 20 10 EGCDRN CS[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000743552697 576811807 /nfs/dbraw/zinc/81/18/07/576811807.db2.gz RBRCIZLXMABPQF-DOTOQJQBSA-N 0 0 333.501 3.370 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1F ZINC000743597538 576812873 /nfs/dbraw/zinc/81/28/73/576812873.db2.gz DGWFFASWTSWQMP-GASCZTMLSA-N 0 0 333.451 3.469 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](COC)C(C)C)cc1 ZINC000743636058 576813832 /nfs/dbraw/zinc/81/38/32/576813832.db2.gz CSOIODVNLZAPEA-SFHVURJKSA-N 0 0 335.492 3.345 20 10 EGCDRN Cc1cc(C(=O)NC[C@@](C)(O)C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000743713479 576815053 /nfs/dbraw/zinc/81/50/53/576815053.db2.gz QHEQPMDROZOATR-LJQANCHMSA-N 0 0 332.419 3.370 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2[nH]c(=O)oc2c1 ZINC000743719394 576815249 /nfs/dbraw/zinc/81/52/49/576815249.db2.gz WIJVAKZIZHYLKZ-UHFFFAOYSA-N 0 0 338.363 3.048 20 10 EGCDRN Cc1cc(C(=O)CN(C)CC[C@H](C)O)c(C)n1-c1ccc(C)cc1 ZINC000744406168 576827520 /nfs/dbraw/zinc/82/75/20/576827520.db2.gz FXAIWHONAYPOBV-INIZCTEOSA-N 0 0 328.456 3.288 20 10 EGCDRN CCCCOC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000744693010 576832922 /nfs/dbraw/zinc/83/29/22/576832922.db2.gz UOQQCUMTOUEJRL-OAHLLOKOSA-N 0 0 344.411 3.378 20 10 EGCDRN O=C([O-])c1cccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000821553078 598203096 /nfs/dbraw/zinc/20/30/96/598203096.db2.gz ZDRPJYGABDBNCR-UHFFFAOYSA-N 0 0 342.464 3.228 20 10 EGCDRN Cc1cc(O)c(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1C ZINC000833746935 604637163 /nfs/dbraw/zinc/63/71/63/604637163.db2.gz LZSPUDAPPHKAKC-UHFFFAOYSA-N 0 0 349.814 3.455 20 10 EGCDRN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000833506028 604768244 /nfs/dbraw/zinc/76/82/44/604768244.db2.gz QORKLBSFLLLWRJ-GOSISDBHSA-N 0 0 343.423 3.369 20 10 EGCDRN COc1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000833735563 604950975 /nfs/dbraw/zinc/95/09/75/604950975.db2.gz NYNJOOVUUKPNNR-UHFFFAOYSA-N 0 0 335.787 3.141 20 10 EGCDRN CC(C)Oc1ccc(NCc2cccc(F)c2O)cc1-c1nn[nH]n1 ZINC000824329597 609489709 /nfs/dbraw/zinc/48/97/09/609489709.db2.gz RZLZPUAWCRQQLN-UHFFFAOYSA-N 0 0 343.362 3.111 20 10 EGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000708078452 1298234918 /nfs/dbraw/zinc/23/49/18/1298234918.db2.gz XHPKOEOJSUBNIQ-LLVKDONJSA-N 0 0 345.668 3.134 20 10 EGCDRN COc1ccc(O)c([C@@H](C)Nc2cccc3c2CCN3C(C)=O)c1 ZINC000769411776 1303107954 /nfs/dbraw/zinc/10/79/54/1303107954.db2.gz GPACXGQEDOXDQY-GFCCVEGCSA-N 0 0 326.396 3.483 20 10 EGCDRN COc1ccc2c(c1)CCCN2CC(=O)NCc1ccc(C)c(F)c1 ZINC000010057083 1291112404 /nfs/dbraw/zinc/11/24/04/1291112404.db2.gz SDUPKPNIRJRWBB-UHFFFAOYSA-N 0 0 342.414 3.212 20 10 EGCDRN CN1C(=O)/C(=C\c2ccc(OC[C@@H]3CCCO3)cc2)SC1=S ZINC000011091774 1291124043 /nfs/dbraw/zinc/12/40/43/1291124043.db2.gz CNLOLKVNTLCAQV-FYQHACEVSA-N 0 0 335.450 3.075 20 10 EGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000018150342 1291185007 /nfs/dbraw/zinc/18/50/07/1291185007.db2.gz AZZSHMARALNOKT-UHFFFAOYSA-N 0 0 327.384 3.241 20 10 EGCDRN COc1ccc2c(c1)CCCN2CC(=O)N1CCCc2ccccc21 ZINC000027578713 1291289089 /nfs/dbraw/zinc/28/90/89/1291289089.db2.gz OJTVJUCXFVOJFA-UHFFFAOYSA-N 0 0 336.435 3.427 20 10 EGCDRN COc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1C(C)=O ZINC000027579260 1291290105 /nfs/dbraw/zinc/29/01/05/1291290105.db2.gz KIWGBTRBAPRTAY-UHFFFAOYSA-N 0 0 338.407 3.289 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000047394191 1291572532 /nfs/dbraw/zinc/57/25/32/1291572532.db2.gz DUWGGSVRDHGXBR-UHFFFAOYSA-N 0 0 339.395 3.183 20 10 EGCDRN CC(C)[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])N1CCCC1 ZINC000048795395 1291618225 /nfs/dbraw/zinc/61/82/25/1291618225.db2.gz JVCCYTSBKQTFMK-OAHLLOKOSA-N 0 0 341.293 3.365 20 10 EGCDRN CCc1nc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000050356983 1291644021 /nfs/dbraw/zinc/64/40/21/1291644021.db2.gz DROCSLHLGYRESG-UHFFFAOYSA-N 0 0 329.469 3.326 20 10 EGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)nn1C(C)(C)C ZINC000052807214 1291712544 /nfs/dbraw/zinc/71/25/44/1291712544.db2.gz DTAZGUGYNPVNAL-UHFFFAOYSA-N 0 0 340.471 3.477 20 10 EGCDRN COC1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000054483698 1291753290 /nfs/dbraw/zinc/75/32/90/1291753290.db2.gz QADDPRHKJJDJIQ-UHFFFAOYSA-N 0 0 330.403 3.484 20 10 EGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ccc1N(C)C ZINC000058125361 1291880082 /nfs/dbraw/zinc/88/00/82/1291880082.db2.gz SABNUELCVTUJLH-UHFFFAOYSA-N 0 0 326.444 3.449 20 10 EGCDRN CN1CCCc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)ccc21 ZINC000058769471 1291900866 /nfs/dbraw/zinc/90/08/66/1291900866.db2.gz LHMMVHXUZZBDTM-UHFFFAOYSA-N 0 0 343.358 3.046 20 10 EGCDRN CC(C)CNC(=S)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000059034857 1291912272 /nfs/dbraw/zinc/91/22/72/1291912272.db2.gz VEXKLCZXSPRMGJ-GOSISDBHSA-N 0 0 349.544 3.264 20 10 EGCDRN COc1ccc(N(C)C[C@H](O)COc2ccc(C)cc2C)cc1OC ZINC000063618012 1292019439 /nfs/dbraw/zinc/01/94/39/1292019439.db2.gz DMFSBJRJSVEZFC-KRWDZBQOSA-N 0 0 345.439 3.197 20 10 EGCDRN CN1C(=O)/C(=C/c2ccc(OCC(F)(F)F)cc2)SC1=S ZINC000063702792 1292021837 /nfs/dbraw/zinc/02/18/37/1292021837.db2.gz AXAQUYUCGBZNTR-POHAHGRESA-N 0 0 333.356 3.459 20 10 EGCDRN Cc1cc(C(=O)N2CCN(Cc3cc(C)c(C)cc3O)CC2)c(C)o1 ZINC000064028253 1292038568 /nfs/dbraw/zinc/03/85/68/1292038568.db2.gz CJOJMOFFFUWZGE-UHFFFAOYSA-N 0 0 342.439 3.177 20 10 EGCDRN C[C@H](NC(=S)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000065222480 1292076594 /nfs/dbraw/zinc/07/65/94/1292076594.db2.gz RWROZSCFRPUEEK-HNNXBMFYSA-N 0 0 347.528 3.381 20 10 EGCDRN COc1cccc(CNC(=O)c2ccccc2Br)c1O ZINC000068488765 1292204662 /nfs/dbraw/zinc/20/46/62/1292204662.db2.gz GXJTYCGRODTWEG-UHFFFAOYSA-N 0 0 336.185 3.093 20 10 EGCDRN Cc1cccc(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000072056496 1292274284 /nfs/dbraw/zinc/27/42/84/1292274284.db2.gz GRXBPWILCXLMIA-UHFFFAOYSA-N 0 0 325.456 3.445 20 10 EGCDRN CCc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000072845914 1292295615 /nfs/dbraw/zinc/29/56/15/1292295615.db2.gz CDYVOQXSDPGVRQ-UHFFFAOYSA-N 0 0 344.480 3.419 20 10 EGCDRN O=C(NCCCSc1nccs1)C1=Cc2ccccc2OC1 ZINC000074135921 1292338301 /nfs/dbraw/zinc/33/83/01/1292338301.db2.gz GNNYCVYGAAUXSU-UHFFFAOYSA-N 0 0 332.450 3.218 20 10 EGCDRN COC(C)(C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000074142229 1292338908 /nfs/dbraw/zinc/33/89/08/1292338908.db2.gz MIXYJOIWRFYDEN-UHFFFAOYSA-N 0 0 333.476 3.147 20 10 EGCDRN Cc1cc(C(=O)CN(C)[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827772223 1292369631 /nfs/dbraw/zinc/36/96/31/1292369631.db2.gz MWJVESBUSQZJLA-OAHLLOKOSA-N 0 0 347.846 3.046 20 10 EGCDRN Cc1cccc2c1N[C@H](c1cc(Br)ccc1O)NC2=O ZINC000075673309 1292405381 /nfs/dbraw/zinc/40/53/81/1292405381.db2.gz NLESARWXSQKJTQ-AWEZNQCLSA-N 0 0 333.185 3.317 20 10 EGCDRN Cc1c(C(=O)NCc2ccc(O)cc2O)cnn1C1CCCCC1 ZINC000828912046 1292516834 /nfs/dbraw/zinc/51/68/34/1292516834.db2.gz HXNVNRFIRZSEJB-UHFFFAOYSA-N 0 0 329.400 3.038 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(Cl)nc1 ZINC000079620470 1292568552 /nfs/dbraw/zinc/56/85/52/1292568552.db2.gz GZMULGJODRWNDR-UHFFFAOYSA-N 0 0 344.846 3.335 20 10 EGCDRN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)C1=CC(=O)CS1 ZINC000829903155 1292639617 /nfs/dbraw/zinc/63/96/17/1292639617.db2.gz DLBIFXJQOGJPTF-OAHLLOKOSA-N 0 0 337.416 3.425 20 10 EGCDRN CN(C)c1ccc(CNC(=O)c2cnc([C@H]3CCCO3)s2)cc1F ZINC000089760035 1292775442 /nfs/dbraw/zinc/77/54/42/1292775442.db2.gz MFTJFKJAZGFEIT-CQSZACIVSA-N 0 0 349.431 3.130 20 10 EGCDRN COc1ccc([C@@H](CN2CCCC2)NC(=O)C2=CC(=O)CS2)cc1 ZINC000831525556 1292877136 /nfs/dbraw/zinc/87/71/36/1292877136.db2.gz PGIXIZKILBSMHO-MRXNPFEDSA-N 0 0 346.452 3.029 20 10 EGCDRN NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092660340 1292883881 /nfs/dbraw/zinc/88/38/81/1292883881.db2.gz GLFUOJLHAJIHBB-SNVBAGLBSA-N 0 0 331.243 3.177 20 10 EGCDRN COc1ccc(N(Cc2cc(=O)n3ccsc3n2)CC2CC2)cc1 ZINC000831587655 1292891153 /nfs/dbraw/zinc/89/11/53/1292891153.db2.gz FJGNUYLISBFBIT-UHFFFAOYSA-N 0 0 341.436 3.181 20 10 EGCDRN CC(=O)c1cc(F)cc(CN2CCN(c3ccc(F)cc3)CC2)c1O ZINC000097395032 1292960596 /nfs/dbraw/zinc/96/05/96/1292960596.db2.gz LFTUVERKKYLJFR-UHFFFAOYSA-N 0 0 346.377 3.195 20 10 EGCDRN CC[C@H](C)[C@@H](C)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000098122437 1292964269 /nfs/dbraw/zinc/96/42/69/1292964269.db2.gz OGOWAWGRMIRVGE-JKSUJKDBSA-N 0 0 333.476 3.352 20 10 EGCDRN CC[C@@H](C)[C@H](C)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000098122438 1292964579 /nfs/dbraw/zinc/96/45/79/1292964579.db2.gz OGOWAWGRMIRVGE-CVEARBPZSA-N 0 0 333.476 3.352 20 10 EGCDRN Cc1csc(CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000102461003 1292977298 /nfs/dbraw/zinc/97/72/98/1292977298.db2.gz AHURMSXJTKENLZ-UHFFFAOYSA-N 0 0 346.500 3.292 20 10 EGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000832369744 1292998646 /nfs/dbraw/zinc/99/86/46/1292998646.db2.gz PNYOGEZVZIXXFP-ZDUSSCGKSA-N 0 0 341.436 3.356 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2c[nH]c3cc(F)ccc23)c1 ZINC000103528806 1293008519 /nfs/dbraw/zinc/00/85/19/1293008519.db2.gz UQJAKXUPRXXKCV-LLVKDONJSA-N 0 0 342.370 3.441 20 10 EGCDRN COCc1ccccc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103571928 1293009947 /nfs/dbraw/zinc/00/99/47/1293009947.db2.gz VVSAEPAJLJQKCG-LBPRGKRZSA-N 0 0 330.384 3.430 20 10 EGCDRN CCN(CCC(=O)OC)C(=O)c1sccc1-n1c(C)ccc1C ZINC000104191881 1293020303 /nfs/dbraw/zinc/02/03/03/1293020303.db2.gz SNCJHEBRARVEGQ-UHFFFAOYSA-N 0 0 334.441 3.181 20 10 EGCDRN 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CC(C)c1ccc(CCNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841633622 1321290254 /nfs/dbraw/zinc/29/02/54/1321290254.db2.gz YCNJHQHTATYTOT-UHFFFAOYSA-N 0 0 325.456 3.477 20 10 EGCDRN Nc1ccc(CCNC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 ZINC000841706683 1321300091 /nfs/dbraw/zinc/30/00/91/1321300091.db2.gz YLHDUXYJDHXOEJ-INIZCTEOSA-N 0 0 345.443 3.487 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(Cl)cc1[O-] ZINC000841757119 1321307484 /nfs/dbraw/zinc/30/74/84/1321307484.db2.gz MHVLTTOQWXAOBY-PPHDSNJXSA-N 0 0 335.835 3.350 20 10 EGCDRN CCOCc1cc(C[NH2+][C@@H]2CCCC[C@@]2(C)C(=O)[O-])ccc1OC ZINC000841803193 1321315562 /nfs/dbraw/zinc/31/55/62/1321315562.db2.gz FHTBGFCSPZAUMM-IEBWSBKVSA-N 0 0 335.444 3.355 20 10 EGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](F)C(=O)[O-])cc1 ZINC000841815283 1321318004 /nfs/dbraw/zinc/31/80/04/1321318004.db2.gz HIZZNQGZSNFHLQ-GOSISDBHSA-N 0 0 330.403 3.225 20 10 EGCDRN CCOCc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CC(=O)[O-])ccc1OC ZINC000841822936 1321319587 /nfs/dbraw/zinc/31/95/87/1321319587.db2.gz RBHMFHSHRQSJDE-NVXWUHKLSA-N 0 0 335.444 3.355 20 10 EGCDRN COc1ccc([C@@H](C)CCNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841835644 1321321119 /nfs/dbraw/zinc/32/11/19/1321321119.db2.gz CGLJRXIXJMGEOP-HNNXBMFYSA-N 0 0 341.455 3.313 20 10 EGCDRN Nc1ccc(CCNC(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1 ZINC000841870062 1321324812 /nfs/dbraw/zinc/32/48/12/1321324812.db2.gz VTJUNULRDICJDE-UHFFFAOYSA-N 0 0 341.430 3.273 20 10 EGCDRN Nc1ccc(CCNC(=O)NCC2(c3ccc(F)cc3F)CC2)cc1 ZINC000841866994 1321324900 /nfs/dbraw/zinc/32/49/00/1321324900.db2.gz ISMPJSZIWLABAQ-UHFFFAOYSA-N 0 0 345.393 3.121 20 10 EGCDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841870725 1321325416 /nfs/dbraw/zinc/32/54/16/1321325416.db2.gz NIKVOOHRAPBKIN-SCLBCKFNSA-N 0 0 345.418 3.026 20 10 EGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000841875110 1321325598 /nfs/dbraw/zinc/32/55/98/1321325598.db2.gz RHQSLQCRZZTTBG-QGZVFWFLSA-N 0 0 343.402 3.164 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(OC3CCC3)CC2)c1[O-] ZINC000841888090 1321326504 /nfs/dbraw/zinc/32/65/04/1321326504.db2.gz DPMIYPMBKPQDBR-UHFFFAOYSA-N 0 0 340.807 3.487 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CCC(OC3CCCCC3)CC2)cc1 ZINC000841956156 1321331826 /nfs/dbraw/zinc/33/18/26/1321331826.db2.gz WXBCGSXYOZMHIK-UHFFFAOYSA-N 0 0 345.487 3.335 20 10 EGCDRN Nc1ccc(CCNC(=O)N(Cc2cccc(F)c2)C2CC2)cc1 ZINC000841961259 1321332437 /nfs/dbraw/zinc/33/24/37/1321332437.db2.gz DJTDBKMAMBDVAG-UHFFFAOYSA-N 0 0 327.403 3.325 20 10 EGCDRN Cc1cc(C(=O)Cn2c(C)cncc2=O)c(C)n1-c1ccccc1C ZINC000842048943 1321339284 /nfs/dbraw/zinc/33/92/84/1321339284.db2.gz KNHZWQNSKMDPAA-UHFFFAOYSA-N 0 0 335.407 3.151 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](CC(C)C)OC ZINC000842186001 1321359709 /nfs/dbraw/zinc/35/97/09/1321359709.db2.gz RFQWWXKSTDWESN-SFHVURJKSA-N 0 0 335.492 3.345 20 10 EGCDRN CC[C@H](C)N1CC(=O)N([C@@H](C)Cc2ccc(N(C)C)cc2C)C1=O ZINC000842264928 1321366552 /nfs/dbraw/zinc/36/65/52/1321366552.db2.gz OJCXSNWVEOEFEL-GJZGRUSLSA-N 0 0 331.460 3.055 20 10 EGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000842732851 1321425892 /nfs/dbraw/zinc/42/58/92/1321425892.db2.gz ZJPOYNVAUUHEFL-UHFFFAOYSA-N 0 0 336.229 3.245 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000842883559 1321444052 /nfs/dbraw/zinc/44/40/52/1321444052.db2.gz DTHOOUMXKHYWFU-MFKMUULPSA-N 0 0 344.377 3.461 20 10 EGCDRN CCOc1cccc(CN2CCc3cccc(C(=O)OC)c3C2)c1O ZINC000843429526 1321517540 /nfs/dbraw/zinc/51/75/40/1321517540.db2.gz DSONLQKZMGXWPH-UHFFFAOYSA-N 0 0 341.407 3.136 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)Cc2cnn3ccccc23)cc1 ZINC000843531865 1321525915 /nfs/dbraw/zinc/52/59/15/1321525915.db2.gz KKUBIEDEXMVYNH-UHFFFAOYSA-N 0 0 336.439 3.039 20 10 EGCDRN C[C@@H](NC(=O)/C=C\C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000843537598 1321526417 /nfs/dbraw/zinc/52/64/17/1321526417.db2.gz YVIFTHIPTASGNM-BDJZEXMMSA-N 0 0 328.456 3.447 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccc3c(c2)CCCO3)cc1 ZINC000843758013 1321544355 /nfs/dbraw/zinc/54/43/55/1321544355.db2.gz IDUPIULVTOGWOX-UHFFFAOYSA-N 0 0 338.451 3.279 20 10 EGCDRN CC(C)[C@@H](C(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000843757875 1321544378 /nfs/dbraw/zinc/54/43/78/1321544378.db2.gz GYVDBLKOELMZOB-QGZVFWFLSA-N 0 0 348.487 3.325 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CCc3ccccc32)c1 ZINC000843831118 1321551576 /nfs/dbraw/zinc/55/15/76/1321551576.db2.gz MEOBYADMHZKQSN-XCLFUZPHSA-N 0 0 325.408 3.482 20 10 EGCDRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2O)CC1 ZINC000843831502 1321551682 /nfs/dbraw/zinc/55/16/82/1321551682.db2.gz HAPFETUQBRVQKD-CQSZACIVSA-N 0 0 348.443 3.046 20 10 EGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000843908047 1321557022 /nfs/dbraw/zinc/55/70/22/1321557022.db2.gz HQAFCFPMCXHRRA-MRXNPFEDSA-N 0 0 345.439 3.420 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](OC)C(F)(F)F)cc1 ZINC000844340012 1321591478 /nfs/dbraw/zinc/59/14/78/1321591478.db2.gz XUJXCRMOSHKUAR-CQSZACIVSA-N 0 0 332.366 3.116 20 10 EGCDRN C[C@@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc(N2CCOCC2)cc1 ZINC000844349750 1321591994 /nfs/dbraw/zinc/59/19/94/1321591994.db2.gz CCQFVGJVVMDZNO-ZTRFORPCSA-N 0 0 340.467 3.303 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(SC)o2)cc1 ZINC000844852982 1321650486 /nfs/dbraw/zinc/65/04/86/1321650486.db2.gz BULVNAJLSLDSFH-UHFFFAOYSA-N 0 0 334.441 3.219 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC(F)(F)C2)cc1 ZINC000844856806 1321651989 /nfs/dbraw/zinc/65/19/89/1321651989.db2.gz VAUMEFZYLXOKSN-ZDUSSCGKSA-N 0 0 326.387 3.025 20 10 EGCDRN Cc1cc(CCNC(=O)N(C)[C@@H](C)CCO)c(C)n1-c1ccccc1 ZINC000844869478 1321652164 /nfs/dbraw/zinc/65/21/64/1321652164.db2.gz SAVRTTDOXHYKPF-HNNXBMFYSA-N 0 0 343.471 3.049 20 10 EGCDRN O=C(NCCOC1CCCCC1)NCc1cc(Cl)ccc1O ZINC000844911127 1321656920 /nfs/dbraw/zinc/65/69/20/1321656920.db2.gz LAIMKWBPLGPXQN-UHFFFAOYSA-N 0 0 326.824 3.194 20 10 EGCDRN C[C@@H](CCc1cccn1C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845013391 1321668365 /nfs/dbraw/zinc/66/83/65/1321668365.db2.gz UAHCXQBMIJZWCS-LBPRGKRZSA-N 0 0 335.835 3.205 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845117586 1321677474 /nfs/dbraw/zinc/67/74/74/1321677474.db2.gz SNRYZYRUAVIDPR-IMFGXOCKSA-N 0 0 340.467 3.084 20 10 EGCDRN CCc1nc(SCC(=O)NCc2ccc(N(C)C)cc2)sc1C ZINC000845325413 1321698880 /nfs/dbraw/zinc/69/88/80/1321698880.db2.gz KCDFVQAJQVEOIF-UHFFFAOYSA-N 0 0 349.525 3.488 20 10 EGCDRN CSCC1(CC(=O)NCc2cccc(Br)c2O)CC1 ZINC000846013350 1321762441 /nfs/dbraw/zinc/76/24/41/1321762441.db2.gz AQCGHEBOCQYMFU-UHFFFAOYSA-N 0 0 344.274 3.304 20 10 EGCDRN CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)[C@@H](C)CO1 ZINC000846045371 1321764325 /nfs/dbraw/zinc/76/43/25/1321764325.db2.gz WTDXTQKQCXEJFJ-GXFFZTMASA-N 0 0 344.249 3.163 20 10 EGCDRN COc1ccc(N(C)CCN(C)Cc2nc3c(s2)CCC3)cc1 ZINC000846053137 1321765013 /nfs/dbraw/zinc/76/50/13/1321765013.db2.gz VWQSUASGXMZLFN-UHFFFAOYSA-N 0 0 331.485 3.209 20 10 EGCDRN COc1cccc([C@@H](C)Nc2cc3c(cc2OC)CCC(=O)N3)c1O ZINC000846163843 1321772971 /nfs/dbraw/zinc/77/29/71/1321772971.db2.gz LXFBKQVWRWNYCB-LLVKDONJSA-N 0 0 342.395 3.467 20 10 EGCDRN COc1ccc(N(C)CCN(C)c2nnc(C3CCCC3)n2C)cc1 ZINC000846295412 1321782902 /nfs/dbraw/zinc/78/29/02/1321782902.db2.gz ZEIDLSKCKBWNCP-UHFFFAOYSA-N 0 0 343.475 3.054 20 10 EGCDRN COC(=O)CC1(CC(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000846472841 1321787655 /nfs/dbraw/zinc/78/76/55/1321787655.db2.gz GCQHIVZNZNUZBJ-UHFFFAOYSA-N 0 0 339.819 3.175 20 10 EGCDRN Cc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)OC(C)(C)C)c(O)c1O ZINC000846511754 1321789295 /nfs/dbraw/zinc/78/92/95/1321789295.db2.gz UGNGSTLXZGWXMW-CYBMUJFWSA-N 0 0 349.427 3.133 20 10 EGCDRN CCN(Cc1ccc(OCC(F)(F)F)nn1)c1ccc(OC)cc1 ZINC000846822727 1321812862 /nfs/dbraw/zinc/81/28/62/1321812862.db2.gz FWYRWSJWTZIWJP-UHFFFAOYSA-N 0 0 341.333 3.453 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnccc1C(F)(F)F ZINC000846875850 1321819619 /nfs/dbraw/zinc/81/96/19/1321819619.db2.gz LDBRSXWNONLIAE-UHFFFAOYSA-N 0 0 337.345 3.405 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2Cc3cc(F)c(F)cc3C2)cc1F ZINC000847303273 1321860746 /nfs/dbraw/zinc/86/07/46/1321860746.db2.gz RSJDCSVSTVFSBS-UHFFFAOYSA-N 0 0 349.356 3.395 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000847364981 1321866854 /nfs/dbraw/zinc/86/68/54/1321866854.db2.gz GBUGNNQUEGPMOI-HNNXBMFYSA-N 0 0 328.460 3.092 20 10 EGCDRN Cc1cc(C(=O)OCc2cc(C3CC3)n[nH]2)c(C)n1-c1ccccn1 ZINC000848015963 1321923191 /nfs/dbraw/zinc/92/31/91/1321923191.db2.gz YOQCHHGJBRVHDU-UHFFFAOYSA-N 0 0 336.395 3.447 20 10 EGCDRN O=C(C[C@@H]1CCCC[C@H]1O)NCc1ccc(N2CCCCC2)cc1 ZINC000848226467 1321944980 /nfs/dbraw/zinc/94/49/80/1321944980.db2.gz QWPCKWNPFHNCLH-PKOBYXMFSA-N 0 0 330.472 3.234 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000848564871 1321976849 /nfs/dbraw/zinc/97/68/49/1321976849.db2.gz QYFSYIALNNLJFY-BDAKNGLRSA-N 0 0 341.242 3.036 20 10 EGCDRN CC(C)[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(=O)[O-] ZINC000848639079 1321983796 /nfs/dbraw/zinc/98/37/96/1321983796.db2.gz FMZTUOXNERPEKM-CYBMUJFWSA-N 0 0 332.366 3.218 20 10 EGCDRN CCc1cccc(CN2CCN(C(=O)c3cc(C)oc3C)CC2)c1O ZINC000848881920 1322028245 /nfs/dbraw/zinc/02/82/45/1322028245.db2.gz KRNFZMLXDBGFHN-UHFFFAOYSA-N 0 0 342.439 3.122 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1[O-] ZINC000848925172 1322047162 /nfs/dbraw/zinc/04/71/62/1322047162.db2.gz PPBJCOTWJMXYDV-AWEZNQCLSA-N 0 0 340.807 3.487 20 10 EGCDRN CCc1nnc([C@@H](C)NCc2cc(OC)cc(C(C)(C)C)c2O)[nH]1 ZINC000850228362 1322211017 /nfs/dbraw/zinc/21/10/17/1322211017.db2.gz PICZFNWSLMRQJM-LLVKDONJSA-N 0 0 332.448 3.230 20 10 EGCDRN C[C@@H](NC(=O)/C=C\c1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000920879390 1322230556 /nfs/dbraw/zinc/23/05/56/1322230556.db2.gz KTUKGUVFARHTOC-WHLNPGIBSA-N 0 0 342.464 3.475 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)c1 ZINC000850543786 1322262498 /nfs/dbraw/zinc/26/24/98/1322262498.db2.gz PYYBPUMJQQPWFI-APPDUMDISA-N 0 0 327.380 3.223 20 10 EGCDRN CCS(=O)(=O)N(C)c1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000850549218 1322263588 /nfs/dbraw/zinc/26/35/88/1322263588.db2.gz GCDABOFRKZALEU-ZDUSSCGKSA-N 0 0 334.441 3.351 20 10 EGCDRN O=C1CCCN1c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921504015 1322331469 /nfs/dbraw/zinc/33/14/69/1322331469.db2.gz HEJLVFTWBVTYMN-UHFFFAOYSA-N 0 0 336.435 3.428 20 10 EGCDRN CCOCc1cc(CNCc2nc3c(s2)CCC3)ccc1OC ZINC000922470695 1322535494 /nfs/dbraw/zinc/53/54/94/1322535494.db2.gz QQAANECBNVBNEK-UHFFFAOYSA-N 0 0 332.469 3.467 20 10 EGCDRN CNc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000859739935 1329067813 /nfs/dbraw/zinc/06/78/13/1329067813.db2.gz FKMROPUFMOZYDF-UHFFFAOYSA-N 0 0 340.427 3.091 20 10 EGCDRN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)Cc1ccc(N)cc1 ZINC000851644859 1323068112 /nfs/dbraw/zinc/06/81/12/1323068112.db2.gz ABZDTQXEMDHZBX-GOSISDBHSA-N 0 0 342.414 3.329 20 10 EGCDRN CCC[C@](C)(O)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000859739341 1329067592 /nfs/dbraw/zinc/06/75/92/1329067592.db2.gz GAKJWTLSUMFJHO-FQEVSTJZSA-N 0 0 342.439 3.188 20 10 EGCDRN CN1CCCc2cc(CNC(=O)NCCCOC(C)(C)C)ccc21 ZINC000852550917 1323206916 /nfs/dbraw/zinc/20/69/16/1323206916.db2.gz IKBSKMBVTKIITE-UHFFFAOYSA-N 0 0 333.476 3.073 20 10 EGCDRN COc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2C)c1C ZINC000852700899 1323228247 /nfs/dbraw/zinc/22/82/47/1323228247.db2.gz WDBVTVULHIYPKY-UHFFFAOYSA-N 0 0 341.455 3.377 20 10 EGCDRN Nc1ccc(CC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)cc1 ZINC000852844132 1323247865 /nfs/dbraw/zinc/24/78/65/1323247865.db2.gz QTQOFTIXNMWNGO-OAHLLOKOSA-N 0 0 343.858 3.107 20 10 EGCDRN CC[C@@H](C)N(CC)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000853487675 1325102096 /nfs/dbraw/zinc/10/20/96/1325102096.db2.gz UJRSFXUMPWTJPX-CVEARBPZSA-N 0 0 333.476 3.414 20 10 EGCDRN CCCc1nsc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853955399 1325191677 /nfs/dbraw/zinc/19/16/77/1325191677.db2.gz NBLGTAOKSJKJDP-UHFFFAOYSA-N 0 0 332.473 3.064 20 10 EGCDRN CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1(CO)CCC1 ZINC000854002504 1325201192 /nfs/dbraw/zinc/20/11/92/1325201192.db2.gz AUNJGOYMHDQGAG-MAUKXSAKSA-N 0 0 347.503 3.300 20 10 EGCDRN Cc1ccncc1CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000854947903 1325327092 /nfs/dbraw/zinc/32/70/92/1325327092.db2.gz HODVYNZUGFMFNC-INIZCTEOSA-N 0 0 325.456 3.054 20 10 EGCDRN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)C1=CC(=O)CS1 ZINC000854964716 1325328935 /nfs/dbraw/zinc/32/89/35/1325328935.db2.gz NZJIIKJWXAFVQB-QWRGUYRKSA-N 0 0 325.430 3.036 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C=C(/C)c3ccco3)C2)cc1 ZINC000854980983 1325331484 /nfs/dbraw/zinc/33/14/84/1325331484.db2.gz JULNEMJOHQRLIN-IRVMHKCDSA-N 0 0 340.423 3.334 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCO)c(C)n1-c1ccccn1 ZINC000855537429 1325392689 /nfs/dbraw/zinc/39/26/89/1325392689.db2.gz BEZLLAQNAPCDHN-RDTXWAMCSA-N 0 0 341.455 3.112 20 10 EGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)c1 ZINC000856207944 1325464034 /nfs/dbraw/zinc/46/40/34/1325464034.db2.gz CJUHLKKSUQSCFO-UHFFFAOYSA-N 0 0 338.451 3.195 20 10 EGCDRN C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209705 1325464140 /nfs/dbraw/zinc/46/41/40/1325464140.db2.gz YGOSMVLJGUZMPR-DNVCBOLYSA-N 0 0 330.472 3.090 20 10 EGCDRN O=C(/C=C/C1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209420 1325464350 /nfs/dbraw/zinc/46/43/50/1325464350.db2.gz MOMIEKUHJNYXNK-JXMROGBWSA-N 0 0 328.456 3.010 20 10 EGCDRN CC1(C)CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856212629 1325465827 /nfs/dbraw/zinc/46/58/27/1325465827.db2.gz PLJDDPMWVAMBTH-MRXNPFEDSA-N 0 0 330.472 3.090 20 10 EGCDRN Cc1ccccc1COCC(=O)NCc1ccc(N(C)C)cc1C ZINC000857127794 1325577130 /nfs/dbraw/zinc/57/71/30/1325577130.db2.gz VQNXZMZLJUGVFA-UHFFFAOYSA-N 0 0 326.440 3.202 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@H]2CCSC2)c1 ZINC000860424589 1329315469 /nfs/dbraw/zinc/31/54/69/1329315469.db2.gz WDLZRTOFYHTMNP-SFHVURJKSA-N 0 0 342.464 3.484 20 10 EGCDRN C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000927861940 1328151235 /nfs/dbraw/zinc/15/12/35/1328151235.db2.gz QFKWYLUSVJMJPR-KDOFPFPSSA-N 0 0 337.423 3.002 20 10 EGCDRN COCC1(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CCC1 ZINC000861602464 1329430305 /nfs/dbraw/zinc/43/03/05/1329430305.db2.gz NDXDOKJNRSEEIM-UHFFFAOYSA-N 0 0 340.423 3.206 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CSC[C@H]2C)c1 ZINC000861670267 1329435528 /nfs/dbraw/zinc/43/55/28/1329435528.db2.gz DPZUVZWUMGNUQM-KZULUSFZSA-N 0 0 342.464 3.388 20 10 EGCDRN CC[C@@H](NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)[C@@H](C)O ZINC000861903764 1329449000 /nfs/dbraw/zinc/44/90/00/1329449000.db2.gz QIKQWQALAYVNBB-CRAIPNDOSA-N 0 0 342.439 3.104 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000862023867 1329455880 /nfs/dbraw/zinc/45/58/80/1329455880.db2.gz MOAVQQVBRQJDJE-UHFFFAOYSA-N 0 0 340.423 3.387 20 10 EGCDRN CNC(=O)c1ccc(CN(C)Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000862214683 1329466193 /nfs/dbraw/zinc/46/61/93/1329466193.db2.gz ZXMAFEWALFCCQA-UHFFFAOYSA-N 0 0 347.409 3.022 20 10 EGCDRN CN(C)c1cc(F)c(CN(C)[C@@H]2CCCc3c2cnn3C)cc1F ZINC000862250043 1329471324 /nfs/dbraw/zinc/47/13/24/1329471324.db2.gz CTJFRQWBVCXVHK-MRXNPFEDSA-N 0 0 334.414 3.274 20 10 EGCDRN C[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H](C2CC2)O1 ZINC000862350639 1329476986 /nfs/dbraw/zinc/47/69/86/1329476986.db2.gz CYXICTJKJMZMCI-BONVTDFDSA-N 0 0 326.234 3.154 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000862755633 1329506856 /nfs/dbraw/zinc/50/68/56/1329506856.db2.gz VSCNJZNPQJJFSU-JKSUJKDBSA-N 0 0 326.352 3.029 20 10 EGCDRN CCOc1ccc(C(=O)CCC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862761257 1329507522 /nfs/dbraw/zinc/50/75/22/1329507522.db2.gz LDIDMUAQPALHGS-UHFFFAOYSA-N 0 0 341.407 3.379 20 10 EGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000862790878 1329509542 /nfs/dbraw/zinc/50/95/42/1329509542.db2.gz STHBYGHMLDEYPX-SFHVURJKSA-N 0 0 343.404 3.094 20 10 EGCDRN CCOC(=O)C1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000863166337 1329531877 /nfs/dbraw/zinc/53/18/77/1329531877.db2.gz XWCTZZQYTVPUAJ-UHFFFAOYSA-N 0 0 340.423 3.054 20 10 EGCDRN Cc1cc(CN2C(=O)[C@H](C)N(C3CC3)C2=O)c(C)n1-c1ccccc1 ZINC000863532908 1329561214 /nfs/dbraw/zinc/56/12/14/1329561214.db2.gz NAFFJKMHNZOJBV-HNNXBMFYSA-N 0 0 337.423 3.409 20 10 EGCDRN CC(C)(C)C[C@H]([NH2+]Cc1c(O)cccc1Br)C(=O)[O-] ZINC000864506856 1329619874 /nfs/dbraw/zinc/61/98/74/1329619874.db2.gz CRLBALJSGBRTHG-NSHDSACASA-N 0 0 330.222 3.134 20 10 EGCDRN COC(=O)CCCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000863944009 1329590524 /nfs/dbraw/zinc/59/05/24/1329590524.db2.gz AWTVUBNHOWJJMV-UHFFFAOYSA-N 0 0 342.439 3.096 20 10 EGCDRN O=C([O-])[C@@H]1CCCCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000864516527 1329621099 /nfs/dbraw/zinc/62/10/99/1329621099.db2.gz JRWHDXWSYPQIFW-MFKMUULPSA-N 0 0 342.233 3.278 20 10 EGCDRN CCC(C)(C)[C@@H]([NH2+]Cc1c(O)cccc1Br)C(=O)[O-] ZINC000864516845 1329621128 /nfs/dbraw/zinc/62/11/28/1329621128.db2.gz RMAXYHKRBWACRX-LBPRGKRZSA-N 0 0 330.222 3.134 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)c2nnc(C(C)(C)C)o2)cc1 ZINC000865907887 1329750934 /nfs/dbraw/zinc/75/09/34/1329750934.db2.gz MBITTWFFGODTJA-UHFFFAOYSA-N 0 0 330.432 3.143 20 10 EGCDRN CCN(C)c1ccc(CN2CCn3c(cnc3C(F)(F)F)C2)cc1 ZINC000932579885 1329824515 /nfs/dbraw/zinc/82/45/15/1329824515.db2.gz DRZURIBEAIDMCG-UHFFFAOYSA-N 0 0 338.377 3.374 20 10 EGCDRN CC(C)Cc1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)s1 ZINC000933814225 1329925563 /nfs/dbraw/zinc/92/55/63/1329925563.db2.gz DMPILWVKPMUVMH-UHFFFAOYSA-N 0 0 345.468 3.447 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(c3ccccc3)CCCO2)c1 ZINC000934940501 1330019050 /nfs/dbraw/zinc/01/90/50/1330019050.db2.gz NPOAEPKNQHHSJB-XOBRGWDASA-N 0 0 341.407 3.284 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CCOc3ccccc32)c1 ZINC000934941513 1330019134 /nfs/dbraw/zinc/01/91/34/1330019134.db2.gz ZYPULQIIWKWZOS-XCLFUZPHSA-N 0 0 341.407 3.318 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2ccncc2s1 ZINC000935945584 1330098001 /nfs/dbraw/zinc/09/80/01/1330098001.db2.gz CVEPXJSAGVCCCT-UHFFFAOYSA-N 0 0 333.409 3.418 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(Cl)s1 ZINC000935945657 1330098215 /nfs/dbraw/zinc/09/82/15/1330098215.db2.gz FUYKQBYYZPTDBU-UHFFFAOYSA-N 0 0 330.833 3.452 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000935945811 1330098217 /nfs/dbraw/zinc/09/82/17/1330098217.db2.gz LODIAHACNNUETH-CQSZACIVSA-N 0 0 337.243 3.468 20 10 EGCDRN COC/C=C\C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000868064994 1330245654 /nfs/dbraw/zinc/24/56/54/1330245654.db2.gz ITIHVCXGDJCAIV-SDQPKGBYSA-N 0 0 336.863 3.395 20 10 EGCDRN CCOc1ccccc1CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868202246 1330261645 /nfs/dbraw/zinc/26/16/45/1330261645.db2.gz PFOPMWSHZYRUHM-CQSZACIVSA-N 0 0 328.412 3.394 20 10 EGCDRN C[C@@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1O ZINC000868441378 1330281065 /nfs/dbraw/zinc/28/10/65/1330281065.db2.gz SREORJWWDWHPKU-ODVANORSSA-N 0 0 330.428 3.100 20 10 EGCDRN C[C@@H](NC(=O)NCCCCC(=O)OC(C)(C)C)c1ccccc1O ZINC000868476031 1330284324 /nfs/dbraw/zinc/28/43/24/1330284324.db2.gz PKCKITYRJSPYGT-CYBMUJFWSA-N 0 0 336.432 3.264 20 10 EGCDRN C[C@@H](NC(=O)N[C@@H]1CCc2ccccc2OC1)c1ccccc1O ZINC000868584617 1330296983 /nfs/dbraw/zinc/29/69/83/1330296983.db2.gz DCEZDCFPTHQWEJ-UKRRQHHQSA-N 0 0 326.396 3.146 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)NCc3ccc(C)o3)CC2)cc1 ZINC000868968965 1330383723 /nfs/dbraw/zinc/38/37/23/1330383723.db2.gz GPYDRWVLBNBVCR-UHFFFAOYSA-N 0 0 343.427 3.019 20 10 EGCDRN CC[C@@H]([NH2+]Cc1nnc(C)n1C)c1cc(Cl)cc(Cl)c1[O-] ZINC001322975257 1387258404 /nfs/dbraw/zinc/25/84/04/1387258404.db2.gz OZMIMRDRCNVXCP-GFCCVEGCSA-N 0 0 329.231 3.377 20 10 EGCDRN CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001183395305 1387306587 /nfs/dbraw/zinc/30/65/87/1387306587.db2.gz KWGFXQCDBIVOMA-GFCCVEGCSA-N 0 0 327.371 3.224 20 10 EGCDRN O=C(Cc1cc2cccnc2cc1F)N1CCc2cccc(O)c2C1 ZINC001183852240 1387359452 /nfs/dbraw/zinc/35/94/52/1387359452.db2.gz JAZUQMXVZZPGRW-UHFFFAOYSA-N 0 0 336.366 3.207 20 10 EGCDRN CCOc1ccc(N2CCN(C(=O)CCCOC(C)(C)C)CC2)cc1 ZINC001323560147 1387389488 /nfs/dbraw/zinc/38/94/88/1387389488.db2.gz DVJGXCGIZXAKNO-UHFFFAOYSA-N 0 0 348.487 3.329 20 10 EGCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1CCCC[C@@H]1CO ZINC001184167651 1387407587 /nfs/dbraw/zinc/40/75/87/1387407587.db2.gz XUQJPEDHVPNIEB-YPMHNXCESA-N 0 0 348.830 3.009 20 10 EGCDRN O=C(CC1CC1)NCCC1=CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001089797922 1360668083 /nfs/dbraw/zinc/66/80/83/1360668083.db2.gz MGHLHRVZSMQTBA-UHFFFAOYSA-N 0 0 347.390 3.177 20 10 EGCDRN CC(C)CC(=O)NCCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001089799688 1360668345 /nfs/dbraw/zinc/66/83/45/1360668345.db2.gz MNKCBPYFTYXCCM-UHFFFAOYSA-N 0 0 331.416 3.284 20 10 EGCDRN C[C@H]1C[C@H]1C(=O)NCCC1=CCN(c2ccnc(C(C)(C)C)n2)CC1 ZINC001089802830 1360670099 /nfs/dbraw/zinc/67/00/99/1360670099.db2.gz YVVLUHJCOGYREM-GOEBONIOSA-N 0 0 342.487 3.073 20 10 EGCDRN O=C(NCCC1=CCN(c2ncnc3ccccc32)CC1)c1ccco1 ZINC001089805824 1360671360 /nfs/dbraw/zinc/67/13/60/1360671360.db2.gz GQVKQNMUQUTWFU-UHFFFAOYSA-N 0 0 348.406 3.179 20 10 EGCDRN CC(C)c1nccc(N2CC=C(CCNC(=O)c3ccco3)CC2)n1 ZINC001089805946 1360671386 /nfs/dbraw/zinc/67/13/86/1360671386.db2.gz KACNAFYVGGFEMG-UHFFFAOYSA-N 0 0 340.427 3.150 20 10 EGCDRN CCC(CC)C(=O)NCCC1=CCN(c2nc(C)ncc2C)CC1 ZINC001089807506 1360672024 /nfs/dbraw/zinc/67/20/24/1360672024.db2.gz ODYJTDNCAHOPPU-UHFFFAOYSA-N 0 0 330.476 3.172 20 10 EGCDRN CC[C@H](C)C(=O)NCCC1=CCN(c2nc(C)nc(C)c2C)CC1 ZINC001089812087 1360674066 /nfs/dbraw/zinc/67/40/66/1360674066.db2.gz QJBDIDMSTFNOCQ-ZDUSSCGKSA-N 0 0 330.476 3.091 20 10 EGCDRN C/C=C(/C)C(=O)NCCC1=CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001089820311 1360678106 /nfs/dbraw/zinc/67/81/06/1360678106.db2.gz BRGDSDNAPNIJKU-DXNYSGJVSA-N 0 0 347.390 3.343 20 10 EGCDRN C/C=C(/C)C(=O)NCCC1=CCN(c2cnc3ccccc3n2)CC1 ZINC001089819561 1360678187 /nfs/dbraw/zinc/67/81/87/1360678187.db2.gz MMCVCULVIUTKQV-CQPUUCJISA-N 0 0 336.439 3.239 20 10 EGCDRN CC(C)(C)CCCC(=O)NCCC1=CCN(c2nccnc2F)CC1 ZINC001089820020 1360678419 /nfs/dbraw/zinc/67/84/19/1360678419.db2.gz QZSWBVKXQQCRHW-UHFFFAOYSA-N 0 0 348.466 3.475 20 10 EGCDRN C/C=C(/C)C(=O)NCCC1=CCN(c2ncnc3ccsc32)CC1 ZINC001089820561 1360678748 /nfs/dbraw/zinc/67/87/48/1360678748.db2.gz FPBYULBQDWFEPT-DXNYSGJVSA-N 0 0 342.468 3.300 20 10 EGCDRN O=C(NCCC1=CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001089821109 1360678833 /nfs/dbraw/zinc/67/88/33/1360678833.db2.gz SJTRDKALPMTDLL-UHFFFAOYSA-N 0 0 341.411 3.348 20 10 EGCDRN O=C(CCC1CCC1)NCCC1=CCN(c2cncc(Cl)n2)CC1 ZINC001089823611 1360680792 /nfs/dbraw/zinc/68/07/92/1360680792.db2.gz KJYXRJXFUOPGAU-UHFFFAOYSA-N 0 0 348.878 3.353 20 10 EGCDRN CCc1cc(N2CC=C(CCNC(=O)[C@H](C)C3CC3)CC2)nc(C)n1 ZINC001089825960 1360682104 /nfs/dbraw/zinc/68/21/04/1360682104.db2.gz OBVVMVISMNHZHT-CQSZACIVSA-N 0 0 342.487 3.036 20 10 EGCDRN CC(C)(C)C(=O)NCCC1=CCN(c2ncnc3ccccc32)CC1 ZINC001089832241 1360685282 /nfs/dbraw/zinc/68/52/82/1360685282.db2.gz PKLJBWJIQRPTGV-UHFFFAOYSA-N 0 0 338.455 3.319 20 10 EGCDRN CC(C)OCCCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089835634 1360688449 /nfs/dbraw/zinc/68/84/49/1360688449.db2.gz JHUMKSORACGDJY-UHFFFAOYSA-N 0 0 349.450 3.069 20 10 EGCDRN CCC1(C(=O)NCCC2=CCN(c3cnc(F)cn3)CC2)CCCC1 ZINC001089840575 1360690593 /nfs/dbraw/zinc/69/05/93/1360690593.db2.gz WDIJDBNAOQBNSA-UHFFFAOYSA-N 0 0 346.450 3.229 20 10 EGCDRN C[C@@H]1CC[C@H](C(=O)NCCC2=CCN(c3cccc(F)n3)CC2)C1 ZINC001089843432 1360692720 /nfs/dbraw/zinc/69/27/20/1360692720.db2.gz FVQXFQIVIWIUOE-ZBFHGGJFSA-N 0 0 331.435 3.300 20 10 EGCDRN Cc1ccc(N2CC=C(CCNC(=O)C[C@H]3C=CCCC3)CC2)nn1 ZINC001089848314 1360696037 /nfs/dbraw/zinc/69/60/37/1360696037.db2.gz CXENIZLGEGSDJO-SFHVURJKSA-N 0 0 340.471 3.174 20 10 EGCDRN Cc1nccc(N2CC=C(CCNC(=O)C[C@H]3C=CCCC3)CC2)n1 ZINC001089848844 1360696094 /nfs/dbraw/zinc/69/60/94/1360696094.db2.gz NGNLZRIAWPHULB-SFHVURJKSA-N 0 0 340.471 3.174 20 10 EGCDRN O=C(CCCF)NCCC1=CCN(c2ncnc3ccccc32)CC1 ZINC001089849789 1360696340 /nfs/dbraw/zinc/69/63/40/1360696340.db2.gz CJXKMAMOSFPYRO-UHFFFAOYSA-N 0 0 342.418 3.022 20 10 EGCDRN 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C[C@@H]1CCC[C@@H]1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000185887081 455643373 /nfs/dbraw/zinc/64/33/73/455643373.db2.gz UOKIKLHEKJOIDZ-SJLPKXTDSA-N 0 0 330.472 3.308 20 10 EGCDRN COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000284230753 455654679 /nfs/dbraw/zinc/65/46/79/455654679.db2.gz DJUXSAIFFYWQFH-ACJLOTCBSA-N 0 0 332.419 3.493 20 10 EGCDRN Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c(O)c1O ZINC000185978295 455667076 /nfs/dbraw/zinc/66/70/76/455667076.db2.gz IACQNYMASJBXAK-OAHLLOKOSA-N 0 0 347.798 3.273 20 10 EGCDRN CCN(Cc1ncn(-c2ccccc2)n1)c1ccc(OC)c(OC)c1 ZINC000271564866 455685208 /nfs/dbraw/zinc/68/52/08/455685208.db2.gz OXAPEKREOUOCNP-UHFFFAOYSA-N 0 0 338.411 3.311 20 10 EGCDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000271565369 455685999 /nfs/dbraw/zinc/68/59/99/455685999.db2.gz WMHABOTVCWRHLQ-APPDUMDISA-N 0 0 334.347 3.305 20 10 EGCDRN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1nncn1C ZINC000268868590 455715817 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ZINC000269167654 455801780 /nfs/dbraw/zinc/80/17/80/455801780.db2.gz QPRZLLYCALITGQ-UHFFFAOYSA-N 0 0 348.443 3.236 20 10 EGCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000294599581 455821234 /nfs/dbraw/zinc/82/12/34/455821234.db2.gz REAVFIFBVLADGH-RYRKJORJSA-N 0 0 330.472 3.212 20 10 EGCDRN Oc1ccccc1CN(Cc1cc(F)ncc1F)C[C@@H]1CCCO1 ZINC000294622622 455821492 /nfs/dbraw/zinc/82/14/92/455821492.db2.gz YRPSHJMQFYLLFU-HNNXBMFYSA-N 0 0 334.366 3.247 20 10 EGCDRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccccc1O ZINC000294769848 455826339 /nfs/dbraw/zinc/82/63/39/455826339.db2.gz BTIJZPZXAOBRLZ-CYBMUJFWSA-N 0 0 336.432 3.044 20 10 EGCDRN Cc1sccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000294852174 455829507 /nfs/dbraw/zinc/82/95/07/455829507.db2.gz NNJPZDXJKOCNPG-UHFFFAOYSA-N 0 0 348.443 3.087 20 10 EGCDRN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c(F)ccc(O)c1O ZINC000294872904 455831184 /nfs/dbraw/zinc/83/11/84/455831184.db2.gz FFEKWAQZJHRDTO-SWLSCSKDSA-N 0 0 349.333 3.026 20 10 EGCDRN CC[C@H](C)[C@@H](NC(=O)NCc1cccc(OC)c1O)C(F)(F)F ZINC000278462889 455835904 /nfs/dbraw/zinc/83/59/04/455835904.db2.gz HKWXDGOPDVVVQP-TVQRCGJNSA-N 0 0 334.338 3.177 20 10 EGCDRN COc1cccc(CNC(=O)C2CCC(C(F)(F)F)CC2)c1O ZINC000278443199 455836603 /nfs/dbraw/zinc/83/66/03/455836603.db2.gz PTMRBMYJIMFWFC-UHFFFAOYSA-N 0 0 331.334 3.386 20 10 EGCDRN COCCCOc1ccc(NCc2cccc(OC)c2O)cc1OC ZINC000285406465 455838593 /nfs/dbraw/zinc/83/85/93/455838593.db2.gz FNPRWELBQBQPMA-UHFFFAOYSA-N 0 0 347.411 3.437 20 10 EGCDRN CO[C@H](CS(=O)(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 ZINC000295151464 455840806 /nfs/dbraw/zinc/84/08/06/455840806.db2.gz BSYLERSSLICIAD-QGZVFWFLSA-N 0 0 349.452 3.447 20 10 EGCDRN CCN(C(=O)CSc1ncc(C(=O)OC)s1)C1CCCCC1 ZINC000295163460 455841458 /nfs/dbraw/zinc/84/14/58/455841458.db2.gz HGWMFMMHFCPRPF-UHFFFAOYSA-N 0 0 342.486 3.203 20 10 EGCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)NC2CCC(C)CC2)s1 ZINC000295317374 455845940 /nfs/dbraw/zinc/84/59/40/455845940.db2.gz NWHCDQNFPWUJFX-YVNMAJEFSA-N 0 0 342.486 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CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OCOC)cc1 ZINC001191272074 1367463839 /nfs/dbraw/zinc/46/38/39/1367463839.db2.gz NCPNSMHUCGPOLZ-UHFFFAOYSA-N 0 0 342.439 3.398 20 10 EGCDRN COc1ccc(C(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1O ZINC001191688934 1367561187 /nfs/dbraw/zinc/56/11/87/1367561187.db2.gz KIKYTZXNCWIHMW-UHFFFAOYSA-N 0 0 349.452 3.345 20 10 EGCDRN Cc1cc(S(=O)(=O)Nc2c(C)cc(O)cc2C)cnc1Cl ZINC001192571860 1367821761 /nfs/dbraw/zinc/82/17/61/1367821761.db2.gz NQISIZWOMWEKFB-UHFFFAOYSA-N 0 0 326.805 3.167 20 10 EGCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccc(O)c(F)c1 ZINC001186236596 1387902553 /nfs/dbraw/zinc/90/25/53/1387902553.db2.gz HEHBYAWRDZFLAB-UHFFFAOYSA-N 0 0 346.745 3.369 20 10 EGCDRN Cn1ccc2cc(CNC(=O)c3ccc(O)c(O)c3Cl)ccc21 ZINC001193209899 1367967063 /nfs/dbraw/zinc/96/70/63/1367967063.db2.gz PTELFLICDRNNOI-UHFFFAOYSA-N 0 0 330.771 3.173 20 10 EGCDRN COc1cc(Cl)ncc1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193219388 1367970056 /nfs/dbraw/zinc/97/00/56/1367970056.db2.gz GTLSEBVSOFWIOZ-UHFFFAOYSA-N 0 0 329.139 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COc1ccc(Cl)cc1CCNC(=O)NCCc1ccc(N)cc1 ZINC001325665892 1388025976 /nfs/dbraw/zinc/02/59/76/1388025976.db2.gz IQOZEVKTVYDEGK-UHFFFAOYSA-N 0 0 347.846 3.015 20 10 EGCDRN CN1CCN(c2ccc(CN[C@H](C3CC3)C(F)(F)F)cc2F)CC1 ZINC001325738726 1388036976 /nfs/dbraw/zinc/03/69/76/1388036976.db2.gz ODZTVSMFDKGRCI-MRXNPFEDSA-N 0 0 345.384 3.008 20 10 EGCDRN O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1c1cccc(F)c1 ZINC001203552199 1370166814 /nfs/dbraw/zinc/16/68/14/1370166814.db2.gz DPGXFFYEYVZVJD-HXUWFJFHSA-N 0 0 340.398 3.160 20 10 EGCDRN CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccccc1O)[C@@H]2C ZINC001203552189 1370167145 /nfs/dbraw/zinc/16/71/45/1370167145.db2.gz DIFXSVUXHFSCLH-OAHLLOKOSA-N 0 0 328.460 3.006 20 10 EGCDRN Cc1cc([C@@H](C)N2C(=O)CN(Cc3ccccc3O)C2=O)c(C)o1 ZINC001325844474 1388054637 /nfs/dbraw/zinc/05/46/37/1388054637.db2.gz VCULIYVLTUGFGH-GFCCVEGCSA-N 0 0 328.368 3.127 20 10 EGCDRN CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)ccc1O ZINC001203651804 1370202243 /nfs/dbraw/zinc/20/22/43/1370202243.db2.gz 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Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001117721896 1371069532 /nfs/dbraw/zinc/06/95/32/1371069532.db2.gz BAXJMKQTFPPTIV-LBPRGKRZSA-N 0 0 337.826 3.373 20 10 EGCDRN CN1CCCc2cc(CNC(=O)Nc3cccc4c3OCC4)ccc21 ZINC001118912718 1371249034 /nfs/dbraw/zinc/24/90/34/1371249034.db2.gz DZXRSTHQHIGHOA-UHFFFAOYSA-N 0 0 337.423 3.326 20 10 EGCDRN COc1ccc(CN2CCCN(C)c3ccccc32)c(O)c1OC ZINC001119970074 1371436209 /nfs/dbraw/zinc/43/62/09/1371436209.db2.gz NMDLJPBWLLONSL-UHFFFAOYSA-N 0 0 328.412 3.256 20 10 EGCDRN CCCCc1ccc(NC(=O)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 ZINC001187721144 1388150005 /nfs/dbraw/zinc/15/00/05/1388150005.db2.gz QGCMYQGGTKLGRW-GOSISDBHSA-N 0 0 344.411 3.296 20 10 EGCDRN COC(=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001120637789 1371673956 /nfs/dbraw/zinc/67/39/56/1371673956.db2.gz YHLRYSGDQLETJM-ZDUSSCGKSA-N 0 0 326.396 3.030 20 10 EGCDRN CCn1c(-c2ccc(COC)o2)nnc1N(C)Cc1ccccc1O ZINC001121779943 1372079316 /nfs/dbraw/zinc/07/93/16/1372079316.db2.gz KAMAYIZACQZIOA-UHFFFAOYSA-N 0 0 342.399 3.046 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(CN2CCC(S(C)(=O)=O)CC2)cc1 ZINC001209518835 1372126963 /nfs/dbraw/zinc/12/69/63/1372126963.db2.gz UEMQCMJADACFKI-UHFFFAOYSA-N 0 0 346.496 3.103 20 10 EGCDRN COC1C[C@@H]2COC[C@H](C1)N2Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209518869 1372127274 /nfs/dbraw/zinc/12/72/74/1372127274.db2.gz VIVPRRDKECFQFE-WCRBZPEASA-N 0 0 340.467 3.472 20 10 EGCDRN NC(=O)c1cccc(Br)c1Nc1ccc2c(c1)OCCN2 ZINC001209766553 1372189533 /nfs/dbraw/zinc/18/95/33/1372189533.db2.gz BQBVGJJPRZFYLT-UHFFFAOYSA-N 0 0 348.200 3.096 20 10 EGCDRN O=C1c2ccccc2C(=O)c2cc(Nc3ncccc3F)c(O)cc21 ZINC001209811605 1372205449 /nfs/dbraw/zinc/20/54/49/1372205449.db2.gz UJSXHTLUJDQBHJ-UHFFFAOYSA-N 0 0 334.306 3.445 20 10 EGCDRN CCOC(=O)c1ccc2nccc(Nc3ccc(F)cc3O)c2c1 ZINC001210015567 1372256437 /nfs/dbraw/zinc/25/64/37/1372256437.db2.gz FXSKYZVQZFMWDI-UHFFFAOYSA-N 0 0 326.327 3.422 20 10 EGCDRN COc1ccc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)c([O-])c1Cl ZINC001210383094 1372339233 /nfs/dbraw/zinc/33/92/33/1372339233.db2.gz KMKRDFINWAKIFY-MRXNPFEDSA-N 0 0 346.858 3.071 20 10 EGCDRN CSc1ccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc1F ZINC001211109771 1372486785 /nfs/dbraw/zinc/48/67/85/1372486785.db2.gz AZQSCCRQZFNQAE-UHFFFAOYSA-N 0 0 340.445 3.096 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1[C@@H](C)C1(F)F ZINC001123760535 1372580222 /nfs/dbraw/zinc/58/02/22/1372580222.db2.gz LWYLZMKGOLZGPA-PELKAZGASA-N 0 0 348.187 3.404 20 10 EGCDRN Cc1c(F)cc(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)cc1F ZINC001211665247 1372599150 /nfs/dbraw/zinc/59/91/50/1372599150.db2.gz MNYRPJGPGVHODE-HNNXBMFYSA-N 0 0 348.305 3.011 20 10 EGCDRN Cc1snnc1-c1nc(-c2ncc(C)cc2Br)no1 ZINC001212405588 1372700934 /nfs/dbraw/zinc/70/09/34/1372700934.db2.gz XJUZDQDAADMJIV-UHFFFAOYSA-N 0 0 338.190 3.029 20 10 EGCDRN CC(C)c1snnc1-c1nc(-c2ccc(C3OCCO3)cc2)no1 ZINC001212687084 1372752870 /nfs/dbraw/zinc/75/28/70/1372752870.db2.gz ANEIRDZDZZVYNO-UHFFFAOYSA-N 0 0 344.396 3.424 20 10 EGCDRN 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C[C@H](O)C[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000268320631 455649744 /nfs/dbraw/zinc/64/97/44/455649744.db2.gz JUUYTSRIQUTWGD-MAUKXSAKSA-N 0 0 342.439 3.088 20 10 EGCDRN CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192993028 455731548 /nfs/dbraw/zinc/73/15/48/455731548.db2.gz CTLCXAYOCNLMBZ-BDAKNGLRSA-N 0 0 340.272 3.173 20 10 EGCDRN CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192993055 455731682 /nfs/dbraw/zinc/73/16/82/455731682.db2.gz CTLCXAYOCNLMBZ-RKDXNWHRSA-N 0 0 340.272 3.173 20 10 EGCDRN CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1=O ZINC000192998224 455732665 /nfs/dbraw/zinc/73/26/65/455732665.db2.gz HIQVPEWWUZNZGB-TVQRCGJNSA-N 0 0 331.243 3.359 20 10 EGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1sccc1Cl ZINC000285093839 455787563 /nfs/dbraw/zinc/78/75/63/455787563.db2.gz LJIKEABKKYJRBZ-UHFFFAOYSA-N 0 0 336.844 3.168 20 10 EGCDRN COc1c([O-])c(C[N@H+](C)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278216905 455788812 /nfs/dbraw/zinc/78/88/12/455788812.db2.gz LBHAMHQMWCFGQR-HNNXBMFYSA-N 0 0 328.368 3.428 20 10 EGCDRN CC(=O)N1CC[N@H+](Cc2cccc(Cl)c2[O-])CC12CCCCC2 ZINC000271869885 455793717 /nfs/dbraw/zinc/79/37/17/455793717.db2.gz RWJBITDEMGRMCM-UHFFFAOYSA-N 0 0 336.863 3.413 20 10 EGCDRN CC(=O)c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cs1 ZINC000293758766 455797563 /nfs/dbraw/zinc/79/75/63/455797563.db2.gz RORKWISTKBDYLA-UHFFFAOYSA-N 0 0 329.421 3.465 20 10 EGCDRN CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc(Cl)cc(Cl)c1[O-] ZINC000293813182 455797771 /nfs/dbraw/zinc/79/77/71/455797771.db2.gz VWIOCCCJXADORG-UHIISALHSA-N 0 0 334.243 3.280 20 10 EGCDRN CNC(=O)COc1ccc(N[C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000285248790 455811389 /nfs/dbraw/zinc/81/13/89/455811389.db2.gz PWDNTNDANSZLJM-CQSZACIVSA-N 0 0 328.412 3.307 20 10 EGCDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccccc1O ZINC000272003341 455817555 /nfs/dbraw/zinc/81/75/55/455817555.db2.gz UPUAKBPYJHIZBW-PXAZEXFGSA-N 0 0 332.375 3.107 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)c1Cl ZINC000294578791 455820849 /nfs/dbraw/zinc/82/08/49/455820849.db2.gz UYFLGWFIIKAUQR-UHFFFAOYSA-N 0 0 334.851 3.190 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCO[C@H](C)C3)cc2)CC1 ZINC000272059454 455835123 /nfs/dbraw/zinc/83/51/23/455835123.db2.gz JTZFWIJURORFGQ-AEFFLSMTSA-N 0 0 330.472 3.354 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000278426976 455835189 /nfs/dbraw/zinc/83/51/89/455835189.db2.gz SLZGENHJMKJQCS-UHFFFAOYSA-N 0 0 325.412 3.008 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H](O)CC1 ZINC000295033911 455835292 /nfs/dbraw/zinc/83/52/92/455835292.db2.gz XAZSOIQPUQKCSR-QGZVFWFLSA-N 0 0 326.440 3.390 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(O)c(OC)c1 ZINC000295044261 455837027 /nfs/dbraw/zinc/83/70/27/455837027.db2.gz JMHIYXGBPNBUHE-UHFFFAOYSA-N 0 0 329.396 3.088 20 10 EGCDRN COc1c([O-])c(C[N@H+](C)C[C@@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000278496216 455837211 /nfs/dbraw/zinc/83/72/11/455837211.db2.gz MQGHQHSGYDQEJT-SNVBAGLBSA-N 0 0 337.401 3.001 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278478607 455837338 /nfs/dbraw/zinc/83/73/38/455837338.db2.gz ITYZNOKZLRVJDL-NEPJUHHUSA-N 0 0 326.418 3.073 20 10 EGCDRN O=C1CN(Cc2c(O)ccc3ccccc32)CN1CCC(F)(F)F ZINC000295119571 455840641 /nfs/dbraw/zinc/84/06/41/455840641.db2.gz XDTUKADTFJNFLH-UHFFFAOYSA-N 0 0 338.329 3.100 20 10 EGCDRN COC(=O)c1cnc(S[C@@H](C)c2cc(C)c(C(=O)OC)o2)s1 ZINC000295268873 455844189 /nfs/dbraw/zinc/84/41/89/455844189.db2.gz JLARWCXGOVVZNO-QMMMGPOBSA-N 0 0 341.410 3.471 20 10 EGCDRN COC(=O)c1cnc(SCC(=O)C2CCC(F)(F)CC2)s1 ZINC000295400496 455847910 /nfs/dbraw/zinc/84/79/10/455847910.db2.gz WDVUWBJZNAEVBA-UHFFFAOYSA-N 0 0 335.397 3.416 20 10 EGCDRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCOc3ncccc32)s1 ZINC000255088360 455860022 /nfs/dbraw/zinc/86/00/22/455860022.db2.gz QNYZOQZZMPRMJS-SREVYHEPSA-N 0 0 329.425 3.274 20 10 EGCDRN Cc1ccc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)c(C)c1 ZINC000296042450 455867236 /nfs/dbraw/zinc/86/72/36/455867236.db2.gz ANTKSOWFVWDEAP-ZDUSSCGKSA-N 0 0 329.371 3.483 20 10 EGCDRN CC(C)(C)[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000279676490 455870685 /nfs/dbraw/zinc/87/06/85/455870685.db2.gz ZOCFVPCBEKGHBM-SFHVURJKSA-N 0 0 343.471 3.019 20 10 EGCDRN O=C(/C=C\c1cccnc1)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000255594876 455870768 /nfs/dbraw/zinc/87/07/68/455870768.db2.gz XOTHINMSRBUKCI-CNZFZVQHSA-N 0 0 330.391 3.122 20 10 EGCDRN Cc1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c(O)c1O ZINC000279903283 455876292 /nfs/dbraw/zinc/87/62/92/455876292.db2.gz VAECDLGRDHTBPW-UHFFFAOYSA-N 0 0 345.239 3.363 20 10 EGCDRN COCC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000280010686 455880776 /nfs/dbraw/zinc/88/07/76/455880776.db2.gz SKPNOXVGQATMCQ-INIZCTEOSA-N 0 0 346.452 3.037 20 10 EGCDRN CCOc1ccc(O)c(CNc2ccc(C(=O)N(C)C)c(C)c2)c1 ZINC000194910224 455899343 /nfs/dbraw/zinc/89/93/43/455899343.db2.gz ZJLMXOWKKMSHMV-UHFFFAOYSA-N 0 0 328.412 3.413 20 10 EGCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2nc(C)no2)c1O ZINC000285710199 455901006 /nfs/dbraw/zinc/90/10/06/455901006.db2.gz PMMPDQZROCDKJR-HNNXBMFYSA-N 0 0 333.363 3.153 20 10 EGCDRN C[C@H](Nc1ccc(CCO)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000272290506 455903605 /nfs/dbraw/zinc/90/36/05/455903605.db2.gz PUIVYHAGPBDFSN-HNNXBMFYSA-N 0 0 344.430 3.370 20 10 EGCDRN CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(C)cc1O ZINC000280171067 455907862 /nfs/dbraw/zinc/90/78/62/455907862.db2.gz RDPOOWUCFZNQAN-YJBOKZPZSA-N 0 0 326.440 3.446 20 10 EGCDRN c1c[nH]c([C@H](NCc2ccc(N3CCCC3)cc2)c2cccnc2)n1 ZINC000194980790 455909788 /nfs/dbraw/zinc/90/97/88/455909788.db2.gz QNZSNJOBTNUQJL-LJQANCHMSA-N 0 0 333.439 3.284 20 10 EGCDRN CCN(CC)c1ccc(CNc2nnc(-c3nccn3C)o2)cc1F ZINC000195030168 455914327 /nfs/dbraw/zinc/91/43/27/455914327.db2.gz BUYLFHFFICYXAK-UHFFFAOYSA-N 0 0 344.394 3.068 20 10 EGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(=O)NCc1ccccc1 ZINC000187671627 455936940 /nfs/dbraw/zinc/93/69/40/455936940.db2.gz SIROLXRHXLKLPK-RYUDHWBXSA-N 0 0 334.366 3.026 20 10 EGCDRN Cn1cnc(-c2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)n1 ZINC000272436083 455950746 /nfs/dbraw/zinc/95/07/46/455950746.db2.gz KKDSTVSRDFJREL-UHFFFAOYSA-N 0 0 347.422 3.335 20 10 EGCDRN CC(C)(C)c1ccc(CC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000270541499 455978928 /nfs/dbraw/zinc/97/89/28/455978928.db2.gz KLPKXKFIFJFJTJ-UHFFFAOYSA-N 0 0 327.424 3.297 20 10 EGCDRN COCC[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(C)o1 ZINC000272558658 455993352 /nfs/dbraw/zinc/99/33/52/455993352.db2.gz RVCJBJGVMMPBNB-HNNXBMFYSA-N 0 0 332.400 3.213 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)CC2CCC3(CC2)OCCO3)cc1 ZINC000188130396 456004143 /nfs/dbraw/zinc/00/41/43/456004143.db2.gz YLTIKKGTLJGROJ-UHFFFAOYSA-N 0 0 346.471 3.034 20 10 EGCDRN Cc1cc(C(=O)N[C@H](C)c2nnc(C)[nH]2)c(C)n1-c1cccc(C)c1 ZINC000286258300 456010401 /nfs/dbraw/zinc/01/04/01/456010401.db2.gz FKTJWSUYFGBHJP-CYBMUJFWSA-N 0 0 337.427 3.320 20 10 EGCDRN Cc1nnc([C@H](C)NC(=O)c2sccc2-n2c(C)ccc2C)[nH]1 ZINC000286425483 456045301 /nfs/dbraw/zinc/04/53/01/456045301.db2.gz QDYHPUSBAKCCEN-NSHDSACASA-N 0 0 329.429 3.073 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCSC3)ccc21 ZINC000280752003 456045899 /nfs/dbraw/zinc/04/58/99/456045899.db2.gz XKQSQVOZHVPJOZ-OAHLLOKOSA-N 0 0 346.496 3.387 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCCCF ZINC000286497909 456048320 /nfs/dbraw/zinc/04/83/20/456048320.db2.gz DGHOBCHXDSXAEX-UHFFFAOYSA-N 0 0 330.469 3.043 20 10 EGCDRN CN(C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1COC[C@H]1O ZINC000287026694 456059889 /nfs/dbraw/zinc/05/98/89/456059889.db2.gz RFQDVLFCGQSZDQ-XTPAXOCXSA-N 0 0 340.383 3.325 20 10 EGCDRN C[C@H]1C(=O)CC[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000280836686 456062769 /nfs/dbraw/zinc/06/27/69/456062769.db2.gz KHBKAVKSWLYGGU-GDBMZVCRSA-N 0 0 328.456 3.249 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(OC2CCCC2)nc1 ZINC000272761622 456063129 /nfs/dbraw/zinc/06/31/29/456063129.db2.gz GBOCXCBOUOOLLJ-UHFFFAOYSA-N 0 0 326.396 3.381 20 10 EGCDRN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287225098 456064393 /nfs/dbraw/zinc/06/43/93/456064393.db2.gz XUYZJWVOJZNPOZ-FGEZKYSXSA-N 0 0 334.243 3.280 20 10 EGCDRN C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000287381298 456068603 /nfs/dbraw/zinc/06/86/03/456068603.db2.gz IEKQDGGCADEPES-JTQLQIEISA-N 0 0 334.243 3.281 20 10 EGCDRN CC[C@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccc(F)cc1[O-] ZINC000287641016 456074962 /nfs/dbraw/zinc/07/49/62/456074962.db2.gz UOWBXDIUORRTSZ-INIZCTEOSA-N 0 0 332.423 3.273 20 10 EGCDRN COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1ccc(C)cc1O ZINC000287723143 456076082 /nfs/dbraw/zinc/07/60/82/456076082.db2.gz YBHONNQDIZTGRW-CYBMUJFWSA-N 0 0 349.452 3.427 20 10 EGCDRN C[C@@H](CCOCc1ccccc1)NC(=O)NCc1ccccc1O ZINC000287689227 456076319 /nfs/dbraw/zinc/07/63/19/456076319.db2.gz WYYUNZBFRDBRRK-HNNXBMFYSA-N 0 0 328.412 3.187 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCOC[C@H]1C ZINC000287942676 456082186 /nfs/dbraw/zinc/08/21/86/456082186.db2.gz SUMNZEINKQIWDS-SJLPKXTDSA-N 0 0 347.503 3.345 20 10 EGCDRN C[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000288290882 456091612 /nfs/dbraw/zinc/09/16/12/456091612.db2.gz SXNMRFZBGCNVNU-APWZRJJASA-N 0 0 345.487 3.243 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000288962144 456110210 /nfs/dbraw/zinc/11/02/10/456110210.db2.gz XXGRCWKFMTVEQM-AWEZNQCLSA-N 0 0 343.349 3.002 20 10 EGCDRN CCN(CC)c1ccc(CNCc2ncccc2N(C)C)cc1F ZINC000289419169 456124476 /nfs/dbraw/zinc/12/44/76/456124476.db2.gz BEJJLQQGBUPGGJ-UHFFFAOYSA-N 0 0 330.451 3.423 20 10 EGCDRN CCCCOc1ccc(C(=O)NCc2ccc(N)cc2)cc1OC ZINC000297127486 456125936 /nfs/dbraw/zinc/12/59/36/456125936.db2.gz HDECLYBNFAFNNZ-UHFFFAOYSA-N 0 0 328.412 3.386 20 10 EGCDRN O=C([C@@H]1CCCCS1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000272962095 456126183 /nfs/dbraw/zinc/12/61/83/456126183.db2.gz QFMRHODYFXJGBU-WBVHZDCISA-N 0 0 335.469 3.186 20 10 EGCDRN CSCc1cccnc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000289520312 456128513 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/nfs/dbraw/zinc/18/69/05/1299186905.db2.gz SFIGEYVSHDNBFJ-UHFFFAOYSA-N 0 0 344.249 3.366 20 10 EGCDRN CCn1nc(C)c(NCc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000877161709 1299187652 /nfs/dbraw/zinc/18/76/52/1299187652.db2.gz QOWLHAJDWZBTDW-UHFFFAOYSA-N 0 0 328.460 3.093 20 10 EGCDRN CO[C@H](C)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000749486151 1299225546 /nfs/dbraw/zinc/22/55/46/1299225546.db2.gz UTIFIVSLKFDLLK-OAHLLOKOSA-N 0 0 330.428 3.299 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(C)noc2C(F)(F)F)c1 ZINC000750235628 1299361148 /nfs/dbraw/zinc/36/11/48/1299361148.db2.gz JJYZXMWFGJCEBX-ZETCQYMHSA-N 0 0 344.289 3.207 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000877529401 1299373127 /nfs/dbraw/zinc/37/31/27/1299373127.db2.gz BRDJNBWNNBHDFB-UHFFFAOYSA-N 0 0 341.194 3.155 20 10 EGCDRN Cc1ccc(CNc2ccc(C(=O)NC3CCOCC3)cc2)c(O)c1 ZINC000877607652 1299429038 /nfs/dbraw/zinc/42/90/38/1299429038.db2.gz GGCQDYOHDMFVQD-UHFFFAOYSA-N 0 0 340.423 3.222 20 10 EGCDRN CC(=O)c1cc(F)cc(CN2CCN(Cc3ccsc3)CC2)c1O ZINC000750817242 1299458413 /nfs/dbraw/zinc/45/84/13/1299458413.db2.gz LGXCNWGBJDJBGV-UHFFFAOYSA-N 0 0 348.443 3.113 20 10 EGCDRN CCC(CC)SCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000750954772 1299486845 /nfs/dbraw/zinc/48/68/45/1299486845.db2.gz ZNDIBKKGKHXWBY-UHFFFAOYSA-N 0 0 336.501 3.266 20 10 EGCDRN CN1CC[C@@H](Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1=O ZINC000751266200 1299531921 /nfs/dbraw/zinc/53/19/21/1299531921.db2.gz XNHGSWUIGYXFLC-MRXNPFEDSA-N 0 0 328.799 3.214 20 10 EGCDRN Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(O)c1O ZINC000751530562 1299562824 /nfs/dbraw/zinc/56/28/24/1299562824.db2.gz OATSEOJCMCPWTP-UHFFFAOYSA-N 0 0 325.286 3.355 20 10 EGCDRN Cc1ccc(C(=O)NCc2cccnc2OC2CCCC2)c(O)c1O ZINC000751532636 1299563869 /nfs/dbraw/zinc/56/38/69/1299563869.db2.gz BGFLXUSNKAZNOL-UHFFFAOYSA-N 0 0 342.395 3.053 20 10 EGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c(O)c1O ZINC000751533357 1299563883 /nfs/dbraw/zinc/56/38/83/1299563883.db2.gz NGGBBLGSDFCVEV-JTQLQIEISA-N 0 0 337.322 3.499 20 10 EGCDRN Cc1cc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)no1 ZINC000752087496 1299692327 /nfs/dbraw/zinc/69/23/27/1299692327.db2.gz SQTCMJZCVHGNKA-UHFFFAOYSA-N 0 0 326.352 3.053 20 10 EGCDRN COc1ccc(N(C)C[C@H](O)COc2cc(C)ccc2C)c(OC)c1 ZINC000752108542 1299696675 /nfs/dbraw/zinc/69/66/75/1299696675.db2.gz BIYLUMDEWBSNOC-INIZCTEOSA-N 0 0 345.439 3.197 20 10 EGCDRN COc1ccc(N(C)CC(=O)NCCC2CCCCC2)c(OC)c1 ZINC000752124024 1299700394 /nfs/dbraw/zinc/70/03/94/1299700394.db2.gz HNROEOXOAPMAQU-UHFFFAOYSA-N 0 0 334.460 3.227 20 10 EGCDRN CCOC(=O)[C@@H](C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000752753191 1299787689 /nfs/dbraw/zinc/78/76/89/1299787689.db2.gz WKKNNWGLRIXQHK-ZDUSSCGKSA-N 0 0 328.412 3.023 20 10 EGCDRN COC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1cccc(Cl)c1 ZINC000752925642 1299821383 /nfs/dbraw/zinc/82/13/83/1299821383.db2.gz GSEIXTJHMIOENA-CQSZACIVSA-N 0 0 335.787 3.177 20 10 EGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(F)c(C)c2)c1 ZINC000752968335 1299836525 /nfs/dbraw/zinc/83/65/25/1299836525.db2.gz VSWNCYMFRQMISF-GFCCVEGCSA-N 0 0 332.375 3.409 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N[C@]2(C)CCO[C@H]2C)cc1F ZINC000753167196 1299886703 /nfs/dbraw/zinc/88/67/03/1299886703.db2.gz PPPHVBPRWXYTAQ-SCLBCKFNSA-N 0 0 337.439 3.039 20 10 EGCDRN COC(=O)COc1ccc(N(C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000753592337 1299983431 /nfs/dbraw/zinc/98/34/31/1299983431.db2.gz WRZKQGFAEKVOIB-UHFFFAOYSA-N 0 0 339.313 3.292 20 10 EGCDRN CC1([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)OCCO1 ZINC000753593143 1299984420 /nfs/dbraw/zinc/98/44/20/1299984420.db2.gz CASQZVCKEUFQAV-LBPRGKRZSA-N 0 0 329.799 3.160 20 10 EGCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1cc(Cl)ccc1Cl ZINC000753711161 1300008866 /nfs/dbraw/zinc/00/88/66/1300008866.db2.gz HPJFEVMWNYGUIW-WQLSENKSSA-N 0 0 343.235 3.296 20 10 EGCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)c3ccc(C)o3)CC2)cc1F ZINC000753732136 1300012121 /nfs/dbraw/zinc/01/21/21/1300012121.db2.gz QNBSGSKTBWRAKS-AWEZNQCLSA-N 0 0 346.402 3.188 20 10 EGCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)C3CCCC3)CC2)cc1F ZINC000753739602 1300012451 /nfs/dbraw/zinc/01/24/51/1300012451.db2.gz XOEVQFRFNPZZRZ-AWEZNQCLSA-N 0 0 334.435 3.309 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCC[C@@H]1CCOC1=O ZINC000754090285 1300082361 /nfs/dbraw/zinc/08/23/61/1300082361.db2.gz MAHVTSQYUYVXOC-ZDUSSCGKSA-N 0 0 333.409 3.266 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc2c(c1)COC2 ZINC000754359781 1300129472 /nfs/dbraw/zinc/12/94/72/1300129472.db2.gz ZSAVFSKZECLKHB-UHFFFAOYSA-N 0 0 338.451 3.374 20 10 EGCDRN CC(=O)c1ccnc(NCc2ccc(N3CCSCC3)cc2)c1 ZINC000754616577 1300176716 /nfs/dbraw/zinc/17/67/16/1300176716.db2.gz CLBJYRFPYCTFNJ-UHFFFAOYSA-N 0 0 327.453 3.450 20 10 EGCDRN COc1cc(CN2CCC[C@H]2c2ncon2)c(O)c(C(C)(C)C)c1 ZINC000754730503 1300202472 /nfs/dbraw/zinc/20/24/72/1300202472.db2.gz QSTXLOMEAPFMDW-HNNXBMFYSA-N 0 0 331.416 3.418 20 10 EGCDRN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N(Cc1ccco1)Cc1ccccc1O ZINC000878879145 1300239060 /nfs/dbraw/zinc/23/90/60/1300239060.db2.gz RZWVBPCHPCBRPL-VDZJLULYSA-N 0 0 341.407 3.329 20 10 EGCDRN CC(C)Cc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 ZINC000755698494 1300381634 /nfs/dbraw/zinc/38/16/34/1300381634.db2.gz HCPICOZWAHVIJJ-FOWTUZBSSA-N 0 0 330.453 3.188 20 10 EGCDRN COc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000756332632 1300469282 /nfs/dbraw/zinc/46/92/82/1300469282.db2.gz KOYJYLIKRXFAML-GOSISDBHSA-N 0 0 328.412 3.067 20 10 EGCDRN CCN1CCC([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756362750 1300476021 /nfs/dbraw/zinc/47/60/21/1300476021.db2.gz LKHPVCKFXLXEDZ-JTQLQIEISA-N 0 0 345.256 3.429 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c1 ZINC000756372073 1300477725 /nfs/dbraw/zinc/47/77/25/1300477725.db2.gz NZWBFWNNRUOMIS-KDOFPFPSSA-N 0 0 342.439 3.132 20 10 EGCDRN C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756370178 1300478226 /nfs/dbraw/zinc/47/82/26/1300478226.db2.gz IRNVZBQQPFDLOT-AWEZNQCLSA-N 0 0 341.411 3.009 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000756442273 1300492774 /nfs/dbraw/zinc/49/27/74/1300492774.db2.gz NOPPTJCCDLGVMN-SUMWQHHRSA-N 0 0 345.443 3.141 20 10 EGCDRN CCOc1ccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000756454577 1300494886 /nfs/dbraw/zinc/49/48/86/1300494886.db2.gz CNVPHJRIAQWDKI-CYBMUJFWSA-N 0 0 329.396 3.428 20 10 EGCDRN COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])ccc1OCCO ZINC000756457679 1300496300 /nfs/dbraw/zinc/49/63/00/1300496300.db2.gz JWEFZTGPKPFICD-STQMWFEESA-N 0 0 349.402 3.323 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756458968 1300497608 /nfs/dbraw/zinc/49/76/08/1300497608.db2.gz VTLHBIADHDYAEO-CHWSQXEVSA-N 0 0 328.368 3.202 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc(F)cc(F)c1[O-] ZINC000756483827 1300503154 /nfs/dbraw/zinc/50/31/54/1300503154.db2.gz SEJLEQWLZABNCD-LLVKDONJSA-N 0 0 346.377 3.413 20 10 EGCDRN COc1ccccc1OCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] 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1303154807 /nfs/dbraw/zinc/15/48/07/1303154807.db2.gz PGJLLHIGWIJAOF-UHFFFAOYSA-N 0 0 336.351 3.192 20 10 EGCDRN COc1cccc(O)c1CNc1ccc(N2CCOC[C@H]2C)cc1 ZINC000770428962 1303266944 /nfs/dbraw/zinc/26/69/44/1303266944.db2.gz MDMOJIKTYOQWAB-CQSZACIVSA-N 0 0 328.412 3.238 20 10 EGCDRN CCC(CC)n1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)n1 ZINC000771013188 1303347349 /nfs/dbraw/zinc/34/73/49/1303347349.db2.gz RLFWIUJGDSJMRK-GFCCVEGCSA-N 0 0 331.416 3.449 20 10 EGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000771185577 1303372824 /nfs/dbraw/zinc/37/28/24/1303372824.db2.gz KLKKEGZHRCOXET-UHFFFAOYSA-N 0 0 346.362 3.430 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000771403795 1303400328 /nfs/dbraw/zinc/40/03/28/1303400328.db2.gz IJQZCQHYKXPMCE-CABCVRRESA-N 0 0 331.485 3.320 20 10 EGCDRN Cc1ccncc1[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000771419978 1303404029 /nfs/dbraw/zinc/40/40/29/1303404029.db2.gz FNOCWQYDANKHTJ-HNNXBMFYSA-N 0 0 326.444 3.325 20 10 EGCDRN CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000771887526 1303455090 /nfs/dbraw/zinc/45/50/90/1303455090.db2.gz MTMNASGEEZXNCU-TZMCWYRMSA-N 0 0 328.250 3.448 20 10 EGCDRN COC1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000771955403 1303466584 /nfs/dbraw/zinc/46/65/84/1303466584.db2.gz UYXMJNJPODUKGB-INIZCTEOSA-N 0 0 346.471 3.050 20 10 EGCDRN C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1c([O-])cccc1F ZINC000886516634 1303483605 /nfs/dbraw/zinc/48/36/05/1303483605.db2.gz RDBZSFYSRDXOQR-LBPRGKRZSA-N 0 0 328.387 3.274 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000772118944 1303489422 /nfs/dbraw/zinc/48/94/22/1303489422.db2.gz FYAOGNJKCJOBCO-WMZOPIPTSA-N 0 0 333.476 3.064 20 10 EGCDRN CN(C)c1ccc(CNS(=O)(=O)CC2(C)CCCCC2)cc1F ZINC000772560049 1303546308 /nfs/dbraw/zinc/54/63/08/1303546308.db2.gz XRCYULQWJLKODQ-UHFFFAOYSA-N 0 0 342.480 3.282 20 10 EGCDRN Cc1cccc(C)c1OCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000772772982 1303574423 /nfs/dbraw/zinc/57/44/23/1303574423.db2.gz AHRCXFZVTQGWEE-CLFYSBASSA-N 0 0 328.364 3.350 20 10 EGCDRN Cc1noc2nc(C)cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c12 ZINC000773001669 1303604857 /nfs/dbraw/zinc/60/48/57/1303604857.db2.gz WCMPEZCABIFPKH-LBPRGKRZSA-N 0 0 338.411 3.397 20 10 EGCDRN C[C@H](NC(=O)c1cc(F)cc2nccnc21)c1ccc(N(C)C)cc1 ZINC000773008059 1303606110 /nfs/dbraw/zinc/60/61/10/1303606110.db2.gz BJXBNVLEBJTRRU-LBPRGKRZSA-N 0 0 338.386 3.326 20 10 EGCDRN C[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccc(N(C)C)cc1 ZINC000773012217 1303607073 /nfs/dbraw/zinc/60/70/73/1303607073.db2.gz AJQNJYBBWWWWNT-SGTLLEGYSA-N 0 0 328.387 3.073 20 10 EGCDRN CO[C@](C)(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000773018440 1303608887 /nfs/dbraw/zinc/60/88/87/1303608887.db2.gz VVIWZGWAGSLBRD-QRWLVFNGSA-N 0 0 326.440 3.492 20 10 EGCDRN CC(C)c1nnc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773019012 1303609618 /nfs/dbraw/zinc/60/96/18/1303609618.db2.gz NWEFMKJJOATRRV-ZDUSSCGKSA-N 0 0 330.432 3.069 20 10 EGCDRN C[C@@H](NC(=O)COc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000773021074 1303610461 /nfs/dbraw/zinc/61/04/61/1303610461.db2.gz RNNWTOVANRCVIN-GFCCVEGCSA-N 0 0 334.366 3.287 20 10 EGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000773184495 1303638716 /nfs/dbraw/zinc/63/87/16/1303638716.db2.gz IALPMKUQLMOBSQ-ZDUSSCGKSA-N 0 0 345.418 3.461 20 10 EGCDRN C[C@H](NC(=O)NC[C@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1 ZINC000773212294 1303644658 /nfs/dbraw/zinc/64/46/58/1303644658.db2.gz PMZSOBNTQHETPX-CMPLNLGQSA-N 0 0 330.259 3.307 20 10 EGCDRN COc1cc(SC)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000773275497 1303653480 /nfs/dbraw/zinc/65/34/80/1303653480.db2.gz UZKHOKHSHFFTLI-YWEYNIOJSA-N 0 0 331.393 3.480 20 10 EGCDRN C[C@@H](NC(=O)NCC[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773615232 1303714868 /nfs/dbraw/zinc/71/48/68/1303714868.db2.gz CAAGLQNBQUSTOW-BEFAXECRSA-N 0 0 341.455 3.237 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000773698855 1303725260 /nfs/dbraw/zinc/72/52/60/1303725260.db2.gz UWDXOHDOXFTJBZ-UHFFFAOYSA-N 0 0 342.782 3.362 20 10 EGCDRN CCC(=O)c1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1F ZINC000773740285 1303731875 /nfs/dbraw/zinc/73/18/75/1303731875.db2.gz BYUCUHAZQLVHBP-LLVKDONJSA-N 0 0 345.370 3.191 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cccc(Cl)c1 ZINC000773739514 1303732041 /nfs/dbraw/zinc/73/20/41/1303732041.db2.gz CULPUTKXEFPSPC-LBPRGKRZSA-N 0 0 333.815 3.431 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000773762202 1303736320 /nfs/dbraw/zinc/73/63/20/1303736320.db2.gz GNISSVCOJCMQBV-LHSJRXKWSA-N 0 0 339.435 3.340 20 10 EGCDRN CCN(C)c1ccc(CN2CCOC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000773831957 1303742536 /nfs/dbraw/zinc/74/25/36/1303742536.db2.gz LVCFERDIZJDKDV-QGZVFWFLSA-N 0 0 344.459 3.223 20 10 EGCDRN COc1ncc(/C=C/C(=O)N2CC3(CCCC3)c3ccccc32)cn1 ZINC000773831498 1303742657 /nfs/dbraw/zinc/74/26/57/1303742657.db2.gz USPCQHAEDPQSHC-CMDGGOBGSA-N 0 0 335.407 3.357 20 10 EGCDRN Cc1cccc(-n2cc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)nn2)c1 ZINC000773988366 1303761424 /nfs/dbraw/zinc/76/14/24/1303761424.db2.gz KDTDZBSXVZTMBI-OAHLLOKOSA-N 0 0 349.438 3.133 20 10 EGCDRN C[C@@]1(C(=O)NCc2ccccc2O)CC(c2ccccc2Cl)=NO1 ZINC000774066572 1303770431 /nfs/dbraw/zinc/77/04/31/1303770431.db2.gz UPJBZTBUWFGTDY-SFHVURJKSA-N 0 0 344.798 3.245 20 10 EGCDRN C[C@@H]([NH2+]CCN1CCSCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774184824 1303783963 /nfs/dbraw/zinc/78/39/63/1303783963.db2.gz RCMZLDQCJNKZKS-SNVBAGLBSA-N 0 0 335.300 3.398 20 10 EGCDRN O=C(NC1CCCC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000774559485 1303827459 /nfs/dbraw/zinc/82/74/59/1303827459.db2.gz GLVNMPDXYUPGIO-UHFFFAOYSA-N 0 0 344.455 3.112 20 10 EGCDRN COc1c([O-])c(C[NH2+]CCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774942901 1303881726 /nfs/dbraw/zinc/88/17/26/1303881726.db2.gz QWMHUXWLZUFDRH-UHFFFAOYSA-N 0 0 336.775 3.295 20 10 EGCDRN C[C@H](NCc1nnc(C(C)(C)C)o1)c1ccc(N2CCOCC2)cc1 ZINC000775259506 1303931735 /nfs/dbraw/zinc/93/17/35/1303931735.db2.gz VPRHSKDUOZDEOS-AWEZNQCLSA-N 0 0 344.459 3.055 20 10 EGCDRN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1nccn1C ZINC000775378885 1303949723 /nfs/dbraw/zinc/94/97/23/1303949723.db2.gz OFMSTSUEAUUWAQ-ZNMIVQPWSA-N 0 0 346.450 3.024 20 10 EGCDRN C[C@@H](NC(=O)[C@H](C)N1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000775402373 1303956833 /nfs/dbraw/zinc/95/68/33/1303956833.db2.gz DVCXSWOMYHBZON-CVEARBPZSA-N 0 0 337.467 3.381 20 10 EGCDRN C[C@@H](NC(=O)c1cccc(Br)n1)c1ccc(N(C)C)cc1 ZINC000775403882 1303958173 /nfs/dbraw/zinc/95/81/73/1303958173.db2.gz LCQGDNZWVVRHGY-LLVKDONJSA-N 0 0 348.244 3.401 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)c2c(F)ccnc2F)C2CC2)cc1 ZINC000887961736 1303993034 /nfs/dbraw/zinc/99/30/34/1303993034.db2.gz UNWAJQCAYVJIRY-UHFFFAOYSA-N 0 0 331.366 3.231 20 10 EGCDRN C[C@H](NC(=O)Nc1nc2c(s1)COCC2)c1ccc(N(C)C)cc1 ZINC000775626727 1303996993 /nfs/dbraw/zinc/99/69/93/1303996993.db2.gz ZATXVBJRYWSYSS-NSHDSACASA-N 0 0 346.456 3.165 20 10 EGCDRN Cc1nc2cc(C(=O)Nc3cccc(N4CCCC4)c3)ccc2c(=O)[nH]1 ZINC000888288614 1304103570 /nfs/dbraw/zinc/10/35/70/1304103570.db2.gz SAYCCOJZYFTFDC-UHFFFAOYSA-N 0 0 348.406 3.496 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(CC(F)F)C1CCC1 ZINC000888295747 1304106901 /nfs/dbraw/zinc/10/69/01/1304106901.db2.gz UXXCXXKUZWQPDS-UHFFFAOYSA-N 0 0 325.403 3.390 20 10 EGCDRN COC1CCN(C(C)(C)C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000776177172 1304107089 /nfs/dbraw/zinc/10/70/89/1304107089.db2.gz KHZXSOHVWZEWAY-UHFFFAOYSA-N 0 0 326.868 3.025 20 10 EGCDRN O=C(C1CCC1)N(CCC[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000776174607 1304107643 /nfs/dbraw/zinc/10/76/43/1304107643.db2.gz PGXKMMGYZDMRAE-UHFFFAOYSA-N 0 0 336.863 3.316 20 10 EGCDRN C[C@@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccc(N(C)C)cc1 ZINC000776237818 1304118880 /nfs/dbraw/zinc/11/88/80/1304118880.db2.gz FJPOPHSFTSSVCO-PBHICJAKSA-N 0 0 341.459 3.474 20 10 EGCDRN CC(C)c1nnc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000776246302 1304119953 /nfs/dbraw/zinc/11/99/53/1304119953.db2.gz QJBILQRVGKTFFM-CHWSQXEVSA-N 0 0 344.463 3.116 20 10 EGCDRN C[C@H](NC(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccc(N(C)C)cc1 ZINC000776250850 1304120927 /nfs/dbraw/zinc/12/09/27/1304120927.db2.gz XDJCXJNYVLYVDN-MAUKXSAKSA-N 0 0 341.459 3.057 20 10 EGCDRN COc1ccc(O)c(CNc2cc(OC)c(Br)cn2)c1 ZINC000776255410 1304121850 /nfs/dbraw/zinc/12/18/50/1304121850.db2.gz DBYZCJBFVAAOMJ-UHFFFAOYSA-N 0 0 339.189 3.179 20 10 EGCDRN Cc1cc(C)c(NC(=O)COC(=O)c2cccc(O)c2O)c(Cl)c1 ZINC000776281794 1304127775 /nfs/dbraw/zinc/12/77/75/1304127775.db2.gz KJZUINTWJIHUEF-UHFFFAOYSA-N 0 0 349.770 3.164 20 10 EGCDRN CC(C)(C)c1ccc(NC(=O)COC(=O)c2cccc(O)c2O)cc1 ZINC000776281920 1304127830 /nfs/dbraw/zinc/12/78/30/1304127830.db2.gz MFKQDYFKNWPFBF-UHFFFAOYSA-N 0 0 343.379 3.191 20 10 EGCDRN COc1ncc(/C=C\C(=O)N2C[C@@H](C)Sc3ccccc32)cn1 ZINC000776325704 1304134923 /nfs/dbraw/zinc/13/49/23/1304134923.db2.gz PLPZRAAYVBTEHG-QDZRJHCZSA-N 0 0 327.409 3.026 20 10 EGCDRN COc1ncc(/C=C\C(=O)N2C[C@@H](C)CSc3ccccc32)cn1 ZINC000776341730 1304136979 /nfs/dbraw/zinc/13/69/79/1304136979.db2.gz VWYRCFZLSOEHJW-MEJMFZKBSA-N 0 0 341.436 3.273 20 10 EGCDRN Cc1cc(O)c(CNCC(F)(F)CNC(=O)OC(C)(C)C)cc1C ZINC000778187032 1304413299 /nfs/dbraw/zinc/41/32/99/1304413299.db2.gz DBFNAAHXSFCSHZ-UHFFFAOYSA-N 0 0 344.402 3.259 20 10 EGCDRN COc1cc(C2(C(=O)NCc3ccc(O)c(O)c3)CCC2)ccc1C ZINC000778916560 1304507884 /nfs/dbraw/zinc/50/78/84/1304507884.db2.gz LTQMKJNODXDWNZ-UHFFFAOYSA-N 0 0 341.407 3.153 20 10 EGCDRN CN1CCc2cc(C(=O)NCc3c(O)ccc4c3CCCC4)ccc21 ZINC000779002647 1304516268 /nfs/dbraw/zinc/51/62/68/1304516268.db2.gz ZMFABKQAXBZFIR-UHFFFAOYSA-N 0 0 336.435 3.193 20 10 EGCDRN COC(=O)[C@@H](NCc1cc(Cl)ccc1O)c1cc(F)ccc1F ZINC000779178022 1304539004 /nfs/dbraw/zinc/53/90/04/1304539004.db2.gz HLTAXTZZNLCFAT-HNNXBMFYSA-N 0 0 341.741 3.328 20 10 EGCDRN Cc1cc(C(=O)OC[C@@H]2CC(=O)N(C)C2)c(C)n1-c1ccccc1C ZINC000779235238 1304545460 /nfs/dbraw/zinc/54/54/60/1304545460.db2.gz VWCBSSUPIMXCSP-MRXNPFEDSA-N 0 0 340.423 3.038 20 10 EGCDRN Cc1ccc2c(CCNC(=O)/C=C/c3ccc(O)c(O)c3)c[nH]c2c1 ZINC000779507542 1304579164 /nfs/dbraw/zinc/57/91/64/1304579164.db2.gz BLTXFABRNCREOK-QPJJXVBHSA-N 0 0 336.391 3.260 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCS[C@@H](c2ccccc2)C1 ZINC000779519983 1304580312 /nfs/dbraw/zinc/58/03/12/1304580312.db2.gz RSAKKTQYRDLDTN-YPLUBFQTSA-N 0 0 341.432 3.428 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCS[C@H](c2ccccc2)C1 ZINC000779519981 1304580561 /nfs/dbraw/zinc/58/05/61/1304580561.db2.gz RSAKKTQYRDLDTN-CNRGFGOASA-N 0 0 341.432 3.428 20 10 EGCDRN CCc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cnn1CC(C)C ZINC000779543875 1304582374 /nfs/dbraw/zinc/58/23/74/1304582374.db2.gz YRWIHHRKHQZQLJ-VURMDHGXSA-N 0 0 329.400 3.165 20 10 EGCDRN CC[C@]1(CO)CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000779660006 1304591179 /nfs/dbraw/zinc/59/11/79/1304591179.db2.gz FUWXJSRNWPNRCK-KXBFYZLASA-N 0 0 333.476 3.008 20 10 EGCDRN COc1cc(O)cc(NC(=S)NCCCN(C)c2ccccc2)c1 ZINC000779717814 1304595107 /nfs/dbraw/zinc/59/51/07/1304595107.db2.gz GWYFRPMJKMCQTM-UHFFFAOYSA-N 0 0 345.468 3.214 20 10 EGCDRN C[C@H]1C(=O)CC[C@H](C(=O)NCCCSc2nccs2)C1(C)C ZINC000780681953 1304725349 /nfs/dbraw/zinc/72/53/49/1304725349.db2.gz OODUUWYASWBEEQ-NWDGAFQWSA-N 0 0 340.514 3.383 20 10 EGCDRN COc1ccc(N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F ZINC000780779652 1304737702 /nfs/dbraw/zinc/73/77/02/1304737702.db2.gz RCXLLSCGRNPMLN-UHFFFAOYSA-N 0 0 348.330 3.150 20 10 EGCDRN CCN(CC)c1ccc(CN2CCN(C(C)=O)CC2(C)C)cc1F ZINC000780892125 1304748889 /nfs/dbraw/zinc/74/88/89/1304748889.db2.gz DXSRHZDZLYSJGE-UHFFFAOYSA-N 0 0 335.467 3.115 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)c1 ZINC000780934824 1304753725 /nfs/dbraw/zinc/75/37/25/1304753725.db2.gz CFBFHPKGORWBKD-HUBLWGQQSA-N 0 0 333.428 3.219 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)c1 ZINC000780934825 1304753768 /nfs/dbraw/zinc/75/37/68/1304753768.db2.gz CFBFHPKGORWBKD-SLEUVZQESA-N 0 0 333.428 3.219 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)c1 ZINC000780934828 1304753783 /nfs/dbraw/zinc/75/37/83/1304753783.db2.gz CFBFHPKGORWBKD-XUJVJEKNSA-N 0 0 333.428 3.219 20 10 EGCDRN COC[C@H](CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)OC ZINC000781390019 1304823080 /nfs/dbraw/zinc/82/30/80/1304823080.db2.gz SETKVEZJPOJQOF-SFHVURJKSA-N 0 0 344.455 3.102 20 10 EGCDRN Cc1cc2c(cc1NC(=O)NCc1ccc(N(C)C)cc1C)OCO2 ZINC000781470838 1304831485 /nfs/dbraw/zinc/83/14/85/1304831485.db2.gz MOVVMZUJCNJNSP-UHFFFAOYSA-N 0 0 341.411 3.420 20 10 EGCDRN COC(=O)c1ccc(CN(Cc2ccco2)Cc2ccccc2O)[nH]1 ZINC000781899885 1304889111 /nfs/dbraw/zinc/88/91/11/1304889111.db2.gz KSRRWDSLJCLWCH-UHFFFAOYSA-N 0 0 340.379 3.302 20 10 EGCDRN CCCn1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000781955103 1304896226 /nfs/dbraw/zinc/89/62/26/1304896226.db2.gz KIVJORKIKNDTJB-UHFFFAOYSA-N 0 0 326.444 3.213 20 10 EGCDRN CN(C)c1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1F ZINC000782136603 1304919500 /nfs/dbraw/zinc/91/95/00/1304919500.db2.gz TWXZJQLDTFEPEW-UHFFFAOYSA-N 0 0 341.346 3.355 20 10 EGCDRN CO[C@H](C)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000782472570 1304980308 /nfs/dbraw/zinc/98/03/08/1304980308.db2.gz KTYPKRNKISKCMN-CQSZACIVSA-N 0 0 334.460 3.499 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCc2ncsc2C1 ZINC000782557559 1304988424 /nfs/dbraw/zinc/98/84/24/1304988424.db2.gz BZMLFRGTYRXGGT-UHFFFAOYSA-N 0 0 342.468 3.011 20 10 EGCDRN C[C@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC000891248236 1304999699 /nfs/dbraw/zinc/99/96/99/1304999699.db2.gz XAEAXXSGYZKSMF-QAPCUYQASA-N 0 0 343.471 3.258 20 10 EGCDRN COc1ccc(CNc2cccc(N3CCCC3=O)c2)c(O)c1OC ZINC000891428935 1305048628 /nfs/dbraw/zinc/04/86/28/1305048628.db2.gz IAERXYYOJJUNIM-UHFFFAOYSA-N 0 0 342.395 3.148 20 10 EGCDRN O=C(COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(O)c(O)c1 ZINC000783300377 1305079311 /nfs/dbraw/zinc/07/93/11/1305079311.db2.gz CDZVOFNXTRZKIW-KGLIPLIRSA-N 0 0 346.766 3.281 20 10 EGCDRN CC(C)COc1ccccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783588859 1305112496 /nfs/dbraw/zinc/11/24/96/1305112496.db2.gz LBDVHPWOQRCGGF-UHFFFAOYSA-N 0 0 344.363 3.172 20 10 EGCDRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc2cccnc12 ZINC000783705763 1305130238 /nfs/dbraw/zinc/13/02/38/1305130238.db2.gz CQODPXFSHUKPLP-ATVHPVEESA-N 0 0 329.359 3.005 20 10 EGCDRN CCC[C@@]1(C)C(=O)NCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000783741491 1305136684 /nfs/dbraw/zinc/13/66/84/1305136684.db2.gz PSCZPEMLYHNKAX-FQEVSTJZSA-N 0 0 329.488 3.168 20 10 EGCDRN COC(=O)c1cccc2c1CCCN2C(=O)/C=C\c1cnccc1C ZINC000783860875 1305153646 /nfs/dbraw/zinc/15/36/46/1305153646.db2.gz HGZLMQQFUBPYIV-HJWRWDBZSA-N 0 0 336.391 3.169 20 10 EGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC000784240274 1305213482 /nfs/dbraw/zinc/21/34/82/1305213482.db2.gz DVSFSZOLNNHPPV-INIZCTEOSA-N 0 0 345.487 3.101 20 10 EGCDRN CC(C)(C)[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000784239895 1305213758 /nfs/dbraw/zinc/21/37/58/1305213758.db2.gz ADCLDQVNOUZYHG-KRWDZBQOSA-N 0 0 345.487 3.101 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCCS1 ZINC000784333536 1305230873 /nfs/dbraw/zinc/23/08/73/1305230873.db2.gz HSDVPZNRPADCEK-QGZVFWFLSA-N 0 0 331.485 3.148 20 10 EGCDRN O=C(COC(=O)[C@H](c1ccccc1)C1CC1)c1ccc(O)c(O)c1 ZINC000784456513 1305246782 /nfs/dbraw/zinc/24/67/82/1305246782.db2.gz RAMAZCREAJBIES-GOSISDBHSA-N 0 0 326.348 3.018 20 10 EGCDRN CN(Cc1nc(Cc2cccc(F)c2)no1)c1ccc2c(c1)OCO2 ZINC000785765094 1305430474 /nfs/dbraw/zinc/43/04/74/1305430474.db2.gz YZZRRGQKUMRUQR-UHFFFAOYSA-N 0 0 341.342 3.165 20 10 EGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C)c(N3CCNC3=O)c2)c1 ZINC000786986133 1305673279 /nfs/dbraw/zinc/67/32/79/1305673279.db2.gz AXMJGCKBCNWXPU-CYBMUJFWSA-N 0 0 341.411 3.412 20 10 EGCDRN COC(=O)[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)[C@H]1C ZINC000787508126 1305751863 /nfs/dbraw/zinc/75/18/63/1305751863.db2.gz WPSVURBBZIRFNN-UONOGXRCSA-N 0 0 346.452 3.179 20 10 EGCDRN Cc1cc(C(=O)NC(C)(C)C2CCOCC2)c(C)n1-c1ccccn1 ZINC000787805448 1305797758 /nfs/dbraw/zinc/79/77/58/1305797758.db2.gz ZTALFWCIZKNCRU-UHFFFAOYSA-N 0 0 341.455 3.424 20 10 EGCDRN COc1ccc(CN[C@H](c2nc(C3CC3)no2)C(C)C)c(O)c1OC ZINC000893347069 1305843775 /nfs/dbraw/zinc/84/37/75/1305843775.db2.gz YTWCMOOMBGMOBS-AWEZNQCLSA-N 0 0 347.415 3.157 20 10 EGCDRN COC(=O)c1cc(NCc2cc3c(cc2O)OCO3)c(C)cc1C ZINC000788269983 1305911690 /nfs/dbraw/zinc/91/16/90/1305911690.db2.gz VBBNMHNFQMCTOV-UHFFFAOYSA-N 0 0 329.352 3.136 20 10 EGCDRN C[C@H](NC(=O)C(=O)NCCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000788437958 1305941065 /nfs/dbraw/zinc/94/10/65/1305941065.db2.gz BNTUJCFFWSVXNR-HNNXBMFYSA-N 0 0 345.487 3.016 20 10 EGCDRN C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788560149 1305971038 /nfs/dbraw/zinc/97/10/38/1305971038.db2.gz BHQUZJKAIJSGJS-QWRGUYRKSA-N 0 0 330.350 3.073 20 10 EGCDRN CC(C)N1C[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1=O ZINC000788663096 1305992548 /nfs/dbraw/zinc/99/25/48/1305992548.db2.gz FZEZXONQRIIIHB-QWRGUYRKSA-N 0 0 330.350 3.071 20 10 EGCDRN Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2)sc1Cl ZINC000788874633 1306032930 /nfs/dbraw/zinc/03/29/30/1306032930.db2.gz IGWLIPZOZOABKN-UHFFFAOYSA-N 0 0 344.889 3.254 20 10 EGCDRN COCC1(C)CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000788987872 1306058775 /nfs/dbraw/zinc/05/87/75/1306058775.db2.gz GTKYPKLGMMYVPD-UHFFFAOYSA-N 0 0 345.487 3.101 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2cccnc2)cc1 ZINC000789719354 1306206939 /nfs/dbraw/zinc/20/69/39/1306206939.db2.gz OEDQTMXWMFDMQR-UHFFFAOYSA-N 0 0 326.444 3.269 20 10 EGCDRN Oc1c(Br)cccc1CN1C[C@H](O)Cc2ccccc21 ZINC000789761941 1306211826 /nfs/dbraw/zinc/21/18/26/1306211826.db2.gz MYDSADFAHFODJK-CYBMUJFWSA-N 0 0 334.213 3.078 20 10 EGCDRN CC1(C)Cc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2O1 ZINC000789882217 1306226454 /nfs/dbraw/zinc/22/64/54/1306226454.db2.gz HLTTTZKDJJFRTJ-VQHVLOKHSA-N 0 0 325.364 3.463 20 10 EGCDRN COc1ccc(CNCc2c(F)cc(F)c(F)c2F)c(O)c1OC ZINC000894116664 1306227232 /nfs/dbraw/zinc/22/72/32/1306227232.db2.gz JHAACAOKKMSXEC-UHFFFAOYSA-N 0 0 345.292 3.256 20 10 EGCDRN O=C(NCCc1ccccc1C(F)(F)F)c1c(F)ccc(O)c1O ZINC000789969769 1306239582 /nfs/dbraw/zinc/23/95/82/1306239582.db2.gz ZOWXGNIUAVPGOB-UHFFFAOYSA-N 0 0 343.276 3.228 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C2(c3cccnc3)CC2)cc1F ZINC000789975845 1306241200 /nfs/dbraw/zinc/24/12/00/1306241200.db2.gz DQMZVPURRSOUEA-UHFFFAOYSA-N 0 0 341.430 3.415 20 10 EGCDRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000790808071 1308867275 /nfs/dbraw/zinc/86/72/75/1308867275.db2.gz PLUYUIMUPIKIKH-UHFFFAOYSA-N 0 0 343.379 3.234 20 10 EGCDRN COc1cc(C)cc(CNc2ccc(N3CCOCC3)c(C)c2)c1O ZINC000894441853 1308888882 /nfs/dbraw/zinc/88/88/82/1308888882.db2.gz SHVHWVZTIUJSRS-UHFFFAOYSA-N 0 0 342.439 3.466 20 10 EGCDRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000790927610 1308890037 /nfs/dbraw/zinc/89/00/37/1308890037.db2.gz LTXBZARMTOPCDY-INIZCTEOSA-N 0 0 340.423 3.147 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccnc(F)c2F)cc1 ZINC000791481615 1309008454 /nfs/dbraw/zinc/00/84/54/1309008454.db2.gz HHDBZZHOZVCFJP-UHFFFAOYSA-N 0 0 333.382 3.478 20 10 EGCDRN Cc1nnc([C@@H](C)NCc2ccc(OCc3ccccc3)cc2O)[nH]1 ZINC000894772364 1309062535 /nfs/dbraw/zinc/06/25/35/1309062535.db2.gz JQLNEFSQWXGJRN-CYBMUJFWSA-N 0 0 338.411 3.249 20 10 EGCDRN C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782529 1309070139 /nfs/dbraw/zinc/07/01/39/1309070139.db2.gz LKOJLJCVDJACFI-IINYFYTJSA-N 0 0 345.256 3.066 20 10 EGCDRN CCN(C)c1ccc(CN2CCOc3cc(N(C)C)ccc32)cn1 ZINC000792175645 1309137449 /nfs/dbraw/zinc/13/74/49/1309137449.db2.gz XETDUIVDYSHJFI-UHFFFAOYSA-N 0 0 326.444 3.003 20 10 EGCDRN CCCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H](CC)C(=O)OCC ZINC000792376290 1309166219 /nfs/dbraw/zinc/16/62/19/1309166219.db2.gz LVQUGDXETFCGFB-INIZCTEOSA-N 0 0 339.407 3.288 20 10 EGCDRN CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)c1ccccc1OC ZINC000792829841 1309239520 /nfs/dbraw/zinc/23/95/20/1309239520.db2.gz BVWXDEDMKLQXLN-MRXNPFEDSA-N 0 0 344.411 3.360 20 10 EGCDRN COc1ccc(CNC(=O)NCCc2ccc(C)cc2C)c(O)c1 ZINC000792854717 1309246196 /nfs/dbraw/zinc/24/61/96/1309246196.db2.gz SUZWXVBUKYQVOT-UHFFFAOYSA-N 0 0 328.412 3.060 20 10 EGCDRN COc1ccc(CNC(=O)NCCCc2ccc(Cl)cc2)c(O)c1 ZINC000792884752 1309251785 /nfs/dbraw/zinc/25/17/85/1309251785.db2.gz ZVXFTOLVUBVQNU-UHFFFAOYSA-N 0 0 348.830 3.486 20 10 EGCDRN COc1ccc(CNC(=O)N[C@@H]2CSc3ccccc32)c(O)c1 ZINC000793031175 1309283766 /nfs/dbraw/zinc/28/37/66/1309283766.db2.gz FBGWRDDZUDMLII-CQSZACIVSA-N 0 0 330.409 3.047 20 10 EGCDRN COc1ccc(CNC(=O)N[C@H](c2ncc(C)s2)C2CC2)c(O)c1 ZINC000793059974 1309289845 /nfs/dbraw/zinc/28/98/45/1309289845.db2.gz RTWKYGMGNRUNAH-HNNXBMFYSA-N 0 0 347.440 3.116 20 10 EGCDRN CCS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(OC)cc2O)C1 ZINC000793076036 1309291703 /nfs/dbraw/zinc/29/17/03/1309291703.db2.gz DMSCLHJRYOOTQN-UKRRQHHQSA-N 0 0 338.473 3.264 20 10 EGCDRN O=C(NCCCSc1nccs1)N1CC(C2CCCC2)C1 ZINC000793101974 1309295586 /nfs/dbraw/zinc/29/55/86/1309295586.db2.gz HYKRLKHUEWTPPB-UHFFFAOYSA-N 0 0 325.503 3.457 20 10 EGCDRN COC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC(C)CC1 ZINC000793212065 1309317128 /nfs/dbraw/zinc/31/71/28/1309317128.db2.gz DYMCZPXZUXZBLF-UHFFFAOYSA-N 0 0 347.503 3.489 20 10 EGCDRN COCCOCc1ccc(NCc2cc(C)cc(OC)c2O)cc1 ZINC000895405588 1309320352 /nfs/dbraw/zinc/32/03/52/1309320352.db2.gz LZGMIVIFSVYPDK-UHFFFAOYSA-N 0 0 331.412 3.484 20 10 EGCDRN CC[C@H]1NC(=O)N(c2cccc(NCc3cccc(C)c3O)c2)C1=O ZINC000793359868 1309353745 /nfs/dbraw/zinc/35/37/45/1309353745.db2.gz XZIUBCGVKDGKMH-MRXNPFEDSA-N 0 0 339.395 3.148 20 10 EGCDRN Cc1nc2ccc(C(=O)NCCCSc3nccs3)cc2n1C ZINC000793497754 1309385193 /nfs/dbraw/zinc/38/51/93/1309385193.db2.gz WHWIHOYYUUZKRT-UHFFFAOYSA-N 0 0 346.481 3.250 20 10 EGCDRN CC[C@H](C)CC[C@H](O)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000793580216 1309408870 /nfs/dbraw/zinc/40/88/70/1309408870.db2.gz GTXOWRROSUITFF-HOCLYGCPSA-N 0 0 334.460 3.055 20 10 EGCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000793608107 1309415036 /nfs/dbraw/zinc/41/50/36/1309415036.db2.gz HTASTENOCPIXIM-KBPBESRZSA-N 0 0 326.234 3.298 20 10 EGCDRN CC1(C)CN(Cc2c(O)ccc3ccncc32)C[C@@H](C(F)(F)F)O1 ZINC000793678101 1309426517 /nfs/dbraw/zinc/42/65/17/1309426517.db2.gz OXIJYAIIZDDQOE-HNNXBMFYSA-N 0 0 340.345 3.482 20 10 EGCDRN COc1cccc([C@@H](C)CC(=O)NCc2ccc(OC)cc2O)c1 ZINC000794374419 1309512685 /nfs/dbraw/zinc/51/26/85/1309512685.db2.gz SIXFIGPOIZQIPI-ZDUSSCGKSA-N 0 0 329.396 3.219 20 10 EGCDRN COc1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)c(O)c1 ZINC000794377229 1309513546 /nfs/dbraw/zinc/51/35/46/1309513546.db2.gz PIQJUHYPCBSNGC-NSHDSACASA-N 0 0 335.787 3.138 20 10 EGCDRN COc1ccc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(O)c1 ZINC000794377246 1309514111 /nfs/dbraw/zinc/51/41/11/1309514111.db2.gz PXOVNORVFOSNFH-UHFFFAOYSA-N 0 0 344.367 3.362 20 10 EGCDRN CCC(CC)n1nc(C)cc1C(=O)NCc1ccc(OC)cc1O ZINC000794388667 1309518018 /nfs/dbraw/zinc/51/80/18/1309518018.db2.gz ZJLXZPBYOUCCQO-UHFFFAOYSA-N 0 0 331.416 3.197 20 10 EGCDRN COc1ccc(CNC(=S)NC23CC4CC(CC(C4)C2)C3)c(O)c1 ZINC000795031108 1309652807 /nfs/dbraw/zinc/65/28/07/1309652807.db2.gz HSPLUOQVBIRHPO-UHFFFAOYSA-N 0 0 346.496 3.334 20 10 EGCDRN COc1ccc(CNC(=S)NCCSc2ccccc2)c(O)c1 ZINC000795030650 1309652876 /nfs/dbraw/zinc/65/28/76/1309652876.db2.gz CYVBGJDCSWHQDC-UHFFFAOYSA-N 0 0 348.493 3.157 20 10 EGCDRN Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CCC[C@H](O)C3)sc2n1 ZINC000795296051 1309718238 /nfs/dbraw/zinc/71/82/38/1309718238.db2.gz FHCYAJKXJLKACW-RYUDHWBXSA-N 0 0 334.441 3.203 20 10 EGCDRN COc1ccc(N(CCC(C)C)CC2(CS(C)(=O)=O)CC2)cc1 ZINC000796503667 1310016914 /nfs/dbraw/zinc/01/69/14/1310016914.db2.gz HVXQUHORCYSCNL-UHFFFAOYSA-N 0 0 339.501 3.373 20 10 EGCDRN C[C@@H](O)c1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F ZINC000796517944 1310018671 /nfs/dbraw/zinc/01/86/71/1310018671.db2.gz BOUNHFUOMLNRLB-CQSZACIVSA-N 0 0 330.403 3.328 20 10 EGCDRN CC[C@H]([NH2+]C[C@@H](O)c1cc(OC)cc(OC)c1)c1ccc(F)cc1[O-] ZINC000796770955 1310083797 /nfs/dbraw/zinc/08/37/97/1310083797.db2.gz GIYOWNIWBFZBOH-PKOBYXMFSA-N 0 0 349.402 3.323 20 10 EGCDRN COc1c(O)c(CNc2ccc3c(c2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC000897113619 1310186081 /nfs/dbraw/zinc/18/60/81/1310186081.db2.gz DKESYNGPHOOLPE-SNVBAGLBSA-N 0 0 330.340 3.245 20 10 EGCDRN COc1ccc(CNC(=O)Nc2ccc3ccn(C)c3c2)c(O)c1 ZINC000797629064 1310224298 /nfs/dbraw/zinc/22/42/98/1310224298.db2.gz JHRDLUOJFOZFCW-UHFFFAOYSA-N 0 0 325.368 3.214 20 10 EGCDRN C[C@H](NC(=O)c1cc2ccccc2c(=O)o1)c1ccc(N(C)C)cc1 ZINC000797753868 1310242202 /nfs/dbraw/zinc/24/22/02/1310242202.db2.gz WEWWTPRCCMOTNA-ZDUSSCGKSA-N 0 0 336.391 3.350 20 10 EGCDRN Cc1ccc(-n2cnnc2)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000797992990 1310282092 /nfs/dbraw/zinc/28/20/92/1310282092.db2.gz KXRVFJHMAHVKCJ-HNNXBMFYSA-N 0 0 349.438 3.133 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](CO)CC1CCCC1 ZINC000798417557 1310358904 /nfs/dbraw/zinc/35/89/04/1310358904.db2.gz TWPCCFTWTNLCMX-KRWDZBQOSA-N 0 0 347.503 3.049 20 10 EGCDRN CCOC(=O)Oc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000799862797 1310630021 /nfs/dbraw/zinc/63/00/21/1310630021.db2.gz FTMBPTUOUMPTLR-UHFFFAOYSA-N 0 0 342.395 3.218 20 10 EGCDRN CC(=O)CCC(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000800091954 1310669982 /nfs/dbraw/zinc/66/99/82/1310669982.db2.gz YDLQDDSKHAPYQY-UHFFFAOYSA-N 0 0 341.407 3.498 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)Cc1cccnc1 ZINC000898335237 1310679227 /nfs/dbraw/zinc/67/92/27/1310679227.db2.gz DYERLVRBCQNSBN-OAHLLOKOSA-N 0 0 327.428 3.340 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@](C)(O)CCc1ccccc1 ZINC000801158648 1310873901 /nfs/dbraw/zinc/87/39/01/1310873901.db2.gz VZDUVMLXDIZXGG-OAQYLSRUSA-N 0 0 340.467 3.061 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@H]2c2ncccn2)c(C)n1-c1ccccn1 ZINC000898964225 1310888954 /nfs/dbraw/zinc/88/89/54/1310888954.db2.gz YOGOGTJDUQXQNL-KRWDZBQOSA-N 0 0 347.422 3.256 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](CC2CC2)NC(=O)OC(C)(C)C)c1 ZINC000899133642 1310947095 /nfs/dbraw/zinc/94/70/95/1310947095.db2.gz OGGINURFLXASEW-OAHLLOKOSA-N 0 0 348.443 3.010 20 10 EGCDRN CCN1CCN(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000916970401 1319730630 /nfs/dbraw/zinc/73/06/30/1319730630.db2.gz 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CC[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cccc(Cl)c1[O-] ZINC000850554657 1322265151 /nfs/dbraw/zinc/26/51/51/1322265151.db2.gz FEUUVTCSHGPBJV-YOEHRIQHSA-N 0 0 338.879 3.340 20 10 EGCDRN C[C@@H](NC(=O)NCc1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 ZINC000922053122 1322445277 /nfs/dbraw/zinc/44/52/77/1322445277.db2.gz CIIZCMKVRALOBX-GFCCVEGCSA-N 0 0 344.484 3.258 20 10 EGCDRN CN(C)c1ccc(CNc2nncn2C2CC2)c(C(F)(F)F)c1 ZINC000922658276 1322581840 /nfs/dbraw/zinc/58/18/40/1322581840.db2.gz BIRZQSWLOBNZCG-UHFFFAOYSA-N 0 0 325.338 3.310 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCn2cccc2C1 ZINC000922913103 1322647729 /nfs/dbraw/zinc/64/77/29/1322647729.db2.gz QYQYFLRMTSDGIV-MRXNPFEDSA-N 0 0 340.471 3.019 20 10 EGCDRN CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)[C@H](C(=O)[O-])C1 ZINC000851708364 1323071720 /nfs/dbraw/zinc/07/17/20/1323071720.db2.gz UZVMTDGMZOBFNV-MJGOQNOKSA-N 0 0 346.471 3.049 20 10 EGCDRN CN(CC[C@@H]1Sc2ccccc2NC1=O)c1ccc2c(c1)OCO2 ZINC000851867750 1323106472 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COc1ccc(N2CCC([NH2+]C[C@@H](CC(C)C)C(=O)[O-])CC2)cc1 ZINC000818630510 955421644 /nfs/dbraw/zinc/42/16/44/955421644.db2.gz PVYVIFFPYLNYNH-OAHLLOKOSA-N 0 0 334.460 3.001 20 10 EGCDRN C[C@H]([NH2+]CCOc1ccccc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001589128686 956183529 /nfs/dbraw/zinc/18/35/29/956183529.db2.gz MEMBJJYGWNAPDE-AWEZNQCLSA-N 0 0 328.412 3.180 20 10 EGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001591974484 976589858 /nfs/dbraw/zinc/58/98/58/976589858.db2.gz ZFFHWQKNNVDRNP-FQEVSTJZSA-N 0 0 347.455 3.097 20 10 EGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000840998698 979299991 /nfs/dbraw/zinc/29/99/91/979299991.db2.gz OJXDDDAYSITLAP-OAHLLOKOSA-N 0 0 330.350 3.068 20 10 EGCDRN O=C([O-])CC1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000859806043 979636601 /nfs/dbraw/zinc/63/66/01/979636601.db2.gz KQLCFBZWXZZRNP-UHFFFAOYSA-N 0 0 336.435 3.346 20 10 EGCDRN CCC[C@@](C)([NH2+]Cc1cc(Br)cc(C)c1O)C(=O)[O-] ZINC001595560180 981446819 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EGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)sc1C ZINC000048262069 132427003 /nfs/dbraw/zinc/42/70/03/132427003.db2.gz DCWMDIHQZWWOEK-UHFFFAOYSA-N 0 0 344.480 3.474 20 10 EGCDRN COc1cccc(CNC(=O)Nc2ccc3c(c2)OCC3(C)C)c1O ZINC000529152637 313261153 /nfs/dbraw/zinc/26/11/53/313261153.db2.gz GTGWNRRFDJNGNR-UHFFFAOYSA-N 0 0 342.395 3.393 20 10 EGCDRN CCOC(=O)[C@H](NCc1cccc(OC)c1O)c1cccc(C)c1C ZINC000189663975 455229341 /nfs/dbraw/zinc/22/93/41/455229341.db2.gz PBXKKSOXNZOWMA-GOSISDBHSA-N 0 0 343.423 3.412 20 10 EGCDRN C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000368325089 458025275 /nfs/dbraw/zinc/02/52/75/458025275.db2.gz XDNVXMLZZHJVME-SRVKXCTJSA-N 0 0 345.270 3.213 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2ccccc2n1 ZINC000173184527 455244215 /nfs/dbraw/zinc/24/42/15/455244215.db2.gz POWOVMVQSIEDOE-UHFFFAOYSA-N 0 0 333.391 3.340 20 10 EGCDRN CCSc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccn1 ZINC000173189931 455245060 /nfs/dbraw/zinc/24/50/60/455245060.db2.gz 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/nfs/dbraw/zinc/64/86/33/454648633.db2.gz DCOIOCONOFRBMY-UHFFFAOYSA-N 0 0 349.814 3.312 20 10 EGCDRN COc1ccc(N2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000052511559 454680575 /nfs/dbraw/zinc/68/05/75/454680575.db2.gz ZXADIZIBGLJPHW-UHFFFAOYSA-N 0 0 327.384 3.320 20 10 EGCDRN COCCOC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093339530 454704564 /nfs/dbraw/zinc/70/45/64/454704564.db2.gz ZVFZCMZZDCCBSH-UHFFFAOYSA-N 0 0 334.243 3.326 20 10 EGCDRN CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(-c2ccccc2)ccc1O ZINC000093416958 454714802 /nfs/dbraw/zinc/71/48/02/454714802.db2.gz QDPHIOVTAHIXPW-OAHLLOKOSA-N 0 0 347.480 3.314 20 10 EGCDRN Oc1ccc(Br)cc1CN1CCO[C@H](c2ccco2)C1 ZINC000093841115 454738979 /nfs/dbraw/zinc/73/89/79/454738979.db2.gz CHOOWUWCLQBDKO-HNNXBMFYSA-N 0 0 338.201 3.321 20 10 EGCDRN COc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(C)n1 ZINC000124643339 454756098 /nfs/dbraw/zinc/75/60/98/454756098.db2.gz FDQSOQMUARXYTC-UHFFFAOYSA-N 0 0 338.411 3.097 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000163135091 454825155 /nfs/dbraw/zinc/82/51/55/454825155.db2.gz OSJQKYRIKGSREE-UHFFFAOYSA-N 0 0 349.438 3.200 20 10 EGCDRN C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191212202 455464621 /nfs/dbraw/zinc/46/46/21/455464621.db2.gz WPMYEHAUIBFZIO-NSHDSACASA-N 0 0 326.387 3.160 20 10 EGCDRN Cc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)s1 ZINC000125525352 454829065 /nfs/dbraw/zinc/82/90/65/454829065.db2.gz VSJRSWOUZKMWDJ-UHFFFAOYSA-N 0 0 327.453 3.432 20 10 EGCDRN COc1ccc(N(C)CCCS(=O)(=O)c2ccccc2)c(OC)c1 ZINC000179002151 454997749 /nfs/dbraw/zinc/99/77/49/454997749.db2.gz ONLBYFQAFGRSCH-UHFFFAOYSA-N 0 0 349.452 3.004 20 10 EGCDRN CC(=O)c1cc(F)cc(CN(C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000175812441 455500133 /nfs/dbraw/zinc/50/01/33/455500133.db2.gz MDWLHHLTKXRCGN-XMMPIXPASA-N 0 0 349.427 3.103 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N(C)C2CCC(CO)CC2)cc1 ZINC000179180532 455017226 /nfs/dbraw/zinc/01/72/26/455017226.db2.gz DHTQRMZGZYWOKF-UHFFFAOYSA-N 0 0 347.503 3.225 20 10 EGCDRN CSCC[C@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155707847 455034079 /nfs/dbraw/zinc/03/40/79/455034079.db2.gz JIJUOPPHDKFDHN-HNNXBMFYSA-N 0 0 333.501 3.346 20 10 EGCDRN Cc1ccc(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)c(O)c1O ZINC000179520257 455055442 /nfs/dbraw/zinc/05/54/42/455055442.db2.gz NAPVCZOPWSHBKN-RHSMWYFYSA-N 0 0 341.407 3.317 20 10 EGCDRN Cc1cccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)c1O ZINC000179616367 455061313 /nfs/dbraw/zinc/06/13/13/455061313.db2.gz LEZJSYFDDLSQHR-UHFFFAOYSA-N 0 0 326.440 3.169 20 10 EGCDRN O=C(CSC[C@H]1CCCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000171375142 455065775 /nfs/dbraw/zinc/06/57/75/455065775.db2.gz NWVWRXCSJKBILZ-GOSISDBHSA-N 0 0 348.512 3.205 20 10 EGCDRN c1nc(SCC2OCCO2)n(C[C@H]2CCCO2)c1-c1ccccc1 ZINC000179748467 455073419 /nfs/dbraw/zinc/07/34/19/455073419.db2.gz FKGGLOVMGSDBGZ-OAHLLOKOSA-N 0 0 346.452 3.194 20 10 EGCDRN CCN(CC)c1ccc(CNc2ccc(CNC(N)=O)cc2)cc1F ZINC000180048510 455122866 /nfs/dbraw/zinc/12/28/66/455122866.db2.gz JXPDDVNVOBBOLQ-UHFFFAOYSA-N 0 0 344.434 3.452 20 10 EGCDRN CC[C@H](Sc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000156604098 455136575 /nfs/dbraw/zinc/13/65/75/455136575.db2.gz MLJOOCHFIGVOSM-KRWDZBQOSA-N 0 0 331.437 3.327 20 10 EGCDRN COc1cccc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180615037 455208720 /nfs/dbraw/zinc/20/87/20/455208720.db2.gz SSQFNYIFYZMKQC-SYJIQKIWSA-N 0 0 339.391 3.483 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000183437840 455292578 /nfs/dbraw/zinc/29/25/78/455292578.db2.gz JRWLKSUSBYNYGZ-VXGBXAGGSA-N 0 0 349.814 3.266 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCSc1ccc(F)cc1 ZINC000183444712 455293273 /nfs/dbraw/zinc/29/32/73/455293273.db2.gz BOCXHHTZQJUDGO-LBPRGKRZSA-N 0 0 349.427 3.467 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cc(F)ccc1F ZINC000183458894 455294920 /nfs/dbraw/zinc/29/49/20/455294920.db2.gz RHNITRMSXGDJNA-LLVKDONJSA-N 0 0 335.350 3.056 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1SCCc2sccc21 ZINC000183470339 455297150 /nfs/dbraw/zinc/29/71/50/455297150.db2.gz VZNUQZJAWFZESE-QLJPJBMISA-N 0 0 349.477 3.237 20 10 EGCDRN Cc1csc([C@H](C)CNC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000183938238 455341973 /nfs/dbraw/zinc/34/19/73/455341973.db2.gz RFLNJAAUARKJOX-CYBMUJFWSA-N 0 0 346.500 3.463 20 10 EGCDRN Cc1ccc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c(O)c1O ZINC000184030378 455348566 /nfs/dbraw/zinc/34/85/66/455348566.db2.gz TWVYCCHWIRRISK-LLVKDONJSA-N 0 0 333.334 3.314 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)Nc3cc(C)ccn3)CC2)cc1 ZINC000184126382 455355072 /nfs/dbraw/zinc/35/50/72/455355072.db2.gz UZIXSWYZUYDQNJ-UHFFFAOYSA-N 0 0 340.427 3.143 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N(C)C)n1 ZINC000181934224 455401263 /nfs/dbraw/zinc/40/12/63/455401263.db2.gz YAXZGPDOOPGXTA-UHFFFAOYSA-N 0 0 328.416 3.297 20 10 EGCDRN Cc1nsc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000266422669 455428585 /nfs/dbraw/zinc/42/85/85/455428585.db2.gz SGJRRXFLWOBGPW-PHIMTYICSA-N 0 0 336.436 3.211 20 10 EGCDRN CC(C)c1nn(C)c2sc(C(=O)NCc3ccccc3O)cc12 ZINC000266478946 455429937 /nfs/dbraw/zinc/42/99/37/455429937.db2.gz CBUZNJDWXYHWCD-UHFFFAOYSA-N 0 0 329.425 3.394 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160236984 455440898 /nfs/dbraw/zinc/44/08/98/455440898.db2.gz RXQYFDXGIQMFPE-KRWDZBQOSA-N 0 0 342.395 3.224 20 10 EGCDRN COc1cc(O)c(CN2CCO[C@@H](c3ccccc3C)C2)cc1OC ZINC000160290787 455444669 /nfs/dbraw/zinc/44/46/69/455444669.db2.gz RKLOGBVHEQFXDO-HXUWFJFHSA-N 0 0 343.423 3.291 20 10 EGCDRN COc1cccc(CNC(=O)NCCCCCCSC)c1O ZINC000182200427 455459544 /nfs/dbraw/zinc/45/95/44/455459544.db2.gz UISITPJTCJGODN-UHFFFAOYSA-N 0 0 326.462 3.123 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160526266 455469470 /nfs/dbraw/zinc/46/94/70/455469470.db2.gz QKJYVBJFLAWXQB-IEBWSBKVSA-N 0 0 345.487 3.242 20 10 EGCDRN C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1[O-] ZINC000184966826 455479090 /nfs/dbraw/zinc/47/90/90/455479090.db2.gz KRMJEZMCDFFKPP-LBPRGKRZSA-N 0 0 332.375 3.080 20 10 EGCDRN COC[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000175735124 455489349 /nfs/dbraw/zinc/48/93/49/455489349.db2.gz JAKZLVUSRGYZLR-MRXNPFEDSA-N 0 0 344.411 3.051 20 10 EGCDRN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000185072063 455496261 /nfs/dbraw/zinc/49/62/61/455496261.db2.gz FUVFODWJCZZART-ZDUSSCGKSA-N 0 0 348.393 3.358 20 10 EGCDRN CC(C)Oc1ccc(N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000191579431 455499606 /nfs/dbraw/zinc/49/96/06/455499606.db2.gz ZPGMAFHVYCTCOQ-CQSZACIVSA-N 0 0 330.350 3.073 20 10 EGCDRN OC1CCN(c2ccc(CNc3ccncc3Cl)cc2F)CC1 ZINC000267278582 455529957 /nfs/dbraw/zinc/52/99/57/455529957.db2.gz OFZMTTRCKGRWKR-UHFFFAOYSA-N 0 0 335.810 3.447 20 10 EGCDRN C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185450162 455559009 /nfs/dbraw/zinc/55/90/09/455559009.db2.gz QQNRYGYDCPHWMS-LLVKDONJSA-N 0 0 347.286 3.460 20 10 EGCDRN C[C@H](c1nccs1)N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000185613604 455584777 /nfs/dbraw/zinc/58/47/77/455584777.db2.gz JLAKGCONWGRZOS-OAHLLOKOSA-N 0 0 330.501 3.088 20 10 EGCDRN CCC(C)(C)CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000192335109 455592129 /nfs/dbraw/zinc/59/21/29/455592129.db2.gz QKZFTSADGHXTMF-UHFFFAOYSA-N 0 0 347.503 3.131 20 10 EGCDRN Oc1cccc(Cl)c1CN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000271334194 455602076 /nfs/dbraw/zinc/60/20/76/455602076.db2.gz NQDZJZGNJZLPMX-DNVCBOLYSA-N 0 0 347.842 3.370 20 10 EGCDRN C[C@@H]1CC[C@@H](CCC(=O)NCc2cccc(Br)c2O)O1 ZINC000277576188 455602910 /nfs/dbraw/zinc/60/29/10/455602910.db2.gz RCFRPYHHSUBYHI-PWSUYJOCSA-N 0 0 342.233 3.119 20 10 EGCDRN COc1cccc(CNC(=O)NC[C@H]2CCCC(F)(F)C2)c1O ZINC000283976027 455617530 /nfs/dbraw/zinc/61/75/30/455617530.db2.gz XTZFMTUAJBYIKQ-NSHDSACASA-N 0 0 328.359 3.026 20 10 EGCDRN O=C(C[C@H]1CCCN1C(=O)c1cccc(O)c1O)c1cccs1 ZINC000185809247 455626853 /nfs/dbraw/zinc/62/68/53/455626853.db2.gz SFLOMMMOXWCRSB-LLVKDONJSA-N 0 0 331.393 3.037 20 10 EGCDRN C[C@H]1CCC[C@H]1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000185887139 455643247 /nfs/dbraw/zinc/64/32/47/455643247.db2.gz UOKIKLHEKJOIDZ-WMZOPIPTSA-N 0 0 330.472 3.308 20 10 EGCDRN C[C@H]([NH2+]CCCN1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192591571 455648586 /nfs/dbraw/zinc/64/85/86/455648586.db2.gz SDTLSQXBZQXYMT-NSHDSACASA-N 0 0 333.259 3.072 20 10 EGCDRN C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192674398 455666851 /nfs/dbraw/zinc/66/68/51/455666851.db2.gz ITVZINLXZIXKCX-GHMZBOCLSA-N 0 0 333.259 3.070 20 10 EGCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)o1 ZINC000248038978 455672921 /nfs/dbraw/zinc/67/29/21/455672921.db2.gz SANXKUIRGRTGKF-MRXNPFEDSA-N 0 0 329.396 3.423 20 10 EGCDRN C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186149997 455704065 /nfs/dbraw/zinc/70/40/65/455704065.db2.gz SMGYNGQBTDWSIN-JTQLQIEISA-N 0 0 334.243 3.139 20 10 EGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186435637 455768040 /nfs/dbraw/zinc/76/80/40/455768040.db2.gz VYQYELWEYXTZQU-DHSIGJKJSA-N 0 0 335.444 3.130 20 10 EGCDRN Cc1cc(CN2CCN(C(=O)c3ccsc3)CC2)ccc1N(C)C ZINC000293477886 455787623 /nfs/dbraw/zinc/78/76/23/455787623.db2.gz MFZLFRKDUKZVME-UHFFFAOYSA-N 0 0 343.496 3.081 20 10 EGCDRN COCC1(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)CCC1 ZINC000293835942 455798135 /nfs/dbraw/zinc/79/81/35/455798135.db2.gz HLZUAQUTZHFZMD-UHFFFAOYSA-N 0 0 341.455 3.426 20 10 EGCDRN COCCC1(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000269166783 455802330 /nfs/dbraw/zinc/80/23/30/455802330.db2.gz VXJVALOFAATYLZ-UHFFFAOYSA-N 0 0 347.503 3.489 20 10 EGCDRN CCNC(=O)Nc1ccc(C)c(NCc2cc3c(cc2O)OCO3)c1 ZINC000278309325 455813974 /nfs/dbraw/zinc/81/39/74/455813974.db2.gz AQPTZJOBDBDRLC-UHFFFAOYSA-N 0 0 343.383 3.183 20 10 EGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000294599586 455821052 /nfs/dbraw/zinc/82/10/52/455821052.db2.gz REAVFIFBVLADGH-SOLBZPMBSA-N 0 0 330.472 3.212 20 10 EGCDRN CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000272074205 455839375 /nfs/dbraw/zinc/83/93/75/455839375.db2.gz PUZUUKMSFGXADD-DIFFPNOSSA-N 0 0 334.347 3.305 20 10 EGCDRN COc1ccc(CCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278568120 455839976 /nfs/dbraw/zinc/83/99/76/455839976.db2.gz CESPRYSWYYAARW-UHFFFAOYSA-N 0 0 346.383 3.040 20 10 EGCDRN CCOc1ccc(OC)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278555809 455840653 /nfs/dbraw/zinc/84/06/53/455840653.db2.gz APCQBWCSHKYIMM-UHFFFAOYSA-N 0 0 348.355 3.328 20 10 EGCDRN COC(=O)c1cnc(S[C@@H](C(=O)NC2CCCC2)C(C)C)s1 ZINC000295289409 455845059 /nfs/dbraw/zinc/84/50/59/455845059.db2.gz LIBJDCFBRYQUPD-GFCCVEGCSA-N 0 0 342.486 3.105 20 10 EGCDRN COC(=O)c1cnc(SCC(=O)Nc2cc(C)cc(C)c2)s1 ZINC000295353363 455847318 /nfs/dbraw/zinc/84/73/18/455847318.db2.gz QZLHKQGPKKIMLG-UHFFFAOYSA-N 0 0 336.438 3.277 20 10 EGCDRN COc1ccc(CN[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1C ZINC000278796002 455847982 /nfs/dbraw/zinc/84/79/82/455847982.db2.gz QZGGQQBIEKXTTD-CQSZACIVSA-N 0 0 337.427 3.343 20 10 EGCDRN COCc1cccc(CC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000186899735 455848216 /nfs/dbraw/zinc/84/82/16/455848216.db2.gz HSHLCODDCXZNFN-UHFFFAOYSA-N 0 0 339.435 3.276 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)c2ccnn2CC(F)F)C2CC2)cc1 ZINC000279095597 455858107 /nfs/dbraw/zinc/85/81/07/455858107.db2.gz WSKVFDARWRJKJY-UHFFFAOYSA-N 0 0 348.397 3.019 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1[O-] ZINC000295834213 455860798 /nfs/dbraw/zinc/86/07/98/455860798.db2.gz CNUVDJAIWKSJGJ-XKQJLSEDSA-N 0 0 335.831 3.295 20 10 EGCDRN O=C(/C=C\c1cncc(F)c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000255266999 455863887 /nfs/dbraw/zinc/86/38/87/455863887.db2.gz KJAFVITXDUQAGJ-ZEVQVBBLSA-N 0 0 337.398 3.245 20 10 EGCDRN O[C@H](COCc1ccccc1F)COc1ccc(N2CCCC2)cc1 ZINC000270055729 455867009 /nfs/dbraw/zinc/86/70/09/455867009.db2.gz BLIOQZGWEPIAKX-GOSISDBHSA-N 0 0 345.414 3.382 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]nc1-c1ccoc1 ZINC000279613209 455869088 /nfs/dbraw/zinc/86/90/88/455869088.db2.gz ZGNGJPMCPJHBHL-UHFFFAOYSA-N 0 0 337.379 3.184 20 10 EGCDRN CO[C@@H]1CCC[C@H](CC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000279664160 455870054 /nfs/dbraw/zinc/87/00/54/455870054.db2.gz GTNAXXWCXYCMBB-MAUKXSAKSA-N 0 0 330.472 3.281 20 10 EGCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2nc(C)no2)c1O ZINC000285710203 455901728 /nfs/dbraw/zinc/90/17/28/455901728.db2.gz PMMPDQZROCDKJR-OAHLLOKOSA-N 0 0 333.363 3.153 20 10 EGCDRN CC[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000285730532 455905509 /nfs/dbraw/zinc/90/55/09/455905509.db2.gz QPFWIAWGLUYFEH-SMDDNHRTSA-N 0 0 334.357 3.456 20 10 EGCDRN CC[C@@H]([NH2+]CCNC(=O)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000280186884 455911114 /nfs/dbraw/zinc/91/11/14/455911114.db2.gz RZCVTIWGOIDOCM-GOSISDBHSA-N 0 0 342.439 3.180 20 10 EGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000272370209 455928445 /nfs/dbraw/zinc/92/84/45/455928445.db2.gz UCDVYGALVKATHH-OAHLLOKOSA-N 0 0 330.359 3.244 20 10 EGCDRN CO[C@]1(C)CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000280280052 455934123 /nfs/dbraw/zinc/93/41/23/455934123.db2.gz OABJYDYGFVZYHM-HXUWFJFHSA-N 0 0 345.487 3.387 20 10 EGCDRN CC[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(C)cc1O ZINC000280297868 455940102 /nfs/dbraw/zinc/94/01/02/455940102.db2.gz ZRDHNDZTGIAFHB-HNNXBMFYSA-N 0 0 325.412 3.454 20 10 EGCDRN CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187749082 455947804 /nfs/dbraw/zinc/94/78/04/455947804.db2.gz VRIYQFLGYUWVEC-SBFCKYEPSA-N 0 0 331.428 3.401 20 10 EGCDRN CC[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(F)cc1O ZINC000286101018 455978254 /nfs/dbraw/zinc/97/82/54/455978254.db2.gz MORNHVYHNWFOPY-QGZVFWFLSA-N 0 0 343.402 3.031 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000270654197 456007108 /nfs/dbraw/zinc/00/71/08/456007108.db2.gz MRZUVOIBGQTKHS-WMZOPIPTSA-N 0 0 347.503 3.488 20 10 EGCDRN CC(C)c1nc(-c2ccccc2NC(=O)c2cccc(O)c2O)n[nH]1 ZINC000188253614 456030175 /nfs/dbraw/zinc/03/01/75/456030175.db2.gz JCHALLZHDXDZGP-UHFFFAOYSA-N 0 0 338.367 3.259 20 10 EGCDRN C[C@@H]1NC(=O)N(Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1=O ZINC000286420159 456044181 /nfs/dbraw/zinc/04/41/81/456044181.db2.gz SFEKZNSGDIKHSJ-RYUDHWBXSA-N 0 0 335.835 3.017 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@](F)(CO)C1 ZINC000286690213 456052241 /nfs/dbraw/zinc/05/22/41/456052241.db2.gz FYYNGPMTSLRRRQ-HXUWFJFHSA-N 0 0 344.430 3.339 20 10 EGCDRN c1nnc(NCc2ccc(N3CCCCC3)cc2)n1-c1cccnc1 ZINC000287168280 456062570 /nfs/dbraw/zinc/06/25/70/456062570.db2.gz AWXHKACYLIRJCH-UHFFFAOYSA-N 0 0 334.427 3.265 20 10 EGCDRN CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000272760466 456063312 /nfs/dbraw/zinc/06/33/12/456063312.db2.gz PGUULDCTBWNESK-KSSFIOAISA-N 0 0 336.451 3.349 20 10 EGCDRN CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cccc(Cl)c1[O-] ZINC000287778533 456078366 /nfs/dbraw/zinc/07/83/66/456078366.db2.gz RZIHIHGEILEPEQ-HNNXBMFYSA-N 0 0 326.868 3.197 20 10 EGCDRN CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287872678 456080286 /nfs/dbraw/zinc/08/02/86/456080286.db2.gz XZSCMMRQHGHRTC-QWHCGFSZSA-N 0 0 331.243 3.408 20 10 EGCDRN CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000280961226 456093259 /nfs/dbraw/zinc/09/32/59/456093259.db2.gz KNIGJMXFNBSHTC-GDBMZVCRSA-N 0 0 326.440 3.455 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(N)=S)cc1 ZINC000281076951 456127159 /nfs/dbraw/zinc/12/71/59/456127159.db2.gz FRAZVXVYBRDIES-UHFFFAOYSA-N 0 0 341.480 3.049 20 10 EGCDRN CC(C)CC(=O)Nc1ccc(C(=O)NCc2ccc(N)cc2)cc1F ZINC000297136550 456129300 /nfs/dbraw/zinc/12/93/00/456129300.db2.gz HUVFXJKRRGRYAC-UHFFFAOYSA-N 0 0 343.402 3.323 20 10 EGCDRN Cc1ccccc1-n1cc(CNCc2ccc(N(C)C)c(F)c2)nn1 ZINC000289776815 456140559 /nfs/dbraw/zinc/14/05/59/456140559.db2.gz PQMVFZUTQHSYDV-UHFFFAOYSA-N 0 0 339.418 3.071 20 10 EGCDRN COc1ccc(N2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)cc1F ZINC000301572857 456150652 /nfs/dbraw/zinc/15/06/52/456150652.db2.gz OVHCNBSPFQLXTD-UHFFFAOYSA-N 0 0 345.374 3.378 20 10 EGCDRN CN(C)c1ccc(CNC(=O)CCc2cccc(N(C)C)c2)cc1 ZINC000188888538 456161233 /nfs/dbraw/zinc/16/12/33/456161233.db2.gz HILRNTDWESPIQX-UHFFFAOYSA-N 0 0 325.456 3.068 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC000289876435 456164292 /nfs/dbraw/zinc/16/42/92/456164292.db2.gz PKEHMRBQFVWNOH-HNNXBMFYSA-N 0 0 328.387 3.016 20 10 EGCDRN C[C@H]1C[C@@H](CCNC(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000273068033 456166911 /nfs/dbraw/zinc/16/69/11/456166911.db2.gz ISUAUYAXRFAVNG-HOTGVXAUSA-N 0 0 345.487 3.073 20 10 EGCDRN COCOc1ccc(OC)cc1CNc1ccc2c(c1)ncn2C ZINC000271211115 456174493 /nfs/dbraw/zinc/17/44/93/456174493.db2.gz KWVVJQGNFITNPD-UHFFFAOYSA-N 0 0 327.384 3.177 20 10 EGCDRN CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccccc1O ZINC000263702008 456196333 /nfs/dbraw/zinc/19/63/33/456196333.db2.gz ISDSDWZKQVGGON-INIZCTEOSA-N 0 0 326.396 3.278 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@@H](C)C3)cc2)CC1 ZINC000271268658 456197719 /nfs/dbraw/zinc/19/77/19/456197719.db2.gz NZUVBYJDDSUSDH-FUHWJXTLSA-N 0 0 345.487 3.290 20 10 EGCDRN 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DJUXSAIFFYWQFH-SCLBCKFNSA-N 0 0 332.419 3.493 20 10 EGCDRN C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1[O-] ZINC000186019220 455676810 /nfs/dbraw/zinc/67/68/10/455676810.db2.gz NKBAXTAGCHXVJP-HNNXBMFYSA-N 0 0 336.451 3.217 20 10 EGCDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccc(C)c(O)c1O)C2 ZINC000292529169 455688613 /nfs/dbraw/zinc/68/86/13/455688613.db2.gz RCAUFIJKGHBPCU-UHFFFAOYSA-N 0 0 339.391 3.102 20 10 EGCDRN C[C@H](NCc1nnc2n1CCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000268789970 455714740 /nfs/dbraw/zinc/71/47/40/455714740.db2.gz XLHNMRKIMLYIKH-AWEZNQCLSA-N 0 0 343.450 3.205 20 10 EGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)COCc1ccccc1 ZINC000271740271 455740861 /nfs/dbraw/zinc/74/08/61/455740861.db2.gz QIKUGARMVBHEQV-MRXNPFEDSA-N 0 0 335.831 3.055 20 10 EGCDRN COc1c([O-])c(C[NH2+]C(C)(C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278102783 455758582 /nfs/dbraw/zinc/75/85/82/455758582.db2.gz AFLJEJSZKZYRTR-UHFFFAOYSA-N 0 0 334.347 3.473 20 10 EGCDRN CCCOc1cccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000186389791 455759098 /nfs/dbraw/zinc/75/90/98/455759098.db2.gz GMRNGHCXVUJPRD-CQSZACIVSA-N 0 0 343.423 3.177 20 10 EGCDRN CC[C@@H](C)Oc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccn1 ZINC000186443509 455770102 /nfs/dbraw/zinc/77/01/02/455770102.db2.gz GWCJQQLTPIWNGL-QWHCGFSZSA-N 0 0 344.411 3.031 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@]23CCOC3=O)c(C)n1-c1ccccc1 ZINC000186526693 455787231 /nfs/dbraw/zinc/78/72/31/455787231.db2.gz QUVTWSNFIMUKOO-HXUWFJFHSA-N 0 0 338.407 3.016 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)C(C)(C)C ZINC000269145291 455797908 /nfs/dbraw/zinc/79/79/08/455797908.db2.gz JRNNFDUJCMNAFS-UHFFFAOYSA-N 0 0 342.233 3.118 20 10 EGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293822136 455798057 /nfs/dbraw/zinc/79/80/57/455798057.db2.gz FXYOBAKNZJZMDH-UHFFFAOYSA-N 0 0 332.831 3.172 20 10 EGCDRN COCc1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000285209708 455804948 /nfs/dbraw/zinc/80/49/48/455804948.db2.gz WTTLPFSEWIAJRO-UHFFFAOYSA-N 0 0 347.484 3.406 20 10 EGCDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCOC[C@@H]1CO ZINC000294304942 455810757 /nfs/dbraw/zinc/81/07/57/455810757.db2.gz UMYVGWOZCIOODT-UAFUQJIBSA-N 0 0 340.383 3.327 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc2c(s1)CCCC2 ZINC000186660429 455813895 /nfs/dbraw/zinc/81/38/95/455813895.db2.gz BLZQPGLYEZXTTM-JTQLQIEISA-N 0 0 347.440 3.186 20 10 EGCDRN CC/C(C)=C/C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000294457851 455816900 /nfs/dbraw/zinc/81/69/00/455816900.db2.gz MNDBQKNUYNZXFL-DMUBJSPUSA-N 0 0 334.435 3.412 20 10 EGCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CC1(F)F ZINC000294822384 455828932 /nfs/dbraw/zinc/82/89/32/455828932.db2.gz DLRHLJDRRNGCQA-ZWNOBZJWSA-N 0 0 346.324 3.028 20 10 EGCDRN Cc1cc(C)c([C@H](C)Nc2ccc(OCCC(N)=O)cc2)c(O)c1 ZINC000294973402 455834822 /nfs/dbraw/zinc/83/48/22/455834822.db2.gz ZNONWSLPDIPYRE-AWEZNQCLSA-N 0 0 328.412 3.436 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@H]2CCC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278478613 455837285 /nfs/dbraw/zinc/83/72/85/455837285.db2.gz ITYZNOKZLRVJDL-RYUDHWBXSA-N 0 0 326.418 3.073 20 10 EGCDRN COc1cc(N(C)C[C@@H](Cc2ccccc2)OC)cc(OC)c1OC ZINC000295059466 455837422 /nfs/dbraw/zinc/83/74/22/455837422.db2.gz PHSSUJVUWJPJBZ-QGZVFWFLSA-N 0 0 345.439 3.406 20 10 EGCDRN COC(=O)c1cnc(SCc2csc([C@@H](C)OC)n2)s1 ZINC000295163447 455840912 /nfs/dbraw/zinc/84/09/12/455840912.db2.gz HFZZAIRSWHPRGW-SSDOTTSWSA-N 0 0 330.456 3.386 20 10 EGCDRN COC(=O)c1cnc(SCCOc2ccccc2C(C)=O)s1 ZINC000295168450 455841051 /nfs/dbraw/zinc/84/10/51/455841051.db2.gz IBJMRESQHRAGQD-UHFFFAOYSA-N 0 0 337.422 3.303 20 10 EGCDRN COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000278762903 455846954 /nfs/dbraw/zinc/84/69/54/455846954.db2.gz OUAMZUGXCKAKFA-WDEREUQCSA-N 0 0 333.259 3.070 20 10 EGCDRN CC[C@H]([NH2+]Cc1cccnc1OCCOC)c1ccc(F)cc1[O-] ZINC000285474437 455852326 /nfs/dbraw/zinc/85/23/26/455852326.db2.gz BBQRNVSLFOUNGI-INIZCTEOSA-N 0 0 334.391 3.192 20 10 EGCDRN Cc1nc[nH]c1CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000278900991 455852502 /nfs/dbraw/zinc/85/25/02/455852502.db2.gz PQDGFYUTKXKWJT-UHFFFAOYSA-N 0 0 340.471 3.346 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1[O-] ZINC000295600693 455854666 /nfs/dbraw/zinc/85/46/66/455854666.db2.gz XGHSYVQFNQDQTP-AWEZNQCLSA-N 0 0 325.836 3.231 20 10 EGCDRN Oc1cccc2c1[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)CC2 ZINC000295775961 455859279 /nfs/dbraw/zinc/85/92/79/455859279.db2.gz AOCCQAYELULELS-RBUKOAKNSA-N 0 0 338.451 3.043 20 10 EGCDRN CCN(C(=O)/C=C\c1cccnc1)c1ccc(Br)cn1 ZINC000255224360 455863730 /nfs/dbraw/zinc/86/37/30/455863730.db2.gz BPJIVJRQZPLHTK-YVMONPNESA-N 0 0 332.201 3.305 20 10 EGCDRN CCc1nnc([C@H](C)NCc2ccc(N(C)C)cc2C(F)(F)F)[nH]1 ZINC000279784324 455873804 /nfs/dbraw/zinc/87/38/04/455873804.db2.gz BDVQOOQTJZVDFJ-JTQLQIEISA-N 0 0 341.381 3.303 20 10 EGCDRN Cc1nc(N2CCOCC2)ccc1N[C@H]1CCc2cccc(O)c21 ZINC000296232185 455886779 /nfs/dbraw/zinc/88/67/79/455886779.db2.gz ANCUVNMLHWUPAY-INIZCTEOSA-N 0 0 325.412 3.032 20 10 EGCDRN Cc1cncc(/C=C/C(=O)N(C)c2cccc(Br)n2)c1 ZINC000187268658 455889558 /nfs/dbraw/zinc/88/95/58/455889558.db2.gz SOXZKOYQFRVSCQ-VOTSOKGWSA-N 0 0 332.201 3.224 20 10 EGCDRN CC[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1[O-] ZINC000285694370 455898375 /nfs/dbraw/zinc/89/83/75/455898375.db2.gz OOWSXTWTOWBOQY-INIZCTEOSA-N 0 0 346.402 3.470 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000270237809 455908562 /nfs/dbraw/zinc/90/85/62/455908562.db2.gz PWXHEWGURHOMEJ-INIZCTEOSA-N 0 0 340.471 3.018 20 10 EGCDRN CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000187636755 455932115 /nfs/dbraw/zinc/93/21/15/455932115.db2.gz MYISZZPPAKXEEE-QGZVFWFLSA-N 0 0 325.836 3.233 20 10 EGCDRN C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000187713089 455942988 /nfs/dbraw/zinc/94/29/88/455942988.db2.gz VVXDRHBJODCJAB-WBMJQRKESA-N 0 0 348.393 3.021 20 10 EGCDRN COc1ccc(CS(C)(=O)=O)cc1N[C@H]1CCc2cccc(O)c21 ZINC000296634842 455996494 /nfs/dbraw/zinc/99/64/94/455996494.db2.gz BPJQIGYAIVHHKD-AWEZNQCLSA-N 0 0 347.436 3.045 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H](O)c1cccc(F)c1 ZINC000270628574 455999821 /nfs/dbraw/zinc/99/98/21/455999821.db2.gz VLLPFXHLICSFMS-SFHVURJKSA-N 0 0 331.387 3.394 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1[O-] ZINC000188249529 456030460 /nfs/dbraw/zinc/03/04/60/456030460.db2.gz HWWNYBKGDZXLJJ-OAHLLOKOSA-N 0 0 340.807 3.345 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000280693696 456033174 /nfs/dbraw/zinc/03/31/74/456033174.db2.gz RJXSRKUJWROTBD-UHFFFAOYSA-N 0 0 329.371 3.332 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000280807782 456057027 /nfs/dbraw/zinc/05/70/27/456057027.db2.gz TXMQNYGPJOJYKK-CTYIDZIISA-N 0 0 346.358 3.484 20 10 EGCDRN CC[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc(Cl)c1[O-] ZINC000287295827 456065634 /nfs/dbraw/zinc/06/56/34/456065634.db2.gz CEEIHMNSAXBEAW-INIZCTEOSA-N 0 0 332.831 3.428 20 10 EGCDRN Cc1ccc(C(=O)N2CCC[C@H]2COc2ccccc2)c(O)c1O ZINC000296967472 456077700 /nfs/dbraw/zinc/07/77/00/456077700.db2.gz QFXRVCZGFQYZGC-AWEZNQCLSA-N 0 0 327.380 3.090 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1=CCCOC1 ZINC000287945476 456082841 /nfs/dbraw/zinc/08/28/41/456082841.db2.gz KVCCJXSVLDLXSI-UHFFFAOYSA-N 0 0 331.460 3.019 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000272868730 456095003 /nfs/dbraw/zinc/09/50/03/456095003.db2.gz OGMFDQYTRMNDGT-KGLIPLIRSA-N 0 0 348.468 3.054 20 10 EGCDRN CN(C)c1ccc(CNc2ccc(F)c(N3CCCNC3=O)c2)cc1 ZINC000288428762 456095384 /nfs/dbraw/zinc/09/53/84/456095384.db2.gz KPBTYNLFQMCZDV-UHFFFAOYSA-N 0 0 342.418 3.424 20 10 EGCDRN C[C@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000288532537 456098547 /nfs/dbraw/zinc/09/85/47/456098547.db2.gz ZWWMCDQNBKGZTJ-AUUYWEPGSA-N 0 0 339.439 3.416 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc2nc(C)nn2c1 ZINC000281012081 456109138 /nfs/dbraw/zinc/10/91/38/456109138.db2.gz QWUURQHADSNPQG-UHFFFAOYSA-N 0 0 339.399 3.187 20 10 EGCDRN COc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1N1CCOC1=O ZINC000297088969 456115644 /nfs/dbraw/zinc/11/56/44/456115644.db2.gz XCFHFKURGVRIKZ-CQSZACIVSA-N 0 0 340.379 3.457 20 10 EGCDRN COc1cccc(CN(C)Cc2nc(-c3cccs3)no2)c1O ZINC000289379182 456123216 /nfs/dbraw/zinc/12/32/16/456123216.db2.gz MJAOZKYVCIOYGP-UHFFFAOYSA-N 0 0 331.397 3.144 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1=CCCCC1 ZINC000297169741 456138882 /nfs/dbraw/zinc/13/88/82/456138882.db2.gz LVTAKQGXKORKRD-UHFFFAOYSA-N 0 0 343.471 3.165 20 10 EGCDRN CCCc1nnc(NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000301649474 456174936 /nfs/dbraw/zinc/17/49/36/456174936.db2.gz FTMRKNUJZAWWTA-UHFFFAOYSA-N 0 0 336.436 3.078 20 10 EGCDRN Cc1nc(Cl)cc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000263779094 456220038 /nfs/dbraw/zinc/22/00/38/456220038.db2.gz LKNTUFZXTWELCI-UHFFFAOYSA-N 0 0 346.862 3.259 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000273363315 456225867 /nfs/dbraw/zinc/22/58/67/456225867.db2.gz AVODXYDNENQYSR-MEDUHNTESA-N 0 0 327.380 3.223 20 10 EGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273397509 456227546 /nfs/dbraw/zinc/22/75/46/456227546.db2.gz MEFFQUVPZHPXRC-MGPLVRAMSA-N 0 0 336.775 3.338 20 10 EGCDRN C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398484 456227591 /nfs/dbraw/zinc/22/75/91/456227591.db2.gz MPZXLFOOLDSPKC-BXUZGUMPSA-N 0 0 335.429 3.315 20 10 EGCDRN Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000273425085 456230681 /nfs/dbraw/zinc/23/06/81/456230681.db2.gz TYEUCJSEGKVGBW-GDBMZVCRSA-N 0 0 345.370 3.195 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000273429187 456230699 /nfs/dbraw/zinc/23/06/99/456230699.db2.gz VDBRYJRVWQTHIY-DIFFPNOSSA-N 0 0 349.814 3.216 20 10 EGCDRN C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(F)cc1[O-] ZINC000273464273 456233832 /nfs/dbraw/zinc/23/38/32/456233832.db2.gz DKTRTRIMPQSKTR-LBPRGKRZSA-N 0 0 328.387 3.274 20 10 EGCDRN C[C@H](Nc1cccc(OCC(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000273489425 456235095 /nfs/dbraw/zinc/23/50/95/456235095.db2.gz OAIPZYCONIOJJD-ZDUSSCGKSA-N 0 0 340.423 3.308 20 10 EGCDRN Cc1nnc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000273505158 456235489 /nfs/dbraw/zinc/23/54/89/456235489.db2.gz AVTPOYOFJXOOCK-LBPRGKRZSA-N 0 0 345.472 3.007 20 10 EGCDRN CCCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)co1 ZINC000273544848 456237506 /nfs/dbraw/zinc/23/75/06/456237506.db2.gz GRWIEGSISWNBEN-UHFFFAOYSA-N 0 0 327.428 3.498 20 10 EGCDRN CO[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000297502810 456237603 /nfs/dbraw/zinc/23/76/03/456237603.db2.gz OKEODVFNCIPLGX-SFHVURJKSA-N 0 0 333.476 3.098 20 10 EGCDRN COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273555187 456239547 /nfs/dbraw/zinc/23/95/47/456239547.db2.gz GRSBCMXGTUZIJH-CHWSQXEVSA-N 0 0 346.383 3.427 20 10 EGCDRN COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000273610356 456240554 /nfs/dbraw/zinc/24/05/54/456240554.db2.gz VPFCHOFYNZZTKC-JTQLQIEISA-N 0 0 347.327 3.068 20 10 EGCDRN CCc1nnc(C)cc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000273612998 456240623 /nfs/dbraw/zinc/24/06/23/456240623.db2.gz RQSFWBTXZWWBRT-UHFFFAOYSA-N 0 0 326.444 3.076 20 10 EGCDRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1ccccc1O ZINC000281506985 456251674 /nfs/dbraw/zinc/25/16/74/456251674.db2.gz HALXWABFVACAFT-IFXJQAMLSA-N 0 0 340.423 3.483 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000274917055 456267605 /nfs/dbraw/zinc/26/76/05/456267605.db2.gz KILYIJBAVFJFMV-ZBFHGGJFSA-N 0 0 339.435 3.340 20 10 EGCDRN CC(C)(O)CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000275065327 456269475 /nfs/dbraw/zinc/26/94/75/456269475.db2.gz XTKOEXILWHWUKB-UHFFFAOYSA-N 0 0 334.460 3.398 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000275433746 456274726 /nfs/dbraw/zinc/27/47/26/456274726.db2.gz VRSXZWDEQCDZSO-IEBWSBKVSA-N 0 0 347.503 3.224 20 10 EGCDRN 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C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756609938 1300530313 /nfs/dbraw/zinc/53/03/13/1300530313.db2.gz GOCPTTHCPDXQTL-NHCYSSNCSA-N 0 0 345.256 3.427 20 10 EGCDRN C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000756614825 1300532002 /nfs/dbraw/zinc/53/20/02/1300532002.db2.gz BCHIUJMJEBQFFZ-GHMZBOCLSA-N 0 0 345.256 3.429 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756658546 1300544139 /nfs/dbraw/zinc/54/41/39/1300544139.db2.gz KTEFXGMFNBBZKC-SMDDNHRTSA-N 0 0 338.398 3.112 20 10 EGCDRN C[C@H]([NH2+]CCOc1ncccc1Cl)c1cc(F)cc(F)c1[O-] ZINC000756760172 1300560878 /nfs/dbraw/zinc/56/08/78/1300560878.db2.gz MMHLNUVSTZHXHZ-VIFPVBQESA-N 0 0 328.746 3.448 20 10 EGCDRN C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000756769780 1300562857 /nfs/dbraw/zinc/56/28/57/1300562857.db2.gz NJNCUHHPIAXVSO-PSASIEDQSA-N 0 0 332.213 3.105 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCSCC(F)(F)F)c1 ZINC000756780458 1300565187 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1318747365 /nfs/dbraw/zinc/74/73/65/1318747365.db2.gz MACZXNKRBHQJMV-QFBILLFUSA-N 0 0 330.472 3.449 20 10 EGCDRN CC(C)(C)OC(=O)c1cccc(NCCc2ccc(O)c(O)c2)n1 ZINC000814857898 1318832748 /nfs/dbraw/zinc/83/27/48/1318832748.db2.gz BIAMRFJHILFWJQ-UHFFFAOYSA-N 0 0 330.384 3.103 20 10 EGCDRN Cc1cc(CN2CCOC[C@H]2c2noc(C(C)C)n2)ccc1N(C)C ZINC000815087317 1318887343 /nfs/dbraw/zinc/88/73/43/1318887343.db2.gz XBVZMYWUQQDHHX-KRWDZBQOSA-N 0 0 344.459 3.141 20 10 EGCDRN Cc1cc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)ccc1N(C)C ZINC000815104204 1318891175 /nfs/dbraw/zinc/89/11/75/1318891175.db2.gz DJYQJMSKDRZGRL-HNNXBMFYSA-N 0 0 326.366 3.188 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815618202 1319028432 /nfs/dbraw/zinc/02/84/32/1319028432.db2.gz GSYAZWCVDKZOFL-MNOVXSKESA-N 0 0 325.334 3.273 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815620557 1319030606 /nfs/dbraw/zinc/03/06/06/1319030606.db2.gz URTQJGDGUCYBAO-BDAKNGLRSA-N 0 0 341.337 3.144 20 10 EGCDRN Cc1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)o1 ZINC000815796769 1319056412 /nfs/dbraw/zinc/05/64/12/1319056412.db2.gz KUCFSHYQWJEDSQ-UHFFFAOYSA-N 0 0 326.352 3.433 20 10 EGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000815835017 1319061668 /nfs/dbraw/zinc/06/16/68/1319061668.db2.gz IEJVZUKYKHFZCX-APPDUMDISA-N 0 0 347.436 3.029 20 10 EGCDRN COc1ccc(O)c(CNC(=O)C2CC(c3ccc(F)cc3)C2)c1 ZINC000815835385 1319061974 /nfs/dbraw/zinc/06/19/74/1319061974.db2.gz RDTQUDAYMHCYDP-UHFFFAOYSA-N 0 0 329.371 3.350 20 10 EGCDRN [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000816516228 1319173242 /nfs/dbraw/zinc/17/32/42/1319173242.db2.gz YNVKUYCRWNEJIG-ZDUSSCGKSA-N 0 0 326.843 3.493 20 10 EGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1nncn1-c1ccccc1 ZINC000816535510 1319177617 /nfs/dbraw/zinc/17/76/17/1319177617.db2.gz QQNGTHUXWLYHIG-UHFFFAOYSA-N 0 0 332.766 3.055 20 10 EGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000816535812 1319177644 /nfs/dbraw/zinc/17/76/44/1319177644.db2.gz AQNVETUQOQUQLU-UHFFFAOYSA-N 0 0 349.837 3.334 20 10 EGCDRN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816558377 1319182526 /nfs/dbraw/zinc/18/25/26/1319182526.db2.gz WEQNVOCUSHFMEP-SNVBAGLBSA-N 0 0 346.830 3.435 20 10 EGCDRN O=C1NCCN1Cc1ccccc1NCc1cc(Cl)c(F)cc1O ZINC000816565311 1319184421 /nfs/dbraw/zinc/18/44/21/1319184421.db2.gz KNBOEAJIXSPHDI-UHFFFAOYSA-N 0 0 349.793 3.322 20 10 EGCDRN CC(C)Oc1ccc(N(C)Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000816591636 1319188346 /nfs/dbraw/zinc/18/83/46/1319188346.db2.gz JYIGSATVTZSTNX-UHFFFAOYSA-N 0 0 326.396 3.441 20 10 EGCDRN [NH3+]CCN(Cc1cc(Cl)c(F)cc1O)c1ccc([N+](=O)[O-])cc1 ZINC000816610281 1319192782 /nfs/dbraw/zinc/19/27/82/1319192782.db2.gz FPFSJUGJGKMSEL-UHFFFAOYSA-N 0 0 339.754 3.058 20 10 EGCDRN NC(=O)Nc1cc(NCc2cc(Cl)c(F)cc2O)ccc1F ZINC000816623416 1319197522 /nfs/dbraw/zinc/19/75/22/1319197522.db2.gz BLIITHAJIVEYNG-UHFFFAOYSA-N 0 0 327.718 3.427 20 10 EGCDRN CN1CCCc2cc(CNC(=O)c3conc3C(F)(F)F)ccc21 ZINC000816910998 1319245540 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/nfs/dbraw/zinc/05/80/72/1299058072.db2.gz PLOCQRRGCZBBKG-LJQANCHMSA-N 0 0 328.412 3.166 20 10 EGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC12CCOCC2 ZINC000748847470 1299092082 /nfs/dbraw/zinc/09/20/82/1299092082.db2.gz YJWLDAXMLCBWND-GOSISDBHSA-N 0 0 328.456 3.110 20 10 EGCDRN O=C([C@H]1CC12CCOCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000748849956 1299092770 /nfs/dbraw/zinc/09/27/70/1299092770.db2.gz FGDNWIPLDBXLFH-QGZVFWFLSA-N 0 0 341.407 3.331 20 10 EGCDRN CC(C)CC(=O)N[C@H](C(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877078317 1299146868 /nfs/dbraw/zinc/14/68/68/1299146868.db2.gz LPUMFDANJIVMQQ-IBGZPJMESA-N 0 0 339.439 3.135 20 10 EGCDRN CCCN(CC)C(=O)c1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877078108 1299147082 /nfs/dbraw/zinc/14/70/82/1299147082.db2.gz DDUFYTMCPHWYBN-UHFFFAOYSA-N 0 0 339.439 3.418 20 10 EGCDRN CCOc1cccc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877094653 1299154837 /nfs/dbraw/zinc/15/48/37/1299154837.db2.gz LVDSRGVHMAKKRE-UHFFFAOYSA-N 0 0 327.428 3.054 20 10 EGCDRN CC(C)Oc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877115691 1299163178 /nfs/dbraw/zinc/16/31/78/1299163178.db2.gz MBISHTZDILSHKL-UHFFFAOYSA-N 0 0 341.455 3.442 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)NCc2cccc(F)n2)C2CC2)cc1 ZINC000749245592 1299175762 /nfs/dbraw/zinc/17/57/62/1299175762.db2.gz ZZTVLYIFOPFKGK-UHFFFAOYSA-N 0 0 342.418 3.161 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccccc2CO)cc1 ZINC000749356406 1299200119 /nfs/dbraw/zinc/20/01/19/1299200119.db2.gz MKCHVYXGGGRPLI-UHFFFAOYSA-N 0 0 341.455 3.025 20 10 EGCDRN Cc1noc(C)c1[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000749850509 1299287115 /nfs/dbraw/zinc/28/71/15/1299287115.db2.gz KYDXFCNTKKXRFO-CYBMUJFWSA-N 0 0 327.428 3.312 20 10 EGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cnn(C)c1 ZINC000749878005 1299290573 /nfs/dbraw/zinc/29/05/73/1299290573.db2.gz DCBWWDOHOVMCSK-MRXNPFEDSA-N 0 0 340.471 3.173 20 10 EGCDRN O=c1[nH]c2cc(NCc3ccc(N4CCC(O)CC4)cc3)ccc2o1 ZINC000877462424 1299317197 /nfs/dbraw/zinc/31/71/97/1299317197.db2.gz QHSBPCNSABEZHT-UHFFFAOYSA-N 0 0 339.395 3.107 20 10 EGCDRN Cc1cccc(O)c1CNc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000877514256 1299357745 /nfs/dbraw/zinc/35/77/45/1299357745.db2.gz LLIQNLBJOXBZDG-UHFFFAOYSA-N 0 0 348.468 3.390 20 10 EGCDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC000750621911 1299434957 /nfs/dbraw/zinc/43/49/57/1299434957.db2.gz MBCZBBUCRNNRDB-CYBMUJFWSA-N 0 0 343.379 3.207 20 10 EGCDRN OC1CCN(c2ccc(CNCc3nc(Cl)cs3)cc2)CC1 ZINC000877637558 1299446193 /nfs/dbraw/zinc/44/61/93/1299446193.db2.gz WFHKCWMMOWVBEM-UHFFFAOYSA-N 0 0 337.876 3.047 20 10 EGCDRN CCOc1cccc(CN[C@](CC)(C(=O)OC)c2ccccc2)c1O ZINC000877675713 1299471398 /nfs/dbraw/zinc/47/13/98/1299471398.db2.gz OJTBSRGRMMOKSN-FQEVSTJZSA-N 0 0 343.423 3.359 20 10 EGCDRN COc1ccc(N2CCN(Cc3ccncc3Cl)CC2)c(OC)c1 ZINC000877708878 1299498189 /nfs/dbraw/zinc/49/81/89/1299498189.db2.gz YMBLTMCHWPECJV-UHFFFAOYSA-N 0 0 347.846 3.074 20 10 EGCDRN Cc1ccc2c(c1)N[C@H](c1cc(O)cc(Br)c1O)NC2=O ZINC000877865000 1299614935 /nfs/dbraw/zinc/61/49/35/1299614935.db2.gz VPNMWDMDAKRASO-AWEZNQCLSA-N 0 0 349.184 3.023 20 10 EGCDRN O=C(/C=C\C1CCOCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000752085449 1299692050 /nfs/dbraw/zinc/69/20/50/1299692050.db2.gz ADWPMEKVHKOLBH-FPLPWBNLSA-N 0 0 341.407 3.497 20 10 EGCDRN O=[N+]([O-])c1cc(CNCc2ncccc2F)ccc1N1CCCCC1 ZINC000752090159 1299692751 /nfs/dbraw/zinc/69/27/51/1299692751.db2.gz VYBJFYOCJLYTAH-UHFFFAOYSA-N 0 0 344.390 3.409 20 10 EGCDRN COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(OC)c1 ZINC000752123700 1299699700 /nfs/dbraw/zinc/69/97/00/1299699700.db2.gz WGPFFKJJRHJYEZ-SQWLQELKSA-N 0 0 334.460 3.081 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000752558379 1299757035 /nfs/dbraw/zinc/75/70/35/1299757035.db2.gz AGKLVJGDLRZDGG-OAHLLOKOSA-N 0 0 348.443 3.044 20 10 EGCDRN COc1cc(N(C)CC(=O)c2ccccc2F)cc(OC)c1OC ZINC000878128562 1299765863 /nfs/dbraw/zinc/76/58/63/1299765863.db2.gz GHBUJKKPPNLMHQ-UHFFFAOYSA-N 0 0 333.359 3.171 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)COc2ccccc2O)cc1 ZINC000752760041 1299788534 /nfs/dbraw/zinc/78/85/34/1299788534.db2.gz HRECOWUGKLSIRF-UHFFFAOYSA-N 0 0 342.439 3.276 20 10 EGCDRN COCCOc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000878184014 1299800191 /nfs/dbraw/zinc/80/01/91/1299800191.db2.gz OXFPUHPPMCGJPR-CYBMUJFWSA-N 0 0 330.384 3.300 20 10 EGCDRN CC(=O)Nc1ncccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000753715225 1300009386 /nfs/dbraw/zinc/00/93/86/1300009386.db2.gz XPHHUIYWMXQSHA-UHFFFAOYSA-N 0 0 349.394 3.095 20 10 EGCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1F ZINC000753799764 1300022645 /nfs/dbraw/zinc/02/26/45/1300022645.db2.gz SMNILJSKBROFBD-PBHICJAKSA-N 0 0 349.450 3.245 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)c1nccs1 ZINC000754304879 1300119278 /nfs/dbraw/zinc/11/92/78/1300119278.db2.gz NPLCRXOFCFMIMO-ZDUSSCGKSA-N 0 0 332.473 3.120 20 10 EGCDRN COCC[C@@H](C)OC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000754612608 1300175378 /nfs/dbraw/zinc/17/53/78/1300175378.db2.gz WSVARDBWRHDKRQ-CYBMUJFWSA-N 0 0 333.428 3.486 20 10 EGCDRN Cc1cc(C(=O)CN(C)c2cnn(C)c2)c(C)n1-c1cccc(F)c1 ZINC000754655976 1300184654 /nfs/dbraw/zinc/18/46/54/1300184654.db2.gz BQVOQMKCUNWLMD-UHFFFAOYSA-N 0 0 340.402 3.286 20 10 EGCDRN CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756357630 1300474659 /nfs/dbraw/zinc/47/46/59/1300474659.db2.gz NZPCQFQPFFZVPG-WDEREUQCSA-N 0 0 345.256 3.429 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCOc2ccccc2F)c1 ZINC000756412402 1300486159 /nfs/dbraw/zinc/48/61/59/1300486159.db2.gz SSMYMGNSCGTYNE-ZDUSSCGKSA-N 0 0 347.386 3.438 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)C(F)(F)c2nccs2)cc1 ZINC000756443152 1300492852 /nfs/dbraw/zinc/49/28/52/1300492852.db2.gz GSZWJSUJALXVFD-UHFFFAOYSA-N 0 0 339.411 3.398 20 10 EGCDRN C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756448345 1300493444 /nfs/dbraw/zinc/49/34/44/1300493444.db2.gz BFVXERKFEYAPPO-CQSZACIVSA-N 0 0 329.400 3.083 20 10 EGCDRN CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756478009 1300502698 /nfs/dbraw/zinc/50/26/98/1300502698.db2.gz DKJOMHJDNSUQFB-CYBMUJFWSA-N 0 0 348.393 3.370 20 10 EGCDRN C[C@H]([NH2+]CCN1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756482910 1300503714 /nfs/dbraw/zinc/50/37/14/1300503714.db2.gz KXSFLIUSNPSZQT-AWEZNQCLSA-N 0 0 341.411 3.404 20 10 EGCDRN C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756491719 1300506346 /nfs/dbraw/zinc/50/63/46/1300506346.db2.gz YDWVMAYRUBGBKZ-ZDUSSCGKSA-N 0 0 338.367 3.337 20 10 EGCDRN CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756498861 1300507159 /nfs/dbraw/zinc/50/71/59/1300507159.db2.gz YMEQENRHJXNWEB-NXEZZACHSA-N 0 0 334.229 3.351 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000756550576 1300519927 /nfs/dbraw/zinc/51/99/27/1300519927.db2.gz IYUFSQGAZLEDAX-HIFRSBDPSA-N 0 0 341.407 3.396 20 10 EGCDRN CCc1cc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])[nH]n1 ZINC000756571949 1300524233 /nfs/dbraw/zinc/52/42/33/1300524233.db2.gz IAWAERNRRHWAOC-MRVPVSSYSA-N 0 0 342.212 3.430 20 10 EGCDRN Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])[nH]n1 ZINC000756584317 1300526944 /nfs/dbraw/zinc/52/69/44/1300526944.db2.gz FFADTWSOEFBFIP-QMMMGPOBSA-N 0 0 328.185 3.176 20 10 EGCDRN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756605726 1300530657 /nfs/dbraw/zinc/53/06/57/1300530657.db2.gz UQSOWDPDNNDEGL-GUBZILKMSA-N 0 0 334.229 3.351 20 10 EGCDRN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756643459 1300540229 /nfs/dbraw/zinc/54/02/29/1300540229.db2.gz UWXWQMYMZLKGLE-MCYDVABLSA-N 0 0 340.445 3.031 20 10 EGCDRN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756646230 1300540526 /nfs/dbraw/zinc/54/05/26/1300540526.db2.gz MLTNSJFXGVPQBF-DCAQKATOSA-N 0 0 346.240 3.496 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(C)ccc2OC)c1 ZINC000756671909 1300545674 /nfs/dbraw/zinc/54/56/74/1300545674.db2.gz LZFJPWXGSRHKBY-CYBMUJFWSA-N 0 0 329.396 3.347 20 10 EGCDRN C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756673181 1300546205 /nfs/dbraw/zinc/54/62/05/1300546205.db2.gz WQTYXLFRIDLAJK-ZJUUUORDSA-N 0 0 342.212 3.230 20 10 EGCDRN C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756703000 1300549806 /nfs/dbraw/zinc/54/98/06/1300549806.db2.gz DKLRGXBYNMPRKK-CYBMUJFWSA-N 0 0 349.431 3.038 20 10 EGCDRN Cc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cc(F)cc(F)c3[O-])C2=O)cc1 ZINC000756734744 1300556413 /nfs/dbraw/zinc/55/64/13/1300556413.db2.gz YSZPZUIGNDPSHV-PXAZEXFGSA-N 0 0 346.377 3.435 20 10 EGCDRN Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756741870 1300559015 /nfs/dbraw/zinc/55/90/15/1300559015.db2.gz XYKFRFDNKYEVEQ-MRVPVSSYSA-N 0 0 328.185 3.176 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756774249 1300564159 /nfs/dbraw/zinc/56/41/59/1300564159.db2.gz BFZQOPDNQOLUGJ-SJKOYZFVSA-N 0 0 327.384 3.138 20 10 EGCDRN C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc(F)cc(F)c1O ZINC000756831951 1300574152 /nfs/dbraw/zinc/57/41/52/1300574152.db2.gz QEDAZOWKWOTWRY-JTQLQIEISA-N 0 0 341.379 3.388 20 10 EGCDRN C[C@H]1C[C@H](Nc2ccc(N(C)CCO)cn2)c2c1c(F)ccc2O ZINC000756845147 1300575051 /nfs/dbraw/zinc/57/50/51/1300575051.db2.gz PGLAWFJZTPJHNF-FZMZJTMJSA-N 0 0 331.391 3.015 20 10 EGCDRN CNC(=O)CCOc1ccc(N[C@@H](C)c2cc(C)ccc2O)cc1 ZINC000757592191 1300689622 /nfs/dbraw/zinc/68/96/22/1300689622.db2.gz FOHLNMFYKZLCJR-AWEZNQCLSA-N 0 0 328.412 3.389 20 10 EGCDRN C[C@@H]([NH2+]CC1(CO)CCC1)c1cc(Br)c(F)cc1[O-] ZINC000757656439 1300704867 /nfs/dbraw/zinc/70/48/67/1300704867.db2.gz ISSCKBMXSRYHOV-SECBINFHSA-N 0 0 332.213 3.107 20 10 EGCDRN COc1ccc(N(C)CC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1F ZINC000757851734 1300747094 /nfs/dbraw/zinc/74/70/94/1300747094.db2.gz PJJKSWWFEIOZBJ-RHSMWYFYSA-N 0 0 334.435 3.452 20 10 EGCDRN O=C(C1=CC(=O)CS1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000757916249 1300756066 /nfs/dbraw/zinc/75/60/66/1300756066.db2.gz 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CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000840825283 1321157281 /nfs/dbraw/zinc/15/72/81/1321157281.db2.gz DOJCJNCJNCVJGG-SKDRFNHKSA-N 0 0 331.243 3.266 20 10 EGCDRN CCn1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000840839889 1321160730 /nfs/dbraw/zinc/16/07/30/1321160730.db2.gz APNSDSUUTZWOEC-VIFPVBQESA-N 0 0 342.212 3.361 20 10 EGCDRN CCn1ccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000840840551 1321160853 /nfs/dbraw/zinc/16/08/53/1321160853.db2.gz LHQORTOCYCBWCB-VIFPVBQESA-N 0 0 342.212 3.361 20 10 EGCDRN Brc1cc(CNc2nnco2)ccc1N1CCCCC1 ZINC000840883823 1321170246 /nfs/dbraw/zinc/17/02/46/1321170246.db2.gz IHBXDZVISCCLSA-UHFFFAOYSA-N 0 0 337.221 3.435 20 10 EGCDRN COCCNC(=O)c1cccc(NCc2ccc(N(C)C)cc2C)c1 ZINC000840947764 1321183932 /nfs/dbraw/zinc/18/39/32/1321183932.db2.gz FIWDQXUJTDSCQL-UHFFFAOYSA-N 0 0 341.455 3.049 20 10 EGCDRN CCOc1cccc(CN([C@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840958682 1321186472 /nfs/dbraw/zinc/18/64/72/1321186472.db2.gz RDTQHNIYSDHLKU-CYBMUJFWSA-N 0 0 335.444 3.486 20 10 EGCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])OCC1CC1 ZINC000840960032 1321187420 /nfs/dbraw/zinc/18/74/20/1321187420.db2.gz BVCRAXAWOZZFEL-UHFFFAOYSA-N 0 0 328.796 3.249 20 10 EGCDRN CO[C@](C)([C@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000840960094 1321187530 /nfs/dbraw/zinc/18/75/30/1321187530.db2.gz ACWVYUYWMJTXEO-BJOHPYRUSA-N 0 0 328.796 3.247 20 10 EGCDRN Cc1cc(Br)c(O)c(CN[C@H](C)c2csnn2)c1 ZINC000840970265 1321190616 /nfs/dbraw/zinc/19/06/16/1321190616.db2.gz QLCYAUZHILDIFP-MRVPVSSYSA-N 0 0 328.235 3.165 20 10 EGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000840979480 1321193101 /nfs/dbraw/zinc/19/31/01/1321193101.db2.gz SDXFNQSAVYAJHS-VXGBXAGGSA-N 0 0 328.250 3.056 20 10 EGCDRN COc1cc(Cl)cc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c1O ZINC000840998611 1321196094 /nfs/dbraw/zinc/19/60/94/1321196094.db2.gz KDYHDZITKJFWAA-LBPRGKRZSA-N 0 0 329.824 3.423 20 10 EGCDRN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841057568 1321211048 /nfs/dbraw/zinc/21/10/48/1321211048.db2.gz AACUYXYMXVSNGP-AWEZNQCLSA-N 0 0 339.439 3.080 20 10 EGCDRN Cc1ccc(C)c([C@H]2CCCN2C(=O)C(=O)Nc2ccc(N)cc2)c1 ZINC000841073051 1321214047 /nfs/dbraw/zinc/21/40/47/1321214047.db2.gz PJSQPPDMRPTZOX-GOSISDBHSA-N 0 0 337.423 3.188 20 10 EGCDRN C[C@H]1C[C@H](CCNC(=O)C(=O)Nc2ccc(N)cc2)CC(C)(C)C1 ZINC000841122151 1321221960 /nfs/dbraw/zinc/22/19/60/1321221960.db2.gz XXJPUSJSWBKBNY-KBPBESRZSA-N 0 0 331.460 3.176 20 10 EGCDRN CC(C)(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000841122079 1321222094 /nfs/dbraw/zinc/22/20/94/1321222094.db2.gz UZGPYFDOBMPPIZ-MRXNPFEDSA-N 0 0 337.423 3.384 20 10 EGCDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841136945 1321224470 /nfs/dbraw/zinc/22/44/70/1321224470.db2.gz ZDJWSYSXJSACMS-LBTNJELSSA-N 0 0 337.423 3.000 20 10 EGCDRN CCCCOc1ccc(NC(=O)NCCc2ccc(N)cc2)cn1 ZINC000841198390 1321232781 /nfs/dbraw/zinc/23/27/81/1321232781.db2.gz SRGOACCVOHYLNR-UHFFFAOYSA-N 0 0 328.416 3.207 20 10 EGCDRN CC1(c2cc(NC(=O)NCCc3ccc(N)cc3)no2)CCCC1 ZINC000841220648 1321235444 /nfs/dbraw/zinc/23/54/44/1321235444.db2.gz RFCUUXABBJORJG-UHFFFAOYSA-N 0 0 328.416 3.453 20 10 EGCDRN C[C@@H](O)[C@@](C)(CNC(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000841296432 1321248169 /nfs/dbraw/zinc/24/81/69/1321248169.db2.gz FEZBZBLIKOPQHN-AUUYWEPGSA-N 0 0 327.428 3.020 20 10 EGCDRN COc1ccccc1OC[C@H](C)CNC(=O)Nc1ccc(N)cc1 ZINC000841297138 1321248673 /nfs/dbraw/zinc/24/86/73/1321248673.db2.gz AQCZNFJXRXWKEN-CYBMUJFWSA-N 0 0 329.400 3.114 20 10 EGCDRN Nc1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000841299221 1321249077 /nfs/dbraw/zinc/24/90/77/1321249077.db2.gz HYWPXXDGPDXSHD-QRVBRYPASA-N 0 0 337.423 3.305 20 10 EGCDRN Nc1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000841299215 1321249136 /nfs/dbraw/zinc/24/91/36/1321249136.db2.gz HYWPXXDGPDXSHD-GUDVDZBRSA-N 0 0 337.423 3.305 20 10 EGCDRN COc1cc(C)c([C@H](C)NC(=O)Nc2ccc(N)cc2)cc1OC ZINC000841299410 1321249220 /nfs/dbraw/zinc/24/92/20/1321249220.db2.gz CIFOZIAFQYFFCQ-LBPRGKRZSA-N 0 0 329.400 3.477 20 10 EGCDRN CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc(N)cc1 ZINC000841301352 1321249994 /nfs/dbraw/zinc/24/99/94/1321249994.db2.gz LZTUCEZHJGUSQO-UHFFFAOYSA-N 0 0 329.400 3.340 20 10 EGCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841582302 1321285013 /nfs/dbraw/zinc/28/50/13/1321285013.db2.gz PGSWQEYOXVQAGP-OWCLPIDISA-N 0 0 347.528 3.426 20 10 EGCDRN CCc1nnc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000841595055 1321286108 /nfs/dbraw/zinc/28/61/08/1321286108.db2.gz GVRHPSMEJGIEAH-LBPRGKRZSA-N 0 0 347.488 3.228 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1[O-] ZINC000841748545 1321306284 /nfs/dbraw/zinc/30/62/84/1321306284.db2.gz LGEUDRVKQGVSCU-WCFLWFBJSA-N 0 0 331.865 3.052 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1[O-] ZINC000841748541 1321306670 /nfs/dbraw/zinc/30/66/70/1321306670.db2.gz LGEUDRVKQGVSCU-DRZSPHRISA-N 0 0 331.865 3.052 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000841763389 1321309103 /nfs/dbraw/zinc/30/91/03/1321309103.db2.gz WZULBDMIIMDQCQ-CJNGLKHVSA-N 0 0 335.444 3.161 20 10 EGCDRN Cc1[nH]c2ccccc2c1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841783355 1321311848 /nfs/dbraw/zinc/31/18/48/1321311848.db2.gz USZIFDDEXUAZAU-UHFFFAOYSA-N 0 0 336.439 3.143 20 10 EGCDRN CCOCc1cc(C[NH2+][C@@H]2CCCC[C@]2(C)C(=O)[O-])ccc1OC ZINC000841803195 1321315110 /nfs/dbraw/zinc/31/51/10/1321315110.db2.gz FHTBGFCSPZAUMM-MJGOQNOKSA-N 0 0 335.444 3.355 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000841962408 1321332771 /nfs/dbraw/zinc/33/27/71/1321332771.db2.gz OWIBJLAZKMYSLD-UHFFFAOYSA-N 0 0 337.423 3.016 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)CN(C2CCCC2)C1=O ZINC000842264331 1321367021 /nfs/dbraw/zinc/36/70/21/1321367021.db2.gz IBLJFKVSAZYNAS-OAHLLOKOSA-N 0 0 343.471 3.199 20 10 EGCDRN CC(C)Cn1c([C@@H]2CCO[C@H]2C)nnc1N(C)Cc1ccccc1O ZINC000843030532 1321459210 /nfs/dbraw/zinc/45/92/10/1321459210.db2.gz KOPWXGQPGJKXNH-GOEBONIOSA-N 0 0 344.459 3.169 20 10 EGCDRN CC(C)(C)c1noc(CCCc2nc(Cc3ccc(N)cc3)no2)n1 ZINC000843160947 1321481170 /nfs/dbraw/zinc/48/11/70/1321481170.db2.gz LUSPHNRDHSBGLX-UHFFFAOYSA-N 0 0 341.415 3.098 20 10 EGCDRN Nc1ccc(Cc2nc(C3(NC(=O)c4ccccc4)CCC3)no2)cc1 ZINC000843231260 1321492060 /nfs/dbraw/zinc/49/20/60/1321492060.db2.gz YLBLUIGXJVSRAR-UHFFFAOYSA-N 0 0 348.406 3.052 20 10 EGCDRN Cc1cc2ncn(CCc3noc(Cc4ccc(N)cc4)n3)c2cc1C ZINC000843242133 1321495892 /nfs/dbraw/zinc/49/58/92/1321495892.db2.gz XHKBIPNVWYDZMG-UHFFFAOYSA-N 0 0 347.422 3.452 20 10 EGCDRN O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843429472 1321517602 /nfs/dbraw/zinc/51/76/02/1321517602.db2.gz WSYBMYQHGXOOSB-MRXNPFEDSA-N 0 0 344.842 3.184 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)/C=C\C3CCCC3)CC2)cc1 ZINC000843532994 1321526387 /nfs/dbraw/zinc/52/63/87/1321526387.db2.gz 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1390976932 /nfs/dbraw/zinc/97/69/32/1390976932.db2.gz YYLLNFQRVVJBPO-CJNGLKHVSA-N 0 0 327.403 3.496 20 10 EGCDRN Cc1cc(C(=O)N2CC([C@H](C)O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001347953384 1391150537 /nfs/dbraw/zinc/15/05/37/1391150537.db2.gz MUFOSRUQQHALKC-INIZCTEOSA-N 0 0 326.440 3.164 20 10 EGCDRN O=C([O-])C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC001352140945 1391763875 /nfs/dbraw/zinc/76/38/75/1391763875.db2.gz FZHYXYQJNDDLRK-CYBMUJFWSA-N 0 0 331.334 3.145 20 10 EGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC(OC2CCC2)CC1 ZINC001352322161 1391783978 /nfs/dbraw/zinc/78/39/78/1391783978.db2.gz QRXZLZIIGQPUND-UHFFFAOYSA-N 0 0 348.472 3.270 20 10 EGCDRN CC[N@H+](Cc1cccc(C)c1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435181 1425915298 /nfs/dbraw/zinc/91/52/98/1425915298.db2.gz OLWFUEWSEFMLEA-AWEZNQCLSA-N 0 0 337.427 3.464 20 10 EGCDRN Cc1ccnc(NCc2ccc(N3CCCCC3)cc2)c1-c1nn[nH]n1 ZINC000826313986 947915602 /nfs/dbraw/zinc/91/56/02/947915602.db2.gz ARKUEUGBAGNCIF-UHFFFAOYSA-N 0 0 349.442 3.173 20 10 EGCDRN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000902006521 980683826 /nfs/dbraw/zinc/68/38/26/980683826.db2.gz GKZRMBKYMHQJMJ-UHOSZYNNSA-N 0 0 328.456 3.362 20 10 EGCDRN O=C([O-])c1cnc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)s1 ZINC000905739278 981132419 /nfs/dbraw/zinc/13/24/19/981132419.db2.gz SMDUPGABXGINQI-UHFFFAOYSA-N 0 0 345.468 3.164 20 10 EGCDRN CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)[nH]1 ZINC001595015302 982960840 /nfs/dbraw/zinc/96/08/40/982960840.db2.gz HWCRWQAGBWDWIC-GARJFASQSA-N 0 0 332.404 3.134 20 10 EGCDRN CN(C)c1ccc(CNc2nc3c(cccc3C(=O)[O-])[nH]2)cc1F ZINC001598320770 991319674 /nfs/dbraw/zinc/31/96/74/991319674.db2.gz RPKNMNNGEPDTTL-UHFFFAOYSA-N 0 0 328.347 3.078 20 10 EGCDRN COc1ccc(N2CCC([NH2+][C@H](C)c3cc(C(=O)[O-])co3)CC2)cc1 ZINC001599586332 993618267 /nfs/dbraw/zinc/61/82/67/993618267.db2.gz NFLAHXUMGNJPAH-CYBMUJFWSA-N 0 0 344.411 3.306 20 10 EGCDRN C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001593257572 994531342 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O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccco1 ZINC000158062984 455264969 /nfs/dbraw/zinc/26/49/69/455264969.db2.gz AFLNWTSFORRUJB-AWEZNQCLSA-N 0 0 334.803 3.033 20 10 EGCDRN CN(C)c1ccc(CN(C)c2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000008374609 453199131 /nfs/dbraw/zinc/19/91/31/453199131.db2.gz RICCZQBIMRTWEH-UHFFFAOYSA-N 0 0 331.401 3.006 20 10 EGCDRN COc1cccc(SCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000027662060 453819827 /nfs/dbraw/zinc/81/98/27/453819827.db2.gz OZSXLZOVGCOZJY-UHFFFAOYSA-N 0 0 330.453 3.170 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1OC ZINC000052851346 453847180 /nfs/dbraw/zinc/84/71/80/453847180.db2.gz GKJSBWSVEYFATC-UHFFFAOYSA-N 0 0 326.440 3.352 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccccn2)cc1F ZINC000066975545 453891879 /nfs/dbraw/zinc/89/18/79/453891879.db2.gz ZFWPIZXUHKMINR-UHFFFAOYSA-N 0 0 330.407 3.066 20 10 EGCDRN CC(C)C(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000053916078 453900709 /nfs/dbraw/zinc/90/07/09/453900709.db2.gz NHKKNRZACWHUKO-UHFFFAOYSA-N 0 0 326.396 3.259 20 10 EGCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC1 ZINC000075535324 453902306 /nfs/dbraw/zinc/90/23/06/453902306.db2.gz HZWLQQRBMOHZMJ-ZDUSSCGKSA-N 0 0 339.386 3.062 20 10 EGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1sccc1C1CC1 ZINC000067232366 453913503 /nfs/dbraw/zinc/91/35/03/453913503.db2.gz NVRWFXIWPIMFKV-UHFFFAOYSA-N 0 0 342.464 3.392 20 10 EGCDRN CN(CC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786018 453948028 /nfs/dbraw/zinc/94/80/28/453948028.db2.gz GVLCEGHDXINURH-UHFFFAOYSA-N 0 0 345.487 3.245 20 10 EGCDRN CCc1nc(CC(=O)NCc2ccc(N3CCCC3)cc2)cs1 ZINC000055248458 453972179 /nfs/dbraw/zinc/97/21/79/453972179.db2.gz VNWBVPRKYJLDHJ-UHFFFAOYSA-N 0 0 329.469 3.165 20 10 EGCDRN Cc1ccc(N(C)S(=O)(=O)c2cccc3nsnc32)c(C)c1 ZINC000055667925 454004638 /nfs/dbraw/zinc/00/46/38/454004638.db2.gz XTZJIYZFVIHMJB-UHFFFAOYSA-N 0 0 333.438 3.133 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1F ZINC000084814372 454011796 /nfs/dbraw/zinc/01/17/96/454011796.db2.gz DAKLBIZUWJRYOS-UHFFFAOYSA-N 0 0 328.387 3.105 20 10 EGCDRN COc1ccc(N2CCN(C(=O)CCc3ccsc3)CC2)cc1F ZINC000084815065 454012055 /nfs/dbraw/zinc/01/20/55/454012055.db2.gz SFLBPSBGXQHGEJ-UHFFFAOYSA-N 0 0 348.443 3.177 20 10 EGCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1F ZINC000084854319 454012951 /nfs/dbraw/zinc/01/29/51/454012951.db2.gz XIURHDCMVGILHL-UHFFFAOYSA-N 0 0 343.402 3.497 20 10 EGCDRN Cc1cc(C(=O)N2CC[S@@](=O)[C@@H](C)[C@@H]2C)c(C)n1-c1ccccc1 ZINC000076659928 454023680 /nfs/dbraw/zinc/02/36/80/454023680.db2.gz FKHLVRHTOAHVGO-ZYXJOJAPSA-N 0 0 344.480 3.076 20 10 EGCDRN O=C(Cc1ccc(F)c(F)c1)NCc1ccc(N2CCCC2)cc1 ZINC000087103581 454062701 /nfs/dbraw/zinc/06/27/01/454062701.db2.gz SHKHYESEKPASED-UHFFFAOYSA-N 0 0 330.378 3.424 20 10 EGCDRN CCc1ncnc(NCc2ccc(N3CCSCC3)cc2)c1F ZINC000089280130 454133174 /nfs/dbraw/zinc/13/31/74/454133174.db2.gz QURFSGVOFYAELU-UHFFFAOYSA-N 0 0 332.448 3.343 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)NCCCOc1ccc(F)cc1 ZINC000057634917 454138875 /nfs/dbraw/zinc/13/88/75/454138875.db2.gz NEFLKSMAGLDNDS-UHFFFAOYSA-N 0 0 332.375 3.142 20 10 EGCDRN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccccc1 ZINC000070976794 454191097 /nfs/dbraw/zinc/19/10/97/454191097.db2.gz VOTDCSZXYIAQIY-SFHVURJKSA-N 0 0 340.423 3.012 20 10 EGCDRN Cc1cc(C(=O)COC(=O)C2(O)CCCC2)c(C)n1-c1ccccc1 ZINC000058502134 454209822 /nfs/dbraw/zinc/20/98/22/454209822.db2.gz WKDRVBCZRQXQBZ-UHFFFAOYSA-N 0 0 341.407 3.125 20 10 EGCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2cccn2C)c1O ZINC000131740780 454280641 /nfs/dbraw/zinc/28/06/41/454280641.db2.gz JTLBWDGQBUYDNB-QGZVFWFLSA-N 0 0 348.830 3.160 20 10 EGCDRN COc1ccc(N(C)Cc2nc([C@H](C)OCC(C)C)no2)c(OC)c1 ZINC000131799347 454287210 /nfs/dbraw/zinc/28/72/10/454287210.db2.gz LSNZABVSWYYGJM-ZDUSSCGKSA-N 0 0 349.431 3.457 20 10 EGCDRN CCOc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1O ZINC000072861583 454352866 /nfs/dbraw/zinc/35/28/66/454352866.db2.gz SJSXEKUYZWYIJP-KAMYIIQDSA-N 0 0 332.425 3.247 20 10 EGCDRN O=C(CC1CCCCC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047293705 454354144 /nfs/dbraw/zinc/35/41/44/454354144.db2.gz OIMBZVHZESAHLK-UHFFFAOYSA-N 0 0 348.462 3.373 20 10 EGCDRN O=C(CCC1CCCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000079606529 454448857 /nfs/dbraw/zinc/44/88/57/454448857.db2.gz OPACBRCTQXLZTK-UHFFFAOYSA-N 0 0 344.499 3.482 20 10 EGCDRN COc1ccc(N(C)CC(=O)Nc2ccnn2C2CCCC2)cc1F ZINC000121747083 454472047 /nfs/dbraw/zinc/47/20/47/454472047.db2.gz YADGYDCJSPUSEN-UHFFFAOYSA-N 0 0 346.406 3.221 20 10 EGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2cc(C)ccc2OC)c1O ZINC000266746840 455447696 /nfs/dbraw/zinc/44/76/96/455447696.db2.gz ZIMRSLGGTFRHTR-ZDUSSCGKSA-N 0 0 344.411 3.278 20 10 EGCDRN Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1F ZINC000103242290 454545530 /nfs/dbraw/zinc/54/55/30/454545530.db2.gz YWBJOJRQYAPIKD-UHFFFAOYSA-N 0 0 343.402 3.292 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCSC1 ZINC000074821476 454640407 /nfs/dbraw/zinc/64/04/07/454640407.db2.gz ICXKUVCGJNRWDR-INIZCTEOSA-N 0 0 333.501 3.324 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(C(=O)OC)c1 ZINC000066096290 454656923 /nfs/dbraw/zinc/65/69/23/454656923.db2.gz ZMIVDOLNSCLOSS-UHFFFAOYSA-N 0 0 327.380 3.231 20 10 EGCDRN O=[N+]([O-])c1cc(F)ccc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000052456970 454674729 /nfs/dbraw/zinc/67/47/29/454674729.db2.gz WPRDITYNPVBYLP-UHFFFAOYSA-N 0 0 349.337 3.322 20 10 EGCDRN C/C=C(\C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000176311830 454728335 /nfs/dbraw/zinc/72/83/35/454728335.db2.gz OHFWRSDDMAPZCR-KGVSQERTSA-N 0 0 342.361 3.124 20 10 EGCDRN COCCOc1ccccc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000176676021 454770632 /nfs/dbraw/zinc/77/06/32/454770632.db2.gz XLZDLQZRPCXDAD-SSZFMOIBSA-N 0 0 346.452 3.168 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C)c1F ZINC000125885205 454854163 /nfs/dbraw/zinc/85/41/63/454854163.db2.gz PGBLTUZVFDQBFR-UHFFFAOYSA-N 0 0 344.386 3.217 20 10 EGCDRN O=C(Cc1c[nH]c2ncccc12)NCc1c(O)ccc2c1CCCC2 ZINC000154039151 454859272 /nfs/dbraw/zinc/85/92/72/454859272.db2.gz RVFUIDAJXCJWCP-UHFFFAOYSA-N 0 0 335.407 3.006 20 10 EGCDRN O=C(Cc1cccs1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000154126187 454867432 /nfs/dbraw/zinc/86/74/32/454867432.db2.gz ZKAPYYHMCZEXFW-OAHLLOKOSA-N 0 0 331.437 3.204 20 10 EGCDRN COc1cccc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2O)c1 ZINC000177666241 454889904 /nfs/dbraw/zinc/88/99/04/454889904.db2.gz JDLHZLGYTQBPDG-MRXNPFEDSA-N 0 0 327.380 3.392 20 10 EGCDRN Cc1ccc(C(=O)N2CCC(COc3ccccc3)CC2)c(O)c1O ZINC000177675779 454890641 /nfs/dbraw/zinc/89/06/41/454890641.db2.gz UCRYQLWLKYXGDK-UHFFFAOYSA-N 0 0 341.407 3.337 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)c(C)n1-c1ccccn1 ZINC000126581818 454903548 /nfs/dbraw/zinc/90/35/48/454903548.db2.gz ASGBNUDQHIVHMQ-KBAYOESNSA-N 0 0 339.439 3.177 20 10 EGCDRN COc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1O ZINC000113423344 454926642 /nfs/dbraw/zinc/92/66/42/454926642.db2.gz XQEROUWXYRDWPM-KBPBESRZSA-N 0 0 333.334 3.099 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c(C)n1-c1ccccn1 ZINC000170681102 454955119 /nfs/dbraw/zinc/95/51/19/454955119.db2.gz GOYQUQRPHQOOOW-INIZCTEOSA-N 0 0 349.438 3.232 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)COc1cccc(OC)c1 ZINC000170731787 454965063 /nfs/dbraw/zinc/96/50/63/454965063.db2.gz UJWRGPAOMNZSEM-UHFFFAOYSA-N 0 0 329.396 3.218 20 10 EGCDRN CN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000114954371 454988732 /nfs/dbraw/zinc/98/87/32/454988732.db2.gz YOOTZTZMUCPCNK-UHFFFAOYSA-N 0 0 339.386 3.061 20 10 EGCDRN Cc1c(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)cnn1C ZINC000179068881 455004703 /nfs/dbraw/zinc/00/47/03/455004703.db2.gz OEZHUUXUPKHKJH-VAWYXSNFSA-N 0 0 332.407 3.370 20 10 EGCDRN COCc1cccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000179222710 455021658 /nfs/dbraw/zinc/02/16/58/455021658.db2.gz QUXSYCLIKBFTMW-UHFFFAOYSA-N 0 0 331.412 3.495 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c(C)n1-c1cccc(Cl)c1 ZINC000151790974 455030876 /nfs/dbraw/zinc/03/08/76/455030876.db2.gz CEVBZOAKJQTQJG-GOEBONIOSA-N 0 0 344.842 3.414 20 10 EGCDRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179497065 455052642 /nfs/dbraw/zinc/05/26/42/455052642.db2.gz JWOGCLQOPOXPOI-AWEZNQCLSA-N 0 0 340.471 3.437 20 10 EGCDRN CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000179681910 455067157 /nfs/dbraw/zinc/06/71/57/455067157.db2.gz BFBZJKGFSCRHMJ-INIZCTEOSA-N 0 0 333.501 3.346 20 10 EGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000179907895 455097696 /nfs/dbraw/zinc/09/76/96/455097696.db2.gz RVBYVRXHYBDMRR-HNNXBMFYSA-N 0 0 325.836 3.206 20 10 EGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1nc2c(s1)CCCCC2 ZINC000172043580 455113095 /nfs/dbraw/zinc/11/30/95/455113095.db2.gz BHVXSJRJIISVOO-UHFFFAOYSA-N 0 0 347.440 3.187 20 10 EGCDRN CC[C@@H]1C[C@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)CCO1 ZINC000180123834 455135345 /nfs/dbraw/zinc/13/53/45/455135345.db2.gz UATWILYLMYWGSO-HZPDHXFCSA-N 0 0 336.451 3.493 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)c2ccsc2)cc1 ZINC000172376501 455150070 /nfs/dbraw/zinc/15/00/70/455150070.db2.gz BFGGOJNJNQZPKA-QGZVFWFLSA-N 0 0 347.484 3.127 20 10 EGCDRN C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180249180 455151661 /nfs/dbraw/zinc/15/16/61/455151661.db2.gz SQGCZJGSRRGGSP-CQSZACIVSA-N 0 0 331.847 3.319 20 10 EGCDRN CCc1ccc([C@H]2COCCN2Cc2cc(OC)c(OC)cc2O)o1 ZINC000180289470 455155281 /nfs/dbraw/zinc/15/52/81/455155281.db2.gz KHZSBHAUSJWOQM-OAHLLOKOSA-N 0 0 347.411 3.138 20 10 EGCDRN CCCC(=O)N1CCC[C@H](C(=O)N(CCC)Cc2ccccc2O)C1 ZINC000264058488 455188399 /nfs/dbraw/zinc/18/83/99/455188399.db2.gz IQZUTAYQUVHFAY-KRWDZBQOSA-N 0 0 346.471 3.170 20 10 EGCDRN CCCN(CCC)C(=O)CCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000264168035 455193317 /nfs/dbraw/zinc/19/33/17/455193317.db2.gz LFSRRVHEPFPEHV-UHFFFAOYSA-N 0 0 347.503 3.188 20 10 EGCDRN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180609763 455207886 /nfs/dbraw/zinc/20/78/86/455207886.db2.gz MREKNBGMJIYOFL-OPGUWZMBSA-N 0 0 339.391 3.483 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCC1CC1 ZINC000183439475 455292846 /nfs/dbraw/zinc/29/28/46/455292846.db2.gz MOQSSLXIXLCETF-CYBMUJFWSA-N 0 0 341.407 3.248 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)c1nncn1C ZINC000264901391 455297487 /nfs/dbraw/zinc/29/74/87/455297487.db2.gz FMJPCHKKMQFGBA-OAHLLOKOSA-N 0 0 337.427 3.022 20 10 EGCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](c2ccsc2)O1 ZINC000181195428 455301086 /nfs/dbraw/zinc/30/10/86/455301086.db2.gz FTSUXWQPBQDVSX-CZJXZMRKSA-N 0 0 345.420 3.161 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccc(F)cc1F ZINC000158875483 455334689 /nfs/dbraw/zinc/33/46/89/455334689.db2.gz FVUQOONGDNMXJP-UHFFFAOYSA-N 0 0 346.377 3.389 20 10 EGCDRN CCc1nnc(CN(Cc2ccco2)c2ccc(OC)c(F)c2)[nH]1 ZINC000181763726 455380003 /nfs/dbraw/zinc/38/00/03/455380003.db2.gz ZFZSZZCHOTYLLC-UHFFFAOYSA-N 0 0 330.363 3.315 20 10 EGCDRN C[C@](O)(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000181961586 455404871 /nfs/dbraw/zinc/40/48/71/455404871.db2.gz OCQUDMJMGHFZIU-NRFANRHFSA-N 0 0 338.451 3.201 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000191021088 455426452 /nfs/dbraw/zinc/42/64/52/455426452.db2.gz YUOZYYURCHVJDJ-HNNXBMFYSA-N 0 0 330.359 3.197 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCCO1 ZINC000266682864 455436557 /nfs/dbraw/zinc/43/65/57/455436557.db2.gz CXRPEMXGLRPAKQ-GOSISDBHSA-N 0 0 333.476 3.242 20 10 EGCDRN COc1ccc(C[C@H](C)C(=O)N(C)Cc2ccccc2O)cc1OC ZINC000182157569 455448799 /nfs/dbraw/zinc/44/87/99/455448799.db2.gz GJMXWBSBBGIDLE-AWEZNQCLSA-N 0 0 343.423 3.247 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCc2c1cccc2O ZINC000266807159 455455868 /nfs/dbraw/zinc/45/58/68/455455868.db2.gz NXXYXBLLRUWVMZ-LJQANCHMSA-N 0 0 349.434 3.255 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)COC(C)(C)C ZINC000182203052 455459711 /nfs/dbraw/zinc/45/97/11/455459711.db2.gz MZFCPQBIIQLIBZ-UHFFFAOYSA-N 0 0 344.249 3.318 20 10 EGCDRN Cc1ccc(OC2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC000182461706 455517940 /nfs/dbraw/zinc/51/79/40/455517940.db2.gz FFERPCWNUBQGEQ-UHFFFAOYSA-N 0 0 341.407 3.398 20 10 EGCDRN C[C@@H](CN(C)C(=O)NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000182474339 455521521 /nfs/dbraw/zinc/52/15/21/455521521.db2.gz KUHDPXDQSGGSSP-ZDUSSCGKSA-N 0 0 332.473 3.154 20 10 EGCDRN CCOC[C@H]1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000175978653 455523948 /nfs/dbraw/zinc/52/39/48/455523948.db2.gz CAKWLEWVNONJSY-KRWDZBQOSA-N 0 0 333.476 3.101 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161101191 455534187 /nfs/dbraw/zinc/53/41/87/455534187.db2.gz SAZMYUVAGQSEDE-SZMVWBNQSA-N 0 0 344.455 3.271 20 10 EGCDRN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])CC2 ZINC000185318252 455538810 /nfs/dbraw/zinc/53/88/10/455538810.db2.gz DCDBEOKASFFQDB-SCZZXKLOSA-N 0 0 341.242 3.265 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cc2F)C[C@H](C)O1 ZINC000267370755 455548622 /nfs/dbraw/zinc/54/86/22/455548622.db2.gz ROPOPCLUDRZQFZ-XLAFVOAESA-N 0 0 346.446 3.102 20 10 EGCDRN Cc1cnc([C@@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000267514809 455552027 /nfs/dbraw/zinc/55/20/27/455552027.db2.gz FZELHJHGZGAOMA-CYBMUJFWSA-N 0 0 344.484 3.394 20 10 EGCDRN Cc1nc(C)c(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 ZINC000267595761 455552651 /nfs/dbraw/zinc/55/26/51/455552651.db2.gz WAEUHMZUDDSMGZ-VMPITWQZSA-N 0 0 343.452 3.248 20 10 EGCDRN CN1CCCc2cc(CNC(=O)c3cc(O)ccc3Cl)ccc21 ZINC000277693957 455637088 /nfs/dbraw/zinc/63/70/88/455637088.db2.gz NXIQJJYUUATWRZ-UHFFFAOYSA-N 0 0 330.815 3.358 20 10 EGCDRN C[C@@H](O)C[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000268320632 455649592 /nfs/dbraw/zinc/64/95/92/455649592.db2.gz JUUYTSRIQUTWGD-QAPCUYQASA-N 0 0 342.439 3.088 20 10 EGCDRN C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192629225 455657240 /nfs/dbraw/zinc/65/72/40/455657240.db2.gz IAOHUYQIIMJFGG-SECBINFHSA-N 0 0 343.210 3.373 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000271606717 455698199 /nfs/dbraw/zinc/69/81/99/455698199.db2.gz VFGRNJFKDXSAIK-NVXWUHKLSA-N 0 0 333.476 3.099 20 10 EGCDRN CN(C)c1ccc(CNC(=O)C2(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000292648863 455721558 /nfs/dbraw/zinc/72/15/58/455721558.db2.gz CFUBNTPBYLXSKC-UHFFFAOYSA-N 0 0 337.467 3.167 20 10 EGCDRN C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193038747 455737176 /nfs/dbraw/zinc/73/71/76/455737176.db2.gz IQROZDJTKYGYHY-JTQLQIEISA-N 0 0 334.243 3.139 20 10 EGCDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc(O)c1O ZINC000193064091 455740622 /nfs/dbraw/zinc/74/06/22/455740622.db2.gz QKKLGWHEXJFOIV-BDJLRTHQSA-N 0 0 347.798 3.353 20 10 EGCDRN Cc1cc(C(=O)N[C@H]2CCOC3(CCC3)C2)c(C)n1-c1ccccn1 ZINC000269009082 455762634 /nfs/dbraw/zinc/76/26/34/455762634.db2.gz AUZDYHYEJLCFHD-INIZCTEOSA-N 0 0 339.439 3.321 20 10 EGCDRN CC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278165957 455775625 /nfs/dbraw/zinc/77/56/25/455775625.db2.gz FDIHKBMJUBFNNA-UHFFFAOYSA-N 0 0 336.413 3.435 20 10 EGCDRN CN1CCCc2cc(CNc3ccc4nnc(C(F)F)n4n3)ccc21 ZINC000269068011 455781488 /nfs/dbraw/zinc/78/14/88/455781488.db2.gz XWZSCHRRLVGQNY-UHFFFAOYSA-N 0 0 344.369 3.056 20 10 EGCDRN COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000193871672 455783896 /nfs/dbraw/zinc/78/38/96/455783896.db2.gz XKKPLWIUZGSQBE-JFGNBEQYSA-N 0 0 342.233 3.147 20 10 EGCDRN CC(C)c1cccc(O[C@H](C)C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000269174231 455804205 /nfs/dbraw/zinc/80/42/05/455804205.db2.gz GNCSUBMLFFDWLB-CQSZACIVSA-N 0 0 343.423 3.347 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294224663 455808550 /nfs/dbraw/zinc/80/85/50/455808550.db2.gz BIDLRBIVQBHDQE-UHFFFAOYSA-N 0 0 347.459 3.471 20 10 EGCDRN Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)c1c(F)cccc1F ZINC000194226700 455818013 /nfs/dbraw/zinc/81/80/13/455818013.db2.gz IVXIYKSWFUKGLS-BQYQJAHWSA-N 0 0 325.746 3.336 20 10 EGCDRN CCCOc1ccc(CN2CC(C)(C)[C@@H]2c2nccn2C)c(O)c1 ZINC000294723726 455825034 /nfs/dbraw/zinc/82/50/34/455825034.db2.gz FQSNNGYVZUFHLM-KRWDZBQOSA-N 0 0 329.444 3.498 20 10 EGCDRN Cc1cc(CN2CCN([C@H](C)c3nccs3)CC2)ccc1N(C)C ZINC000294727592 455825447 /nfs/dbraw/zinc/82/54/47/455825447.db2.gz VZVMRQULCKTDNT-MRXNPFEDSA-N 0 0 344.528 3.396 20 10 EGCDRN COc1cc(Cl)cc(CN2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000294811705 455828595 /nfs/dbraw/zinc/82/85/95/455828595.db2.gz NWEXJWNRUAQNCY-OAHLLOKOSA-N 0 0 335.835 3.371 20 10 EGCDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1c(F)ccc(O)c1[O-] ZINC000294910713 455832099 /nfs/dbraw/zinc/83/20/99/455832099.db2.gz SGJGVDPYFAVGBC-CYBMUJFWSA-N 0 0 347.342 3.047 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](O)CC3)c2C)cc1 ZINC000294950492 455833061 /nfs/dbraw/zinc/83/30/61/455833061.db2.gz SAZMOFTWHYPKRM-KRWDZBQOSA-N 0 0 342.439 3.090 20 10 EGCDRN COc1ccc(N(Cc2ccco2)C[C@@H]2CCNC(=O)CC2)cc1F ZINC000295015740 455835861 /nfs/dbraw/zinc/83/58/61/455835861.db2.gz UHDIOKUEQVSHRY-AWEZNQCLSA-N 0 0 346.402 3.350 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278478615 455837841 /nfs/dbraw/zinc/83/78/41/455837841.db2.gz ITYZNOKZLRVJDL-VXGBXAGGSA-N 0 0 326.418 3.073 20 10 EGCDRN CNc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000278623818 455842505 /nfs/dbraw/zinc/84/25/05/455842505.db2.gz MSMFYLLUNFDORI-UHFFFAOYSA-N 0 0 338.455 3.386 20 10 EGCDRN O=[N+]([O-])c1cc(F)c(NCc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000269649066 455852010 /nfs/dbraw/zinc/85/20/10/455852010.db2.gz PZJTXTIEFDDTDS-UHFFFAOYSA-N 0 0 349.337 3.322 20 10 EGCDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(O)c2O)c1 ZINC000186955835 455855956 /nfs/dbraw/zinc/85/59/56/455855956.db2.gz XDRJHSOXEQTZBD-LBPRGKRZSA-N 0 0 342.395 3.012 20 10 EGCDRN COC(=O)[C@@H]1CCN(C(=O)/C=C\c2cnc(C)s2)c2ccccc21 ZINC000255103993 455860153 /nfs/dbraw/zinc/86/01/53/455860153.db2.gz ZAHJUSDCYDPDCB-ZPIQOJFGSA-N 0 0 342.420 3.158 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)CCCCCO)c2C)cc1 ZINC000279547832 455866801 /nfs/dbraw/zinc/86/68/01/455866801.db2.gz OTRCAZALDJITBU-UHFFFAOYSA-N 0 0 344.455 3.337 20 10 EGCDRN COC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc21 ZINC000255863376 455874008 /nfs/dbraw/zinc/87/40/08/455874008.db2.gz QADJDPJSPIGOLM-IUCKJTJTSA-N 0 0 342.782 3.052 20 10 EGCDRN C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1c[nH]c2ccccc21 ZINC000279876765 455875523 /nfs/dbraw/zinc/87/55/23/455875523.db2.gz NLUPZLCEGCEGTE-ZDUSSCGKSA-N 0 0 338.407 3.432 20 10 EGCDRN COC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000296208497 455880292 /nfs/dbraw/zinc/88/02/92/455880292.db2.gz DZFQUCLHFFMCGP-UHFFFAOYSA-N 0 0 331.460 3.045 20 10 EGCDRN CCc1[nH]ccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000285633492 455885537 /nfs/dbraw/zinc/88/55/37/455885537.db2.gz AXZPLXVFCFHONF-HNNXBMFYSA-N 0 0 328.412 3.104 20 10 EGCDRN Cc1c(CCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cnn1C ZINC000270230011 455907944 /nfs/dbraw/zinc/90/79/44/455907944.db2.gz AGIOLNNLXJHFCV-UHFFFAOYSA-N 0 0 342.487 3.164 20 10 EGCDRN CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000187636739 455932237 /nfs/dbraw/zinc/93/22/37/455932237.db2.gz MYISZZPPAKXEEE-KRWDZBQOSA-N 0 0 325.836 3.233 20 10 EGCDRN C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187662412 455936202 /nfs/dbraw/zinc/93/62/02/455936202.db2.gz QONRLXYCENBIBQ-GDBMZVCRSA-N 0 0 348.462 3.229 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1[O-] ZINC000187717600 455943071 /nfs/dbraw/zinc/94/30/71/455943071.db2.gz UYAGGXBWOSXNMZ-QWRGUYRKSA-N 0 0 342.386 3.330 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(CCC(F)(F)F)CC1CC1 ZINC000272426412 455946024 /nfs/dbraw/zinc/94/60/24/455946024.db2.gz KTANQRJEZGNEOB-GQCTYLIASA-N 0 0 329.318 3.302 20 10 EGCDRN CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(F)cc1[O-] ZINC000285996590 455956816 /nfs/dbraw/zinc/95/68/16/455956816.db2.gz IJZWLZAKXUIRTI-GUYCJALGSA-N 0 0 330.403 3.277 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCc2cccnc21 ZINC000195420390 455959508 /nfs/dbraw/zinc/95/95/08/455959508.db2.gz QYNCNDSRMRGKIZ-IBGZPJMESA-N 0 0 335.451 3.418 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NCc2cc(C)ccn2)cc1F ZINC000296517353 455961395 /nfs/dbraw/zinc/96/13/95/455961395.db2.gz CTKMDIULRLWBEL-UHFFFAOYSA-N 0 0 344.434 3.375 20 10 EGCDRN CO[C@@H]1CCC[C@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000280430461 455969923 /nfs/dbraw/zinc/96/99/23/455969923.db2.gz XLSWCQCKSQVNOF-PKOBYXMFSA-N 0 0 330.472 3.498 20 10 EGCDRN CO[C@H]1CCC[C@@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000280430453 455970454 /nfs/dbraw/zinc/97/04/54/455970454.db2.gz XLSWCQCKSQVNOF-MJGOQNOKSA-N 0 0 330.472 3.498 20 10 EGCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc([S@](C)=O)cc1 ZINC000270521040 455974501 /nfs/dbraw/zinc/97/45/01/455974501.db2.gz YYJJKUNWEVPILN-OZAJXLCCSA-N 0 0 346.452 3.032 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000270612432 455996490 /nfs/dbraw/zinc/99/64/90/455996490.db2.gz RDSWSFYZLJYWKM-LJQANCHMSA-N 0 0 344.430 3.364 20 10 EGCDRN CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cc1 ZINC000280616611 456013894 /nfs/dbraw/zinc/01/38/94/456013894.db2.gz FARIKQYKWCYALJ-KRWDZBQOSA-N 0 0 342.439 3.122 20 10 EGCDRN COc1ccc(N2CCN(Cc3cccc(C(C)=O)c3)CC2)cc1F ZINC000296736698 456024693 /nfs/dbraw/zinc/02/46/93/456024693.db2.gz JIMLIOVRAUWEEF-UHFFFAOYSA-N 0 0 342.414 3.359 20 10 EGCDRN Cc1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c(O)c1O ZINC000272668515 456032690 /nfs/dbraw/zinc/03/26/90/456032690.db2.gz OSUHAGSINXDMFJ-UHFFFAOYSA-N 0 0 342.395 3.187 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@](F)(CO)C1 ZINC000286844462 456054982 /nfs/dbraw/zinc/05/49/82/456054982.db2.gz PVNVXKGYJROMOY-QGZVFWFLSA-N 0 0 336.432 3.092 20 10 EGCDRN CC[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287563586 456072511 /nfs/dbraw/zinc/07/25/11/456072511.db2.gz GJGKFXJWNDJSAO-CYBMUJFWSA-N 0 0 331.243 3.266 20 10 EGCDRN CC[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287764473 456077776 /nfs/dbraw/zinc/07/77/76/456077776.db2.gz RDLGGPKIHKRNOP-KBPBESRZSA-N 0 0 344.242 3.207 20 10 EGCDRN CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccc(C)c(O)c1O ZINC000272839282 456086922 /nfs/dbraw/zinc/08/69/22/456086922.db2.gz QXJXHNOMSFRVGG-UHFFFAOYSA-N 0 0 345.395 3.086 20 10 EGCDRN CCN(CC)c1ccc(CNc2ccc(C)c(S(N)(=O)=O)c2)cc1 ZINC000288413366 456094913 /nfs/dbraw/zinc/09/49/13/456094913.db2.gz JCCDBWFGSBHWOG-UHFFFAOYSA-N 0 0 347.484 3.101 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3ccoc3C(C)C)CC2)cc1 ZINC000280993013 456103639 /nfs/dbraw/zinc/10/36/39/456103639.db2.gz MWVQRFPAFXCVIW-UHFFFAOYSA-N 0 0 328.412 3.374 20 10 EGCDRN CN(Cc1c(Cl)n(C)nc1C(F)(F)F)Cc1ccccc1O ZINC000272944953 456120055 /nfs/dbraw/zinc/12/00/55/456120055.db2.gz XMGKGHAHPLCUFK-UHFFFAOYSA-N 0 0 333.741 3.430 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2COc3ccccc32)cc1 ZINC000289369787 456123314 /nfs/dbraw/zinc/12/33/14/456123314.db2.gz JIXBRAXOBQLHOE-INIZCTEOSA-N 0 0 339.439 3.070 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2F)C[C@@H](C)O1 ZINC000229561098 456129764 /nfs/dbraw/zinc/12/97/64/456129764.db2.gz BSOJTLGTRJEYFZ-BFYDXBDKSA-N 0 0 346.446 3.412 20 10 EGCDRN Cc1ccn2ncc(C(=O)NCc3ccc(N4CCCC4)cc3)c2c1 ZINC000271147308 456141642 /nfs/dbraw/zinc/14/16/42/456141642.db2.gz WUXPNHCTBXPILA-UHFFFAOYSA-N 0 0 334.423 3.173 20 10 EGCDRN COc1ccc(N2CCCN(c3ccnc(C(C)(C)C)n3)CC2)cc1 ZINC000301540058 456142228 /nfs/dbraw/zinc/14/22/28/456142228.db2.gz RWUWVJUACNACHT-UHFFFAOYSA-N 0 0 340.471 3.499 20 10 EGCDRN COc1ccc(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1F ZINC000301565174 456147875 /nfs/dbraw/zinc/14/78/75/456147875.db2.gz LUODUXNEQFMYQM-UHFFFAOYSA-N 0 0 349.337 3.208 20 10 EGCDRN CCCCOc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1OC ZINC000236680443 456168233 /nfs/dbraw/zinc/16/82/33/456168233.db2.gz USMPTBQXSZQCNZ-UHFFFAOYSA-N 0 0 342.439 3.315 20 10 EGCDRN Cc1cc(C(=O)NCC[C@H]2CCO[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000273116831 456182257 /nfs/dbraw/zinc/18/22/57/456182257.db2.gz FNZWMVCMKFFSPY-WBVHZDCISA-N 0 0 341.455 3.424 20 10 EGCDRN CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000297321241 456185821 /nfs/dbraw/zinc/18/58/21/456185821.db2.gz NKAPTTYJJMJKLV-NXEZZACHSA-N 0 0 336.310 3.309 20 10 EGCDRN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000271245661 456189474 /nfs/dbraw/zinc/18/94/74/456189474.db2.gz BZTSUEIXRWLXMZ-WMZOPIPTSA-N 0 0 345.487 3.386 20 10 EGCDRN C[C@H]1C[C@H](CCNC(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000273147587 456192357 /nfs/dbraw/zinc/19/23/57/456192357.db2.gz WVNZCCHPWUZEOL-LSDHHAIUSA-N 0 0 346.471 3.275 20 10 EGCDRN CCOCCOCc1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000236919659 456200412 /nfs/dbraw/zinc/20/04/12/456200412.db2.gz YOPOJHZDEGZXNU-UHFFFAOYSA-N 0 0 328.412 3.003 20 10 EGCDRN C[C@H](Nc1nnc(C2CC2)s1)c1ccc(N2CCOCC2)cc1 ZINC000301746243 456204910 /nfs/dbraw/zinc/20/49/10/456204910.db2.gz XWRRHUPDSFNFMV-LBPRGKRZSA-N 0 0 330.457 3.425 20 10 EGCDRN C[C@H](CNC(=O)NCc1ccccc1O)COCc1ccccc1 ZINC000263770466 456218211 /nfs/dbraw/zinc/21/82/11/456218211.db2.gz UARVOQVHAUGXAJ-OAHLLOKOSA-N 0 0 328.412 3.044 20 10 EGCDRN CC[C@@H]1C[C@@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000273279222 456221701 /nfs/dbraw/zinc/22/17/01/456221701.db2.gz XWTIYOVKCMMOOQ-GOEBONIOSA-N 0 0 332.444 3.073 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000273340949 456223958 /nfs/dbraw/zinc/22/39/58/456223958.db2.gz AMFURPLWAKFJOX-SJORKVTESA-N 0 0 347.503 3.489 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(F)cc1[O-] ZINC000273368848 456225783 /nfs/dbraw/zinc/22/57/83/456225783.db2.gz BZBDVOZOQSAUJZ-NWDGAFQWSA-N 0 0 328.387 3.462 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000273401814 456228406 /nfs/dbraw/zinc/22/84/06/456228406.db2.gz NGRXNOIIRUIVQI-WFASDCNBSA-N 0 0 348.468 3.194 20 10 EGCDRN CCOc1ccccc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273400647 456228690 /nfs/dbraw/zinc/22/86/90/456228690.db2.gz MXIBYHVEOJLCIJ-CYBMUJFWSA-N 0 0 329.396 3.428 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2)c1 ZINC000273520454 456236442 /nfs/dbraw/zinc/23/64/42/456236442.db2.gz UBGPOWAGIDFWMM-CYBMUJFWSA-N 0 0 329.396 3.347 20 10 EGCDRN Cc1ccc([C@H](C)Nc2ccc(OCCC(N)=O)cc2)c(O)c1C ZINC000273542962 456237358 /nfs/dbraw/zinc/23/73/58/456237358.db2.gz YTGALPLRQWQARJ-AWEZNQCLSA-N 0 0 328.412 3.436 20 10 EGCDRN FCCn1ncnc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000281447683 456237992 /nfs/dbraw/zinc/23/79/92/456237992.db2.gz LDQHOXKNDIEZJQ-UHFFFAOYSA-N 0 0 344.312 3.099 20 10 EGCDRN CCCOc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000273570678 456239515 /nfs/dbraw/zinc/23/95/15/456239515.db2.gz KQRUTQAWEYEUBU-ZDUSSCGKSA-N 0 0 344.411 3.213 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)c1 ZINC000273623066 456242041 /nfs/dbraw/zinc/24/20/41/456242041.db2.gz ZRJVYBVVXLMMFY-WDEREUQCSA-N 0 0 332.400 3.065 20 10 EGCDRN COc1cc(NCc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000301926244 456251999 /nfs/dbraw/zinc/25/19/99/456251999.db2.gz MVOKGFMRQOAPET-UHFFFAOYSA-N 0 0 331.372 3.290 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)CCC(=O)c2ccccn2)cc1 ZINC000274430571 456258800 /nfs/dbraw/zinc/25/88/00/456258800.db2.gz DXVXNFCTNQQVDQ-UHFFFAOYSA-N 0 0 339.439 3.207 20 10 EGCDRN CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000290190395 456263113 /nfs/dbraw/zinc/26/31/13/456263113.db2.gz FXSOGCGFSQVFJT-SECBINFHSA-N 0 0 340.272 3.173 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000274917047 456267022 /nfs/dbraw/zinc/26/70/22/456267022.db2.gz KILYIJBAVFJFMV-GDBMZVCRSA-N 0 0 339.435 3.340 20 10 EGCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2ccc(C)c(C)c2)cn1 ZINC000274961727 456268138 /nfs/dbraw/zinc/26/81/38/456268138.db2.gz AVELARKIABJZPF-UHFFFAOYSA-N 0 0 337.427 3.197 20 10 EGCDRN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc(O)c1O ZINC000275032119 456268973 /nfs/dbraw/zinc/26/89/73/456268973.db2.gz UHMLVLIHXBBYKO-ZDUSSCGKSA-N 0 0 343.379 3.298 20 10 EGCDRN COC(=O)[C@@H](NCc1cc(C)c(C)cc1O)c1ccc(OC)cc1 ZINC000275117277 456270039 /nfs/dbraw/zinc/27/00/39/456270039.db2.gz IEVCVPZZOAADLA-SFHVURJKSA-N 0 0 329.396 3.022 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCC(F)(F)C1 ZINC000281645496 456282241 /nfs/dbraw/zinc/28/22/41/456282241.db2.gz MPOFNOCAVPIVRW-OAHLLOKOSA-N 0 0 335.398 3.297 20 10 EGCDRN NC(=O)c1cnccc1N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000302212764 456319294 /nfs/dbraw/zinc/31/92/94/456319294.db2.gz HKBACLGACBGZJL-UHFFFAOYSA-N 0 0 336.370 3.095 20 10 EGCDRN CNC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000302337688 456335672 /nfs/dbraw/zinc/33/56/72/456335672.db2.gz BCBRJPUUYSUKEI-GFCCVEGCSA-N 0 0 342.399 3.194 20 10 EGCDRN Cc1cc2c(N[C@H](C)c3ccc(N4CCOCC4)cc3)nccn2n1 ZINC000302574837 456361946 /nfs/dbraw/zinc/36/19/46/456361946.db2.gz QPHLRZRJBATVGZ-OAHLLOKOSA-N 0 0 337.427 3.047 20 10 EGCDRN Cc1ccc(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000298401055 456444912 /nfs/dbraw/zinc/44/49/12/456444912.db2.gz PRGYCZCNKOFJQN-UHFFFAOYSA-N 0 0 336.435 3.435 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000298401630 456447014 /nfs/dbraw/zinc/44/70/14/456447014.db2.gz TXXXQTBIAVHRML-UHFFFAOYSA-N 0 0 339.395 3.466 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc(C(=O)OC)n1 ZINC000282440551 456515044 /nfs/dbraw/zinc/51/50/44/456515044.db2.gz IASFWAGNPPUTGV-UHFFFAOYSA-N 0 0 342.395 3.016 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)Nc2c(C)nn(C)c2C)cc1 ZINC000298944325 456574263 /nfs/dbraw/zinc/57/42/63/456574263.db2.gz KIJXVYVSBIKIGK-UHFFFAOYSA-N 0 0 329.448 3.205 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](C)c2nncn2C)c(C)n1-c1cccc(C)c1 ZINC000298960724 456576410 /nfs/dbraw/zinc/57/64/10/456576410.db2.gz DWBZWERQHVJQMK-AWEZNQCLSA-N 0 0 337.427 3.022 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1nnc(C)s1 ZINC000291331640 456608027 /nfs/dbraw/zinc/60/80/27/456608027.db2.gz VNYSXDPWIJMVQP-UHFFFAOYSA-N 0 0 346.481 3.288 20 10 EGCDRN Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000276889171 456610974 /nfs/dbraw/zinc/61/09/74/456610974.db2.gz HEYOODUTTHKXFL-LBPRGKRZSA-N 0 0 334.366 3.059 20 10 EGCDRN CCN(Cc1nc(-c2ccco2)no1)c1ccc(OC)c(OC)c1 ZINC000299273131 456646073 /nfs/dbraw/zinc/64/60/73/456646073.db2.gz KOWOIMIKQQIBNZ-UHFFFAOYSA-N 0 0 329.356 3.373 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(N2CCCCCC2)cc1 ZINC000282946775 456671462 /nfs/dbraw/zinc/67/14/62/456671462.db2.gz ZBQPJFWDTHVUFP-CVEARBPZSA-N 0 0 335.467 3.192 20 10 EGCDRN O=C(NCc1ccccc1O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000299497474 456711427 /nfs/dbraw/zinc/71/14/27/456711427.db2.gz LCNHUCBZYGTTFA-KRWDZBQOSA-N 0 0 342.395 3.272 20 10 EGCDRN Cc1ccccc1C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000277226819 456732582 /nfs/dbraw/zinc/73/25/82/456732582.db2.gz IFEZZFAQZAGDLM-GOSISDBHSA-N 0 0 326.440 3.094 20 10 EGCDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccc1O ZINC000299596713 456739200 /nfs/dbraw/zinc/73/92/00/456739200.db2.gz UVTBSCXLBNIETR-UHFFFAOYSA-N 0 0 329.444 3.111 20 10 EGCDRN CC(C)=CCCNC(=O)NCc1cccc(Br)c1O ZINC000277356944 456793624 /nfs/dbraw/zinc/79/36/24/456793624.db2.gz GSTYODQPPFZWAE-UHFFFAOYSA-N 0 0 327.222 3.310 20 10 EGCDRN CCOC1(C)CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000291926087 456801221 /nfs/dbraw/zinc/80/12/21/456801221.db2.gz RWOYTURXLFATDW-UHFFFAOYSA-N 0 0 345.487 3.170 20 10 EGCDRN CC(C)c1cc(C(=O)NCc2cccc(Br)c2O)on1 ZINC000277389658 456804482 /nfs/dbraw/zinc/80/44/82/456804482.db2.gz AKMGLQHOEGGQRB-UHFFFAOYSA-N 0 0 339.189 3.196 20 10 EGCDRN CCN(CC)c1ccc(CN2C(=O)[C@@H]3C[C@H](C)CCN3C2=O)cc1 ZINC000277389831 456804893 /nfs/dbraw/zinc/80/48/93/456804893.db2.gz PMUWUKCWGXGZRD-PBHICJAKSA-N 0 0 329.444 3.096 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCCNC(=O)C(C)(C)C ZINC000348695636 456818917 /nfs/dbraw/zinc/81/89/17/456818917.db2.gz BJGNUCMXECKKFX-UHFFFAOYSA-N 0 0 343.471 3.045 20 10 EGCDRN Cc1cccc([N+](=O)[O-])c1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000301201641 456820573 /nfs/dbraw/zinc/82/05/73/456820573.db2.gz WSMDWJYOAGQEGR-UHFFFAOYSA-N 0 0 341.411 3.376 20 10 EGCDRN CCCc1nc(C)c(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000292042176 456837488 /nfs/dbraw/zinc/83/74/88/456837488.db2.gz FIVSBDWYAWMPRF-UHFFFAOYSA-N 0 0 344.459 3.343 20 10 EGCDRN Cc1ccc(CN2C[C@H](O)Cc3ccccc32)c(-c2cnn(C)c2)c1 ZINC000338958196 456877858 /nfs/dbraw/zinc/87/78/58/456877858.db2.gz SJSDIBFKIMONMK-LJQANCHMSA-N 0 0 333.435 3.319 20 10 EGCDRN CCN(Cc1nc(-c2ccccn2)no1)c1ccc(OC)c(OC)c1 ZINC000363064870 457213271 /nfs/dbraw/zinc/21/32/71/457213271.db2.gz LSAKKTCCDIHCGM-UHFFFAOYSA-N 0 0 340.383 3.175 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC000352126995 457339724 /nfs/dbraw/zinc/33/97/24/457339724.db2.gz ZWBCVVUBSAZYOD-FQEVSTJZSA-N 0 0 335.451 3.406 20 10 EGCDRN O=C1[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCN1Cc1ccccc1 ZINC000365075795 457725882 /nfs/dbraw/zinc/72/58/82/457725882.db2.gz CFWYWYQYQALDBT-HNNXBMFYSA-N 0 0 348.805 3.075 20 10 EGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nccn1-c1ccccc1 ZINC000366252446 457802644 /nfs/dbraw/zinc/80/26/44/457802644.db2.gz AQLKPSDTWURLKI-PLWJUESGSA-N 0 0 349.390 3.174 20 10 EGCDRN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(F)cc1[O-] ZINC000367555653 457962766 /nfs/dbraw/zinc/96/27/66/457962766.db2.gz XDMPWHOQYPSBOA-QGZVFWFLSA-N 0 0 346.402 3.470 20 10 EGCDRN COCCc1ccnc(NC2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000367691486 457972284 /nfs/dbraw/zinc/97/22/84/457972284.db2.gz URNDULQCCYRQEK-UHFFFAOYSA-N 0 0 341.455 3.360 20 10 EGCDRN O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000372756866 458330571 /nfs/dbraw/zinc/33/05/71/458330571.db2.gz HCVVJPSEYBKFIM-OCCSQVGLSA-N 0 0 344.238 3.269 20 10 EGCDRN COc1ccc(CNC(=O)N[C@@H]2CCCOc3ccccc32)c(O)c1 ZINC000373497243 458510777 /nfs/dbraw/zinc/51/07/77/458510777.db2.gz RYJJBZNPSKDROO-MRXNPFEDSA-N 0 0 342.395 3.114 20 10 EGCDRN c1cc(N2CCCCC2)ccc1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377707944 458512030 /nfs/dbraw/zinc/51/20/30/458512030.db2.gz WKGJRJDQJHUILF-UXHICEINSA-N 0 0 330.472 3.057 20 10 EGCDRN COc1cncc(/C=C\C(=O)N2CCC[C@@H](O)c3cc(F)ccc32)c1 ZINC000493754146 458555701 /nfs/dbraw/zinc/55/57/01/458555701.db2.gz YHKKCOKPUFJLTC-NCRRVARUSA-N 0 0 342.370 3.103 20 10 EGCDRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)/C=C/c1cncs1 ZINC000493861088 458590152 /nfs/dbraw/zinc/59/01/52/458590152.db2.gz WWCLEHDRXUOWDZ-VUDBWIFFSA-N 0 0 342.346 3.202 20 10 EGCDRN CC(C)[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1cccnc1 ZINC000439073738 458648822 /nfs/dbraw/zinc/64/88/22/458648822.db2.gz ASCHFBGXDYLPPO-IBGZPJMESA-N 0 0 339.439 3.313 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000472218086 458774107 /nfs/dbraw/zinc/77/41/07/458774107.db2.gz AFXIOFIPJZOVSH-OAHLLOKOSA-N 0 0 341.455 3.197 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000472224784 458775531 /nfs/dbraw/zinc/77/55/31/458775531.db2.gz UZUGHAZMUREIBN-CYBMUJFWSA-N 0 0 329.444 3.196 20 10 EGCDRN CCOC(=O)c1cnc(NCc2c(C)c3ccccc3n2C)nc1C ZINC000530481650 458776139 /nfs/dbraw/zinc/77/61/39/458776139.db2.gz AGKSEXNIRCIIHT-UHFFFAOYSA-N 0 0 338.411 3.374 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CCCOC1 ZINC000472235192 458776764 /nfs/dbraw/zinc/77/67/64/458776764.db2.gz WJDSLLJHHIABRA-OAHLLOKOSA-N 0 0 329.444 3.055 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000467403706 458972767 /nfs/dbraw/zinc/97/27/67/458972767.db2.gz LFGYYPLQFQXLKT-IAGOWNOFSA-N 0 0 340.398 3.421 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000467403708 458973535 /nfs/dbraw/zinc/97/35/35/458973535.db2.gz LFGYYPLQFQXLKT-IRXDYDNUSA-N 0 0 340.398 3.421 20 10 EGCDRN C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000591396551 459370723 /nfs/dbraw/zinc/37/07/23/459370723.db2.gz YQBUEODRJRQAFW-LLVKDONJSA-N 0 0 345.449 3.079 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(F)c1F ZINC000541095846 459427695 /nfs/dbraw/zinc/42/76/95/459427695.db2.gz ZRMGVPSYTSTXDF-UHFFFAOYSA-N 0 0 333.338 3.462 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000541794729 459492579 /nfs/dbraw/zinc/49/25/79/459492579.db2.gz VPWCTKRLEJZSNW-MIFYACCESA-N 0 0 343.471 3.490 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1snnc1C1CC1 ZINC000562198332 459517555 /nfs/dbraw/zinc/51/75/55/459517555.db2.gz FUGOFXGIQSQVJY-UHFFFAOYSA-N 0 0 326.425 3.146 20 10 EGCDRN COc1ccc(N(C)C(=O)/C=C\c2c(Cl)nc3sccn23)cn1 ZINC000491336268 459618074 /nfs/dbraw/zinc/61/80/74/459618074.db2.gz SZMQCAAYYQURAW-XQRVVYSFSA-N 0 0 348.815 3.129 20 10 EGCDRN CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000491892485 459683130 /nfs/dbraw/zinc/68/31/30/459683130.db2.gz LPKMOZHBOUAOLJ-CLTKARDFSA-N 0 0 335.722 3.459 20 10 EGCDRN Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)N(C)c1ccc(C)nn1 ZINC000491905947 459684362 /nfs/dbraw/zinc/68/43/62/459684362.db2.gz PPUJQXXGZXGDEL-CLFYSBASSA-N 0 0 347.850 3.276 20 10 EGCDRN Cc1cccnc1N(C)C(=O)/C=C/c1c(Cl)nc2ccccn21 ZINC000492001265 459687903 /nfs/dbraw/zinc/68/79/03/459687903.db2.gz MSZMFCVTIXXIKM-CMDGGOBGSA-N 0 0 326.787 3.367 20 10 EGCDRN Cc1c(/C=C\C(=O)N(Cc2cscn2)c2ccccc2)cnn1C ZINC000492250847 459697470 /nfs/dbraw/zinc/69/74/70/459697470.db2.gz VNFBCKKHGDJHNL-HJWRWDBZSA-N 0 0 338.436 3.432 20 10 EGCDRN CCOC(=O)CN(C(=O)/C=C/c1cnccc1C)c1ccccc1F ZINC000492506510 459708041 /nfs/dbraw/zinc/70/80/41/459708041.db2.gz VKHIVBRTDMWSJZ-CMDGGOBGSA-N 0 0 342.370 3.139 20 10 EGCDRN COc1ncc(/C=C\C(=O)N(Cc2ccco2)c2ccccc2)cn1 ZINC000492656960 459715620 /nfs/dbraw/zinc/71/56/20/459715620.db2.gz WNYVXGDDLMILFH-KTKRTIGZSA-N 0 0 335.363 3.325 20 10 EGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccc(Br)nc1 ZINC000492660940 459715831 /nfs/dbraw/zinc/71/58/31/459715831.db2.gz FMCRNIXSULSGEG-XQRVVYSFSA-N 0 0 338.230 3.285 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C\c1nnc(C(C)C)o1 ZINC000492708963 459717946 /nfs/dbraw/zinc/71/79/46/459717946.db2.gz QINOIQBWYCRHOG-KTKRTIGZSA-N 0 0 338.411 3.323 20 10 EGCDRN COc1cccc(CNc2cccc(-c3nnnn3C(C)C)c2)c1O ZINC000527745559 459722847 /nfs/dbraw/zinc/72/28/47/459722847.db2.gz RXPSMNLMPSYCHM-UHFFFAOYSA-N 0 0 339.399 3.247 20 10 EGCDRN O=S(=O)(c1cccc2nsnc21)N1CCCCc2ccccc21 ZINC000615212697 460293752 /nfs/dbraw/zinc/29/37/52/460293752.db2.gz YHJPWSSJDYHJBG-UHFFFAOYSA-N 0 0 345.449 3.223 20 10 EGCDRN Fc1cc(CNc2nc(C3CC3)ns2)ccc1N1CCOCC1 ZINC000170654118 534443534 /nfs/dbraw/zinc/44/35/34/534443534.db2.gz QGMGGPAQTZEDNU-UHFFFAOYSA-N 0 0 334.420 3.003 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1[O-] ZINC000374924284 547814040 /nfs/dbraw/zinc/81/40/40/547814040.db2.gz GNWIYUFLKRCPDU-GFCCVEGCSA-N 0 0 340.807 3.202 20 10 EGCDRN O=C([O-])C[N@@H+](CCOc1ccccc1)Cc1cc(Cl)ccc1O ZINC000739794403 574544911 /nfs/dbraw/zinc/54/49/11/574544911.db2.gz YAVLBQPBHQWYCC-UHFFFAOYSA-N 0 0 335.787 3.011 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cn2cccc(C)c2n1 ZINC000727171193 574651894 /nfs/dbraw/zinc/65/18/94/574651894.db2.gz YOCWXNQUCLCEEU-UHFFFAOYSA-N 0 0 337.423 3.330 20 10 EGCDRN C[C@H](O)c1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000727226480 574655155 /nfs/dbraw/zinc/65/51/55/574655155.db2.gz CTBWBVFXOSMLIP-HNNXBMFYSA-N 0 0 341.455 3.148 20 10 EGCDRN CN(C)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1F ZINC000727660385 574681960 /nfs/dbraw/zinc/68/19/60/574681960.db2.gz XYWVGYFMZMIOGQ-GDNBJRDFSA-N 0 0 328.318 3.375 20 10 EGCDRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccccc1O ZINC000751149410 574746454 /nfs/dbraw/zinc/74/64/54/574746454.db2.gz XKWQCGOIMMTHAR-UHFFFAOYSA-N 0 0 346.235 3.319 20 10 EGCDRN O=C(NCc1ccccc1O)c1csc(-c2ccc(O)cc2)n1 ZINC000728604998 574761401 /nfs/dbraw/zinc/76/14/01/574761401.db2.gz NIGFRSGCHCVGSZ-UHFFFAOYSA-N 0 0 326.377 3.151 20 10 EGCDRN Cc1noc(C)c1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000728739348 574769119 /nfs/dbraw/zinc/76/91/19/574769119.db2.gz LUBYUMWXIZWEDZ-GFCCVEGCSA-N 0 0 344.415 3.011 20 10 EGCDRN CCO[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728837415 574775341 /nfs/dbraw/zinc/77/53/41/574775341.db2.gz SGEGKFNLHHVIAJ-LSDHHAIUSA-N 0 0 344.377 3.069 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000728984989 574791549 /nfs/dbraw/zinc/79/15/49/574791549.db2.gz URHWHSHAFYVFDG-CQSZACIVSA-N 0 0 329.396 3.274 20 10 EGCDRN CCCN(CC)C(=O)c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000729529812 574869491 /nfs/dbraw/zinc/86/94/91/574869491.db2.gz JQTXIGGIXKYGRI-UHFFFAOYSA-N 0 0 340.423 3.194 20 10 EGCDRN COc1cccc(CNC(=O)C(F)(F)c2cccc(Cl)c2)c1O ZINC000729858876 574891714 /nfs/dbraw/zinc/89/17/14/574891714.db2.gz FUTDJTZJGAIIMM-UHFFFAOYSA-N 0 0 341.741 3.462 20 10 EGCDRN CCOc1ccc(SCC(=O)NCc2cccc(OC)c2O)cc1 ZINC000729859393 574891723 /nfs/dbraw/zinc/89/17/23/574891723.db2.gz 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C[C@@H]([NH2+]CCCn1ccnc1)c1cc(Br)c(F)cc1[O-] ZINC000756340344 1300471031 /nfs/dbraw/zinc/47/10/31/1300471031.db2.gz DWSMYFDOINGRIN-SNVBAGLBSA-N 0 0 342.212 3.231 20 10 EGCDRN C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756345131 1300472015 /nfs/dbraw/zinc/47/20/15/1300472015.db2.gz VWVXYSLIQGWCEP-BBRMVZONSA-N 0 0 334.410 3.494 20 10 EGCDRN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756413403 1300486100 /nfs/dbraw/zinc/48/61/00/1300486100.db2.gz DPLHSKYDRUKBDF-LLVKDONJSA-N 0 0 334.366 3.271 20 10 EGCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756455246 1300496029 /nfs/dbraw/zinc/49/60/29/1300496029.db2.gz BQBYMXHITYKQEH-DGCLKSJQSA-N 0 0 339.357 3.311 20 10 EGCDRN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756535982 1300516261 /nfs/dbraw/zinc/51/62/61/1300516261.db2.gz SZEFBCKCOJCLIT-SECBINFHSA-N 0 0 338.310 3.438 20 10 EGCDRN C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756561199 1300521499 /nfs/dbraw/zinc/52/14/99/1300521499.db2.gz CGPOEXMUDXTFJD-ORAYPTAESA-N 0 0 342.395 3.175 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000756571690 1300524045 /nfs/dbraw/zinc/52/40/45/1300524045.db2.gz CYGKIWAFWOURKP-CMPLNLGQSA-N 0 0 342.386 3.330 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756575256 1300525720 /nfs/dbraw/zinc/52/57/20/1300525720.db2.gz ODAIVHLHQHRWTI-WDEREUQCSA-N 0 0 344.371 3.203 20 10 EGCDRN C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000756575818 1300525829 /nfs/dbraw/zinc/52/58/29/1300525829.db2.gz QOGWXTQSRORIQV-OTYXRUKQSA-N 0 0 332.213 3.371 20 10 EGCDRN C[C@@H]([NH2+]CCN1CCSCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756575546 1300525861 /nfs/dbraw/zinc/52/58/61/1300525861.db2.gz HLCZCWKHJMHEIU-SNVBAGLBSA-N 0 0 335.300 3.398 20 10 EGCDRN C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000756597274 1300529214 /nfs/dbraw/zinc/52/92/14/1300529214.db2.gz LNGCPJAZHFJZIG-LBPRGKRZSA-N 0 0 348.393 3.266 20 10 EGCDRN C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000756599081 1300529695 /nfs/dbraw/zinc/52/96/95/1300529695.db2.gz WTRGKAVAIOZYAG-AWEZNQCLSA-N 0 0 328.431 3.281 20 10 EGCDRN COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756607668 1300530409 /nfs/dbraw/zinc/53/04/09/1300530409.db2.gz GZVVLSYBSXXYQU-QWHCGFSZSA-N 0 0 346.383 3.427 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756609935 1300530681 /nfs/dbraw/zinc/53/06/81/1300530681.db2.gz GOCPTTHCPDXQTL-JFGNBEQYSA-N 0 0 345.256 3.427 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)Oc2cccc(F)c2)c1 ZINC000756607713 1300530732 /nfs/dbraw/zinc/53/07/32/1300530732.db2.gz IAVUQPYWMCRUGG-CHWSQXEVSA-N 0 0 347.386 3.436 20 10 EGCDRN COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756614666 1300531749 /nfs/dbraw/zinc/53/17/49/1300531749.db2.gz UMTPKVSKBSWEKN-MEDUHNTESA-N 0 0 344.367 3.483 20 10 EGCDRN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756643461 1300540474 /nfs/dbraw/zinc/54/04/74/1300540474.db2.gz UWXWQMYMZLKGLE-MVRHMAIQSA-N 0 0 340.445 3.031 20 10 EGCDRN C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756671817 1300546090 /nfs/dbraw/zinc/54/60/90/1300546090.db2.gz KHHUDYWRSKJHSP-UWVGGRQHSA-N 0 0 342.212 3.230 20 10 EGCDRN C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756708425 1300549760 /nfs/dbraw/zinc/54/97/60/1300549760.db2.gz SRPBINHMQWRKHT-SNVBAGLBSA-N 0 0 338.310 3.308 20 10 EGCDRN COc1cccc(OCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756735879 1300556295 /nfs/dbraw/zinc/55/62/95/1300556295.db2.gz BXBCYFKRAGQDED-CYBMUJFWSA-N 0 0 346.383 3.429 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000756741139 1300558071 /nfs/dbraw/zinc/55/80/71/1300558071.db2.gz UYLIOUCAHBUUSG-DIFFPNOSSA-N 0 0 349.814 3.216 20 10 EGCDRN 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C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC34CCC4)cc2F)C[C@@H](C)O1 ZINC000759717435 1301148080 /nfs/dbraw/zinc/14/80/80/1301148080.db2.gz HIUGPVZFDUQZED-FMKPAKJESA-N 0 0 346.446 3.246 20 10 EGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](CO)Oc3ccccc32)c1O ZINC000759738387 1301152284 /nfs/dbraw/zinc/15/22/84/1301152284.db2.gz BLJAFUXLLLKHLV-CQSZACIVSA-N 0 0 347.798 3.008 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccnc(N(C)C)c1 ZINC000880610086 1301180520 /nfs/dbraw/zinc/18/05/20/1301180520.db2.gz YYLQYYIAIQALCB-UHFFFAOYSA-N 0 0 328.416 3.297 20 10 EGCDRN C[C@@H](NC(=O)Nc1c2c(nn1C)CCCC2)c1ccc(N(C)C)cc1 ZINC000880620967 1301183192 /nfs/dbraw/zinc/18/31/92/1301183192.db2.gz TXCMXRYBJZFHKK-CYBMUJFWSA-N 0 0 341.459 3.248 20 10 EGCDRN COc1ccc(NC(=O)NCCCSc2nccs2)c(C)n1 ZINC000760080870 1301217666 /nfs/dbraw/zinc/21/76/66/1301217666.db2.gz BNUMZLCAYPZNOT-UHFFFAOYSA-N 0 0 338.458 3.159 20 10 EGCDRN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc[nH]1 ZINC000760308297 1301249279 /nfs/dbraw/zinc/24/92/79/1301249279.db2.gz 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UAQYYMWQNSNICU-UHFFFAOYSA-N 0 0 336.319 3.269 20 10 EGCDRN CCOCCONC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000775243785 1303929773 /nfs/dbraw/zinc/92/97/73/1303929773.db2.gz INLVYNONRCULGV-UHFFFAOYSA-N 0 0 336.819 3.445 20 10 EGCDRN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000775404578 1303958374 /nfs/dbraw/zinc/95/83/74/1303958374.db2.gz YNNKPLKIOHECAB-LBPRGKRZSA-N 0 0 327.428 3.391 20 10 EGCDRN C[C@@H](NC(=O)c1ccnc(Br)c1)c1ccc(N(C)C)cc1 ZINC000775404398 1303958401 /nfs/dbraw/zinc/95/84/01/1303958401.db2.gz XLFWZQSAPPOTDF-LLVKDONJSA-N 0 0 348.244 3.401 20 10 EGCDRN COc1ccccc1NCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775404786 1303958634 /nfs/dbraw/zinc/95/86/34/1303958634.db2.gz NXOCAUHPHQITER-CQSZACIVSA-N 0 0 327.428 3.051 20 10 EGCDRN Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775403885 1303958732 /nfs/dbraw/zinc/95/87/32/1303958732.db2.gz LEUXRQMOXQLCNS-SECBINFHSA-N 0 0 340.349 3.294 20 10 EGCDRN C[C@H](NC(=O)[C@H](O)Cc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775411994 1303960750 /nfs/dbraw/zinc/96/07/50/1303960750.db2.gz TWKUAJNJRSHONX-SCLBCKFNSA-N 0 0 346.858 3.187 20 10 EGCDRN Cc1cc(Br)cc(CN(C)[C@H](C)C(=O)OC(C)C)c1O ZINC000775725683 1304021729 /nfs/dbraw/zinc/02/17/29/1304021729.db2.gz LJGLLVUBBNFBQG-LLVKDONJSA-N 0 0 344.249 3.235 20 10 EGCDRN Cc1cc(Br)cc(CNc2ccc(CC(N)=O)cc2)c1O ZINC000775746693 1304027787 /nfs/dbraw/zinc/02/77/87/1304027787.db2.gz LMPWHWKGDUHCSD-UHFFFAOYSA-N 0 0 349.228 3.103 20 10 EGCDRN CN(C)C(=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000776093655 1304095433 /nfs/dbraw/zinc/09/54/33/1304095433.db2.gz HFUGMFFXVRNGRH-MRXNPFEDSA-N 0 0 332.831 3.355 20 10 EGCDRN CC(C)C[C@@H](CCO)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776155738 1304103893 /nfs/dbraw/zinc/10/38/93/1304103893.db2.gz HCKGZHCWKUKNJW-JKSUJKDBSA-N 0 0 335.492 3.158 20 10 EGCDRN C[C@H](NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(N(C)C)cc1 ZINC000776239182 1304119855 /nfs/dbraw/zinc/11/98/55/1304119855.db2.gz RPBIDIAXZOMFKU-GOEBONIOSA-N 0 0 341.459 3.126 20 10 EGCDRN Cc1nc(-c2ccc(NC(=O)C3=CC(=O)CS3)cc2Cl)n[nH]1 ZINC000776247624 1304119911 /nfs/dbraw/zinc/11/99/11/1304119911.db2.gz FVFPNKRGGUNMPT-UHFFFAOYSA-N 0 0 334.788 3.453 20 10 EGCDRN CC(C)([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(=O)NCC1CCCC1 ZINC000776251871 1304121305 /nfs/dbraw/zinc/12/13/05/1304121305.db2.gz GKLZHKWHMARIJJ-UHFFFAOYSA-N 0 0 342.842 3.359 20 10 EGCDRN C[C@@H](NC(=O)N1CCC[C@@]1(C)CCCO)c1ccc(N(C)C)cc1 ZINC000776248366 1304121448 /nfs/dbraw/zinc/12/14/48/1304121448.db2.gz ZETNPIBBNKWXMB-BEFAXECRSA-N 0 0 333.476 3.150 20 10 EGCDRN Cc1ccc(NC(=S)NNc2cccc(S(C)(=O)=O)c2)cc1C ZINC000776268595 1304124458 /nfs/dbraw/zinc/12/44/58/1304124458.db2.gz TWPXAVZDAHGPHB-UHFFFAOYSA-N 0 0 349.481 3.020 20 10 EGCDRN CC(C)n1ncc2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc21 ZINC000776745131 1304192438 /nfs/dbraw/zinc/19/24/38/1304192438.db2.gz SESBZGIHXHRKIK-UHFFFAOYSA-N 0 0 331.397 3.124 20 10 EGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CC[C@H](CF)C1 ZINC000888581479 1304206988 /nfs/dbraw/zinc/20/69/88/1304206988.db2.gz BJSDGEPKUUIECG-CYBMUJFWSA-N 0 0 339.374 3.220 20 10 EGCDRN Cc1ncsc1/C=C/C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000776892394 1304217587 /nfs/dbraw/zinc/21/75/87/1304217587.db2.gz MUYCLKVWJYFVNT-ONEGZZNKSA-N 0 0 329.381 3.271 20 10 EGCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(F)c1 ZINC000776927156 1304220293 /nfs/dbraw/zinc/22/02/93/1304220293.db2.gz ASDSNELCNKZLFR-UHFFFAOYSA-N 0 0 328.387 3.333 20 10 EGCDRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cccc(O)c1O ZINC000888896559 1304316963 /nfs/dbraw/zinc/31/69/63/1304316963.db2.gz PCOLTEXJKROYOZ-VBHSOAQHSA-N 0 0 327.380 3.089 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)cc1 ZINC000889047049 1304365684 /nfs/dbraw/zinc/36/56/84/1304365684.db2.gz SDSKMZLQURIYCT-UHFFFAOYSA-N 0 0 341.436 3.200 20 10 EGCDRN COc1ccc(N2CCN(Cc3ccc(Cl)cn3)CC2)cc1F ZINC000778217923 1304421607 /nfs/dbraw/zinc/42/16/07/1304421607.db2.gz MJQLPLKJKCGMQZ-UHFFFAOYSA-N 0 0 335.810 3.205 20 10 EGCDRN COCc1ccccc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000778662374 1304477380 /nfs/dbraw/zinc/47/73/80/1304477380.db2.gz XNNBGQRSCGUSHL-UHFFFAOYSA-N 0 0 346.452 3.234 20 10 EGCDRN CCOC(=O)Cc1cccc(N(C)C(=O)/C=C\c2ccc(C)nc2)c1 ZINC000889464618 1304488772 /nfs/dbraw/zinc/48/87/72/1304488772.db2.gz YNXASUBMILELQT-KHPPLWFESA-N 0 0 338.407 3.172 20 10 EGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccnc(Oc2ccccc2)c1 ZINC000778925159 1304509355 /nfs/dbraw/zinc/50/93/55/1304509355.db2.gz IFASFIOWKIEQQI-UHFFFAOYSA-N 0 0 336.347 3.215 20 10 EGCDRN CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000779013280 1304518027 /nfs/dbraw/zinc/51/80/27/1304518027.db2.gz HNUBTBQOIPHIJS-UHFFFAOYSA-N 0 0 338.423 3.363 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(Br)c(F)cc1[O-] ZINC000779089680 1304527724 /nfs/dbraw/zinc/52/77/24/1304527724.db2.gz VQPZCPSODHBHCM-RBZYPMLTSA-N 0 0 346.240 3.496 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2CCn3ccnc3C2)c(C)n1-c1ccccc1C ZINC000779097781 1304529147 /nfs/dbraw/zinc/52/91/47/1304529147.db2.gz XJJKHTIEKPXDGV-QGZVFWFLSA-N 0 0 348.450 3.344 20 10 EGCDRN CC(C)[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000779150949 1304535702 /nfs/dbraw/zinc/53/57/02/1304535702.db2.gz UURGRHQCGDVQLQ-LJQANCHMSA-N 0 0 347.459 3.442 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)OCc3cnns3)c2C)cc1 ZINC000779250798 1304546893 /nfs/dbraw/zinc/54/68/93/1304546893.db2.gz RAQXZJLVMOOVTP-UHFFFAOYSA-N 0 0 343.408 3.311 20 10 EGCDRN CCOC(=O)[C@H](Cc1ccccc1)NCc1ccc(N(C)C)c(F)c1 ZINC000779431992 1304570919 /nfs/dbraw/zinc/57/09/19/1304570919.db2.gz VXOFHPPBCKKMNJ-SFHVURJKSA-N 0 0 344.430 3.156 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000779517419 1304579647 /nfs/dbraw/zinc/57/96/47/1304579647.db2.gz AUDBQNAGEIZVLG-VSACJYGBSA-N 0 0 331.318 3.062 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000779513072 1304579942 /nfs/dbraw/zinc/57/99/42/1304579942.db2.gz DDTAKXZPCYAFKA-QPBFKRLHSA-N 0 0 327.355 3.266 20 10 EGCDRN CCn1c2ccc(C)cc2nc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779545966 1304582797 /nfs/dbraw/zinc/58/27/97/1304582797.db2.gz VYSXPACFHSCDAU-RMKNXTFCSA-N 0 0 337.379 3.428 20 10 EGCDRN COC(=O)c1cccc(NNC(=S)Nc2ccc(Cl)cc2)c1 ZINC000779728846 1304596687 /nfs/dbraw/zinc/59/66/87/1304596687.db2.gz VZJMUGNMASUORS-UHFFFAOYSA-N 0 0 335.816 3.440 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCC=CO1 ZINC000780735441 1304731080 /nfs/dbraw/zinc/73/10/80/1304731080.db2.gz SFIXUIQFOJKOOD-SFHVURJKSA-N 0 0 331.460 3.365 20 10 EGCDRN CCOc1cccc(CN(C)c2cc(OC)c(OC)c(OC)c2)n1 ZINC000780774201 1304736829 /nfs/dbraw/zinc/73/68/29/1304736829.db2.gz HYKOMOKKJWVHLT-UHFFFAOYSA-N 0 0 332.400 3.143 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCOC2)c(C)n1-c1ccccn1 ZINC000780780775 1304737833 /nfs/dbraw/zinc/73/78/33/1304737833.db2.gz AAPNGNGZKCBFBF-GOEBONIOSA-N 0 0 327.428 3.034 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000780788919 1304739712 /nfs/dbraw/zinc/73/97/12/1304739712.db2.gz JAJFYTVMZQILQD-JKSUJKDBSA-N 0 0 331.460 3.106 20 10 EGCDRN COC[C@@H](CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)OC ZINC000781390016 1304823103 /nfs/dbraw/zinc/82/31/03/1304823103.db2.gz SETKVEZJPOJQOF-GOSISDBHSA-N 0 0 344.455 3.102 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)CCCCNC(=O)OC(C)(C)C ZINC000782010331 1304901356 /nfs/dbraw/zinc/90/13/56/1304901356.db2.gz BLTSMKGYXNXZFQ-UHFFFAOYSA-N 0 0 336.432 3.046 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccccc1O ZINC000783492903 1305099211 /nfs/dbraw/zinc/09/92/11/1305099211.db2.gz ATRBHVABCLYGFI-MRXNPFEDSA-N 0 0 326.440 3.075 20 10 EGCDRN C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000783653530 1305123528 /nfs/dbraw/zinc/12/35/28/1305123528.db2.gz CYFAGQMMTZICCI-LLVKDONJSA-N 0 0 332.327 3.157 20 10 EGCDRN Cc1cc(C(=O)N2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1cccc(Cl)c1 ZINC000783812366 1305148491 /nfs/dbraw/zinc/14/84/91/1305148491.db2.gz NWRZAQVDHMCDDN-IFXJQAMLSA-N 0 0 344.842 3.202 20 10 EGCDRN C[C@H]1C[C@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CO1 ZINC000784043262 1305181820 /nfs/dbraw/zinc/18/18/20/1305181820.db2.gz LWULILMHXYSZMG-RDJZCZTQSA-N 0 0 342.439 3.299 20 10 EGCDRN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CO1 ZINC000784368175 1305236297 /nfs/dbraw/zinc/23/62/97/1305236297.db2.gz WHZYIDJCWZUBSM-NVXWUHKLSA-N 0 0 330.472 3.497 20 10 EGCDRN CCC(CC)n1ccc(CN(C)c2ccc(OCC(=O)OC)cc2)n1 ZINC000784568241 1305259080 /nfs/dbraw/zinc/25/90/80/1305259080.db2.gz WYULFVMSNNXZIH-UHFFFAOYSA-N 0 0 345.443 3.432 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C12CCC(CC1)C2 ZINC000785087129 1305311356 /nfs/dbraw/zinc/31/13/56/1305311356.db2.gz XMCVQTKJGUFFSL-UHFFFAOYSA-N 0 0 328.456 3.062 20 10 EGCDRN Cc1c(NCc2c(O)cccc2Cl)cccc1N1CCNC1=O ZINC000785556397 1305377487 /nfs/dbraw/zinc/37/74/87/1305377487.db2.gz HVMYQUQJIJMBIE-UHFFFAOYSA-N 0 0 331.803 3.496 20 10 EGCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000785567296 1305380113 /nfs/dbraw/zinc/38/01/13/1305380113.db2.gz VKZYUEFJAYWOCO-AEFFLSMTSA-N 0 0 345.487 3.291 20 10 EGCDRN CC[C@H](Sc1ccccc1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000785928254 1305473073 /nfs/dbraw/zinc/47/30/73/1305473073.db2.gz XHZYMTKFFFKOLW-KRWDZBQOSA-N 0 0 346.404 3.395 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCc1ccc(F)c(F)c1 ZINC000786769054 1305625608 /nfs/dbraw/zinc/62/56/08/1305625608.db2.gz SIAJNOHMVYTUMN-UHFFFAOYSA-N 0 0 347.409 3.381 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC(CC)CC ZINC000786770065 1305626314 /nfs/dbraw/zinc/62/63/14/1305626314.db2.gz ORKAPOMBHKVCLK-UHFFFAOYSA-N 0 0 334.460 3.073 20 10 EGCDRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(O)c1O ZINC000787816146 1305802123 /nfs/dbraw/zinc/80/21/23/1305802123.db2.gz USHHFFYZOOPEMI-CQSZACIVSA-N 0 0 335.787 3.211 20 10 EGCDRN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788684827 1305997106 /nfs/dbraw/zinc/99/71/06/1305997106.db2.gz FOVYWSUPKGHSQM-GFCCVEGCSA-N 0 0 344.377 3.464 20 10 EGCDRN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894033563 1306185021 /nfs/dbraw/zinc/18/50/21/1306185021.db2.gz 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COc1ccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC000181037010 1294932791 /nfs/dbraw/zinc/93/27/91/1294932791.db2.gz FOWKTZCWUPTFTF-RMKNXTFCSA-N 0 0 327.380 3.087 20 10 EGCDRN Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)c(O)c1O ZINC000182294255 1295032911 /nfs/dbraw/zinc/03/29/11/1295032911.db2.gz FATPCWXHVWLZDS-CVEARBPZSA-N 0 0 327.380 3.056 20 10 EGCDRN Cc1cc(C)c(C)c(OCCC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000182511895 1295055270 /nfs/dbraw/zinc/05/52/70/1295055270.db2.gz NOKKQSCHWYUZAN-UHFFFAOYSA-N 0 0 329.396 3.108 20 10 EGCDRN Cc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(O)c1O ZINC000182857019 1295081575 /nfs/dbraw/zinc/08/15/75/1295081575.db2.gz WLSVHNOKDXDMJR-UHFFFAOYSA-N 0 0 342.351 3.119 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(C(C)(C)C)s1 ZINC000183433847 1295119169 /nfs/dbraw/zinc/11/91/69/1295119169.db2.gz ZVXHEQBSCHCVGE-JTQLQIEISA-N 0 0 334.441 3.213 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000183474896 1295122767 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ZINC000186375618 1295320402 /nfs/dbraw/zinc/32/04/02/1295320402.db2.gz OKQWQHMDVIIDFG-LXKVQUBZSA-N 0 0 329.421 3.451 20 10 EGCDRN COCCO[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000188009872 1295428968 /nfs/dbraw/zinc/42/89/68/1295428968.db2.gz ODGGHOZEMKMLDI-OAHLLOKOSA-N 0 0 348.468 3.033 20 10 EGCDRN Cc1cc(C(=O)NOC[C@H]2CCOC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000188309430 1295450160 /nfs/dbraw/zinc/45/01/60/1295450160.db2.gz HLSISRPBGZLDQZ-KRWDZBQOSA-N 0 0 342.439 3.409 20 10 EGCDRN CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC000189874533 1295549416 /nfs/dbraw/zinc/54/94/16/1295549416.db2.gz KGDSMGGKOFJOJN-MRXNPFEDSA-N 0 0 330.394 3.422 20 10 EGCDRN Cc1nc2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2o1 ZINC000190930945 1295630140 /nfs/dbraw/zinc/63/01/40/1295630140.db2.gz DLMVLTAMJQEQDY-JTQLQIEISA-N 0 0 341.367 3.300 20 10 EGCDRN COc1ccc(C[C@@H](C)CN(C)C(=O)c2cccc(O)c2O)cc1 ZINC000193149721 1295837039 /nfs/dbraw/zinc/83/70/39/1295837039.db2.gz FOMZFRXZBALUSA-CYBMUJFWSA-N 0 0 329.396 3.057 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CC(C)(C)S(=O)(=O)CCCOc1ccc(N2CCCC2)cc1 ZINC000871736755 1296508873 /nfs/dbraw/zinc/50/88/73/1296508873.db2.gz XVXKVWQGSIPRLF-UHFFFAOYSA-N 0 0 325.474 3.269 20 10 EGCDRN CN(C)c1ccc2cc(NC(=O)/C=C\c3cncc(F)c3)ccc2n1 ZINC000255712700 1296563583 /nfs/dbraw/zinc/56/35/83/1296563583.db2.gz AEJMCQJZPKGLIU-BAQGIRSFSA-N 0 0 336.370 3.487 20 10 EGCDRN CNS(=O)(=O)c1ccc(CNc2ccccc2NC(C)C)cc1 ZINC000871846689 1296563731 /nfs/dbraw/zinc/56/37/31/1296563731.db2.gz WOYNYUMAKVQWGX-UHFFFAOYSA-N 0 0 333.457 3.027 20 10 EGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])[C@H](O)c1ccccc1 ZINC000872132755 1296757136 /nfs/dbraw/zinc/75/71/36/1296757136.db2.gz KEDNWBJTINTGGX-SOVGHPHASA-N 0 0 343.423 3.342 20 10 EGCDRN Cc1cc(O)c(CN2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1C ZINC000305743606 1297040753 /nfs/dbraw/zinc/04/07/53/1297040753.db2.gz KDNQKUJBMQZCDZ-FUHWJXTLSA-N 0 0 347.480 3.395 20 10 EGCDRN Cc1cc(C(=O)CN2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1cccc(F)c1 ZINC000305820493 1297057065 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O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(C(F)(F)F)cc1 ZINC000588403749 1298056594 /nfs/dbraw/zinc/05/65/94/1298056594.db2.gz NMCOWMXRCQJUOR-YWEYNIOJSA-N 0 0 337.297 3.446 20 10 EGCDRN CN(CCOc1ccc(Cl)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403423 1298056742 /nfs/dbraw/zinc/05/67/42/1298056742.db2.gz JJLRCNWMEIVCHJ-OQFOIZHKSA-N 0 0 347.798 3.302 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCSCc1ccccc1F ZINC000588403417 1298057457 /nfs/dbraw/zinc/05/74/57/1298057457.db2.gz HUFZPYWGEGTAQN-VURMDHGXSA-N 0 0 347.411 3.300 20 10 EGCDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405073 1298058028 /nfs/dbraw/zinc/05/80/28/1298058028.db2.gz DPABMSMXHZAWNJ-KOTDBNOLSA-N 0 0 341.407 3.002 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(OCC(F)F)c1 ZINC000588404539 1298058047 /nfs/dbraw/zinc/05/80/47/1298058047.db2.gz XASKCNWELCUAIS-ALCCZGGFSA-N 0 0 349.333 3.071 20 10 EGCDRN O=C(Cn1ncsc1=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588532013 1298079767 /nfs/dbraw/zinc/07/97/67/1298079767.db2.gz ODNIQUCQAZSRDJ-UHFFFAOYSA-N 0 0 339.380 3.359 20 10 EGCDRN CCO[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588598028 1298091245 /nfs/dbraw/zinc/09/12/45/1298091245.db2.gz BTRBCSLVPKKFFQ-LECLMCCNSA-N 0 0 327.380 3.005 20 10 EGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000708155866 1298237374 /nfs/dbraw/zinc/23/73/74/1298237374.db2.gz FKUXWCXAPXOFKC-GZMMTYOYSA-N 0 0 334.641 3.465 20 10 EGCDRN CC1([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCOCC1 ZINC000708159542 1298237535 /nfs/dbraw/zinc/23/75/35/1298237535.db2.gz YQTUMUBUKAKRPZ-UHFFFAOYSA-N 0 0 334.641 3.467 20 10 EGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C1(CO)CCCC1 ZINC000708173843 1298236749 /nfs/dbraw/zinc/23/67/49/1298236749.db2.gz YDSKNCRBKOIMSQ-UHFFFAOYSA-N 0 0 334.641 3.203 20 10 EGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000708169320 1298238396 /nfs/dbraw/zinc/23/83/96/1298238396.db2.gz GDUGNUKTVWDOLA-SECBINFHSA-N 0 0 334.641 3.324 20 10 EGCDRN CC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])NC(=O)OC(C)(C)C ZINC000708483675 1298239074 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OSJWTNIMOLCURZ-KCQAQPDRSA-N 0 0 334.435 3.102 20 10 EGCDRN CCc1cnc(CN2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000753535265 1299966280 /nfs/dbraw/zinc/96/62/80/1299966280.db2.gz JXWIEFUIRZCLGQ-UHFFFAOYSA-N 0 0 331.485 3.426 20 10 EGCDRN CO[C@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1(C)C ZINC000753552977 1299972170 /nfs/dbraw/zinc/97/21/70/1299972170.db2.gz UXYXCBQALRKSDW-MSOLQXFVSA-N 0 0 347.503 3.486 20 10 EGCDRN CN(C)c1ccc(CN(C)c2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000753999509 1300062109 /nfs/dbraw/zinc/06/21/09/1300062109.db2.gz IOUGOIDXPWXBDG-UHFFFAOYSA-N 0 0 337.383 3.240 20 10 EGCDRN CC(=O)NC[C@@H](C)OC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000754614544 1300175805 /nfs/dbraw/zinc/17/58/05/1300175805.db2.gz PHBWBMRAKXYCHC-GFCCVEGCSA-N 0 0 348.830 3.429 20 10 EGCDRN Cc1cc(C(=O)NC2COC(C)(C)OC2)c(C)n1-c1ccccc1C ZINC000754647264 1300181048 /nfs/dbraw/zinc/18/10/48/1300181048.db2.gz ISMHMCZTHNRHAR-UHFFFAOYSA-N 0 0 342.439 3.284 20 10 EGCDRN Cc1cc(C(=O)COC(=O)[C@]2(C)CCOC2)c(C)n1-c1ccccc1 ZINC000755112158 1300284886 /nfs/dbraw/zinc/28/48/86/1300284886.db2.gz BCBVBTFTYDGAGB-HXUWFJFHSA-N 0 0 341.407 3.247 20 10 EGCDRN COC[C@H](C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000755220574 1300302998 /nfs/dbraw/zinc/30/29/98/1300302998.db2.gz NRDVNZRYBLOESY-GFCCVEGCSA-N 0 0 337.375 3.073 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)cc(F)c1[O-] ZINC000756430187 1300487913 /nfs/dbraw/zinc/48/79/13/1300487913.db2.gz JEPCEKCGYFMZKN-ZJUUUORDSA-N 0 0 338.320 3.205 20 10 EGCDRN Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756462472 1300497642 /nfs/dbraw/zinc/49/76/42/1300497642.db2.gz WVVDUPILZLKQNE-LBPRGKRZSA-N 0 0 334.366 3.059 20 10 EGCDRN C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756533457 1300516342 /nfs/dbraw/zinc/51/63/42/1300516342.db2.gz IAKZBTYPYRABBN-QWRGUYRKSA-N 0 0 333.259 3.070 20 10 EGCDRN CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756536187 1300516366 /nfs/dbraw/zinc/51/63/66/1300516366.db2.gz RPSNWVQETWZPFZ-GFCCVEGCSA-N 0 0 343.383 3.152 20 10 EGCDRN Cc1cc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])on1 ZINC000756544522 1300518459 /nfs/dbraw/zinc/51/84/59/1300518459.db2.gz JRNKJUSBSKSBMC-QMMMGPOBSA-N 0 0 329.169 3.441 20 10 EGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000756575822 1300525796 /nfs/dbraw/zinc/52/57/96/1300525796.db2.gz QOGWXTQSRORIQV-YMTOWFKASA-N 0 0 332.213 3.371 20 10 EGCDRN C[C@@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])C[C@H](C)O ZINC000756605732 1300530589 /nfs/dbraw/zinc/53/05/89/1300530589.db2.gz UQSOWDPDNNDEGL-KXUCPTDWSA-N 0 0 334.229 3.351 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(C)c(OC)c2)c1 ZINC000756604779 1300530921 /nfs/dbraw/zinc/53/09/21/1300530921.db2.gz FGSVBDHVEWHYRX-AWEZNQCLSA-N 0 0 343.423 3.389 20 10 EGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C12CCC2 ZINC000756612644 1300531358 /nfs/dbraw/zinc/53/13/58/1300531358.db2.gz LWHYIPJXSTZHRV-CSMYWGQOSA-N 0 0 333.428 3.177 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756614654 1300532495 /nfs/dbraw/zinc/53/24/95/1300532495.db2.gz UFNFZQOIOIKHQD-OUAUKWLOSA-N 0 0 345.256 3.427 20 10 EGCDRN CC[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCCO1 ZINC000756738985 1300556999 /nfs/dbraw/zinc/55/69/99/1300556999.db2.gz ZIUFLDNQDVTHIT-OALUTQOASA-N 0 0 345.487 3.384 20 10 EGCDRN C[C@@H]1C[C@@H](Nc2ccc(N3CCOCC3)cn2)c2c1c(F)ccc2O ZINC000756801188 1300568635 /nfs/dbraw/zinc/56/86/35/1300568635.db2.gz IYZCNEBEQXBWQS-IUODEOHRSA-N 0 0 343.402 3.423 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000756888705 1300584668 /nfs/dbraw/zinc/58/46/68/1300584668.db2.gz DQSRWBRBBORUSS-MRXNPFEDSA-N 0 0 340.471 3.019 20 10 EGCDRN C[C@@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000757651687 1300704654 /nfs/dbraw/zinc/70/46/54/1300704654.db2.gz CXOKVDDKULCDJO-OWCLPIDISA-N 0 0 331.460 3.167 20 10 EGCDRN C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000757659824 1300705524 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CCc1cc(C(=O)NCc2ccc(N(CC)CC)c(F)c2)c(C)nn1 ZINC000759376356 1301077015 /nfs/dbraw/zinc/07/70/15/1301077015.db2.gz JLKVXXVAYHAIHU-UHFFFAOYSA-N 0 0 344.434 3.263 20 10 EGCDRN CC(C)(C)Oc1cccc(COC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000759590804 1301123668 /nfs/dbraw/zinc/12/36/68/1301123668.db2.gz XPYRAHNYDKQJLB-NTMALXAHSA-N 0 0 343.379 3.427 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC34CCC4)cc2F)C[C@H](C)O1 ZINC000759717449 1301147757 /nfs/dbraw/zinc/14/77/57/1301147757.db2.gz HIUGPVZFDUQZED-LZWOXQAQSA-N 0 0 346.446 3.246 20 10 EGCDRN Cc1cc(C(=O)NC[C@@H]2COC(C)(C)O2)c(C)n1-c1ccc(F)cc1 ZINC000760185359 1301231863 /nfs/dbraw/zinc/23/18/63/1301231863.db2.gz YYVYUUDIXQPBAG-MRXNPFEDSA-N 0 0 346.402 3.115 20 10 EGCDRN COc1nc(C)cc(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000760577695 1301302310 /nfs/dbraw/zinc/30/23/10/1301302310.db2.gz ZXHITGVDSMLSFB-UHFFFAOYSA-N 0 0 325.368 3.299 20 10 EGCDRN CC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(F)F ZINC000881011483 1301390659 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/nfs/dbraw/zinc/97/73/46/1302977346.db2.gz JVMYRINTYPWOGC-UHFFFAOYSA-N 0 0 338.411 3.004 20 10 EGCDRN CS[C@@H](CO)[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000768863224 1303000326 /nfs/dbraw/zinc/00/03/26/1303000326.db2.gz BYZFPBGEPORCMX-KDOFPFPSSA-N 0 0 346.496 3.245 20 10 EGCDRN Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3c(F)cccc3F)C1)[C@H](O)CO2 ZINC000768909112 1303010970 /nfs/dbraw/zinc/01/09/70/1303010970.db2.gz GXIRWFOZFLOKKH-PIGZYNQJSA-N 0 0 347.361 3.086 20 10 EGCDRN [O-]c1c(Br)cccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000769005178 1303031375 /nfs/dbraw/zinc/03/13/75/1303031375.db2.gz YIXDZXNYQBGGCB-UHFFFAOYSA-N 0 0 336.233 3.257 20 10 EGCDRN Cc1cc(C(=O)NCC2(C)OCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000769020204 1303032721 /nfs/dbraw/zinc/03/27/21/1303032721.db2.gz ASUKWRLLEANAGZ-UHFFFAOYSA-N 0 0 348.830 3.240 20 10 EGCDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccccc1O ZINC000769357597 1303098922 /nfs/dbraw/zinc/09/89/22/1303098922.db2.gz MUXKVRRPVPEVHQ-UHFFFAOYSA-N 0 0 335.407 3.054 20 10 EGCDRN CC(C)(C)n1ncc(C(=O)NCc2ccccc2O)c1C(F)(F)F ZINC000769365267 1303100523 /nfs/dbraw/zinc/10/05/23/1303100523.db2.gz OPTBIDYTPVMATE-UHFFFAOYSA-N 0 0 341.333 3.293 20 10 EGCDRN Cc1cc(C(=O)N[C@H](CCO)C2CC2)c(C)n1-c1ccccc1C ZINC000769416019 1303109870 /nfs/dbraw/zinc/10/98/70/1303109870.db2.gz JGNMJQQNINICNK-GOSISDBHSA-N 0 0 326.440 3.293 20 10 EGCDRN CC(C)OC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000769801288 1303177186 /nfs/dbraw/zinc/17/71/86/1303177186.db2.gz AFUDLNOSJWWVQL-MRXNPFEDSA-N 0 0 337.460 3.021 20 10 EGCDRN CC(C)C(NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000770414895 1303264936 /nfs/dbraw/zinc/26/49/36/1303264936.db2.gz IKIZQGDIJVBJIP-UHFFFAOYSA-N 0 0 347.503 3.345 20 10 EGCDRN Cc1cc(C(=O)N[C@@H](CO)C2CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000771016045 1303347310 /nfs/dbraw/zinc/34/73/10/1303347310.db2.gz XWLXMLQQIJMUSI-IBGZPJMESA-N 0 0 326.440 3.212 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2sc(NC3CC3)nc2C)c1 ZINC000771012924 1303347762 /nfs/dbraw/zinc/34/77/62/1303347762.db2.gz OOZMVNHEKMGKLK-SECBINFHSA-N 0 0 347.440 3.231 20 10 EGCDRN C/C=C/C[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000771609605 1303424690 /nfs/dbraw/zinc/42/46/90/1303424690.db2.gz DXZWITLYNZADSI-RTRPANQVSA-N 0 0 326.440 3.459 20 10 EGCDRN C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1c([O-])cccc1F ZINC000886507312 1303479962 /nfs/dbraw/zinc/47/99/62/1303479962.db2.gz DZZXTGXQGQPKFT-CQSZACIVSA-N 0 0 329.419 3.242 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000772118939 1303489171 /nfs/dbraw/zinc/48/91/71/1303489171.db2.gz FYAOGNJKCJOBCO-AEFFLSMTSA-N 0 0 333.476 3.064 20 10 EGCDRN C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1c([O-])cccc1F ZINC000886531189 1303489366 /nfs/dbraw/zinc/48/93/66/1303489366.db2.gz XVARSLSPYMCSNY-SECBINFHSA-N 0 0 344.312 3.103 20 10 EGCDRN Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1c(O)cccc1F ZINC000886586101 1303513695 /nfs/dbraw/zinc/51/36/95/1303513695.db2.gz KWNNNZOEIRNDKJ-CYBMUJFWSA-N 0 0 331.391 3.244 20 10 EGCDRN COC(=O)C[C@H]1CCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 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WVDYXHGRDOWFNB-SOFGYWHQSA-N 0 0 328.364 3.350 20 10 EGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000773001614 1303604779 /nfs/dbraw/zinc/60/47/79/1303604779.db2.gz VONVWIDFCADTQT-KGLIPLIRSA-N 0 0 349.475 3.233 20 10 EGCDRN Cc1cc(C)n([C@H](C)CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773015641 1303608375 /nfs/dbraw/zinc/60/83/75/1303608375.db2.gz RIBSBSFFFACEDI-HZPDHXFCSA-N 0 0 328.460 3.394 20 10 EGCDRN C[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000773020635 1303610233 /nfs/dbraw/zinc/61/02/33/1303610233.db2.gz PUHJATXKJMSPSV-MRXNPFEDSA-N 0 0 348.450 3.488 20 10 EGCDRN COc1cccc(OCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773025660 1303610249 /nfs/dbraw/zinc/61/02/49/1303610249.db2.gz QRESUPGYIHWYMS-AWEZNQCLSA-N 0 0 328.412 3.017 20 10 EGCDRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000773082837 1303621392 /nfs/dbraw/zinc/62/13/92/1303621392.db2.gz BIRZQPBFNWRCTK-CYBMUJFWSA-N 0 0 336.432 3.240 20 10 EGCDRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000773088109 1303622792 /nfs/dbraw/zinc/62/27/92/1303622792.db2.gz MIPKAWFXXBUXPQ-AWEZNQCLSA-N 0 0 348.468 3.109 20 10 EGCDRN C[C@H](NC(=O)NCCOc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773188781 1303639804 /nfs/dbraw/zinc/63/98/04/1303639804.db2.gz SPMVUEXMUSBQGD-AWEZNQCLSA-N 0 0 345.418 3.331 20 10 EGCDRN Cc1nc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000773213884 1303644685 /nfs/dbraw/zinc/64/46/85/1303644685.db2.gz SWCILOIRGHJKBE-GFCCVEGCSA-N 0 0 332.473 3.120 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)CC[C@@H](C)SC)CC2)cc1 ZINC000773296989 1303656690 /nfs/dbraw/zinc/65/66/90/1303656690.db2.gz KLKVCNPIOULRIB-CQSZACIVSA-N 0 0 336.501 3.312 20 10 EGCDRN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000773327480 1303662862 /nfs/dbraw/zinc/66/28/62/1303662862.db2.gz RVTOBUJHFNVFBQ-VIBAHUMZSA-N 0 0 345.487 3.316 20 10 EGCDRN Cc1ncc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773396772 1303674336 /nfs/dbraw/zinc/67/43/36/1303674336.db2.gz ICZQHBLEMDTYHS-GFCCVEGCSA-N 0 0 332.473 3.120 20 10 EGCDRN C[C@H](NC(=O)N[C@@H](C)c1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000773438916 1303681038 /nfs/dbraw/zinc/68/10/38/1303681038.db2.gz ZUGOVTIRRSMUCC-STQMWFEESA-N 0 0 330.407 3.408 20 10 EGCDRN C[C@H](NC(=O)NCC1([C@@H](C)CCO)CCC1)c1ccc(N(C)C)cc1 ZINC000773436458 1303681192 /nfs/dbraw/zinc/68/11/92/1303681192.db2.gz RUWIRAQZCHVKIO-HOTGVXAUSA-N 0 0 347.503 3.302 20 10 EGCDRN C[C@H](NC(=O)NC[C@H](O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773611224 1303713813 /nfs/dbraw/zinc/71/38/13/1303713813.db2.gz HJXFWFJVEXYONZ-KSSFIOAISA-N 0 0 333.476 3.054 20 10 EGCDRN C[C@H](NC(=O)NC[C@](C)(O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773617111 1303714975 /nfs/dbraw/zinc/71/49/75/1303714975.db2.gz CFSJEPBCTHBZNS-YWZLYKJASA-N 0 0 341.455 3.021 20 10 EGCDRN CSc1ccccc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773756618 1303735450 /nfs/dbraw/zinc/73/54/50/1303735450.db2.gz KRNCEXNWVSSBQV-GFCCVEGCSA-N 0 0 331.437 3.110 20 10 EGCDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000773846611 1303745974 /nfs/dbraw/zinc/74/59/74/1303745974.db2.gz MVFAYRMMSRTVJK-OAHLLOKOSA-N 0 0 339.439 3.185 20 10 EGCDRN O=C(NCc1ccccc1O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000774066452 1303770324 /nfs/dbraw/zinc/77/03/24/1303770324.db2.gz TZIPZZAJVQHNLI-UHFFFAOYSA-N 0 0 330.693 3.389 20 10 EGCDRN COC(=O)c1cc(/C=C2\C(=O)Nc3cc(Br)ccc32)c[nH]1 ZINC000774555985 1303826418 /nfs/dbraw/zinc/82/64/18/1303826418.db2.gz ANUFLZQBGXYXBB-WCIBSUBMSA-N 0 0 347.168 3.057 20 10 EGCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(C)nc2)cc1 ZINC000774858946 1303868601 /nfs/dbraw/zinc/86/86/01/1303868601.db2.gz PPTFZPBZAMGTMU-UHFFFAOYSA-N 0 0 347.484 3.057 20 10 EGCDRN COc1c(O)c(CNc2ccc(NC(C)=O)c(C)c2)ccc1[N+](=O)[O-] ZINC000774936555 1303880711 /nfs/dbraw/zinc/88/07/11/1303880711.db2.gz UXJPXGVNUDDWMK-UHFFFAOYSA-N 0 0 345.355 3.188 20 10 EGCDRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C1=CC(=O)CS1 ZINC000774970106 1303883591 /nfs/dbraw/zinc/88/35/91/1303883591.db2.gz VHMZMWCVPZTBEP-UHFFFAOYSA-N 0 0 335.335 3.385 20 10 EGCDRN COc1c([O-])c(C[NH2+]C(C)(C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000775024451 1303890821 /nfs/dbraw/zinc/89/08/21/1303890821.db2.gz AMDXCHPASSEDBC-UHFFFAOYSA-N 0 0 334.347 3.473 20 10 EGCDRN O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(Br)c2[O-])cs1 ZINC000775147452 1303916325 /nfs/dbraw/zinc/91/63/25/1303916325.db2.gz SGBBMIOXYURNOY-UHFFFAOYSA-N 0 0 343.202 3.414 20 10 EGCDRN CCOc1ccc(CNc2ccc(C(=O)NC3CC3)cc2)c(O)c1 ZINC000775177142 1303920534 /nfs/dbraw/zinc/92/05/34/1303920534.db2.gz OCLKFDVMKOBBLF-UHFFFAOYSA-N 0 0 326.396 3.295 20 10 EGCDRN CCC[C@]1(CO)CCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000775176219 1303920568 /nfs/dbraw/zinc/92/05/68/1303920568.db2.gz MFWOPNTYUDACMK-OAHLLOKOSA-N 0 0 328.250 3.282 20 10 EGCDRN CCCCc1noc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775255469 1303930853 /nfs/dbraw/zinc/93/08/53/1303930853.db2.gz RDTWDIFNJWLVLV-OAHLLOKOSA-N 0 0 344.459 3.100 20 10 EGCDRN CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 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/nfs/dbraw/zinc/82/58/75/455825875.db2.gz FTQUPRMLJUNFJP-AZUAARDMSA-N 0 0 344.499 3.338 20 10 EGCDRN COC[C@H](NCc1ccc(N2CCC(OC)CC2)cc1)c1ccco1 ZINC000294865006 455829593 /nfs/dbraw/zinc/82/95/93/455829593.db2.gz AMHIIYGHSQJOGX-IBGZPJMESA-N 0 0 344.455 3.372 20 10 EGCDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1c(F)ccc(O)c1[O-] ZINC000294910717 455832282 /nfs/dbraw/zinc/83/22/82/455832282.db2.gz SGJGVDPYFAVGBC-ZDUSSCGKSA-N 0 0 347.342 3.047 20 10 EGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCCCO2)cc1 ZINC000269329740 455836638 /nfs/dbraw/zinc/83/66/38/455836638.db2.gz CQOGSWOJTUQLBE-IBGZPJMESA-N 0 0 342.439 3.444 20 10 EGCDRN COc1c([O-])c(C[NH2+]C[C@H](C)Oc2ccccc2C)ccc1[N+](=O)[O-] ZINC000278465718 455836696 /nfs/dbraw/zinc/83/66/96/455836696.db2.gz GFYBPDBSZYYBJG-ZDUSSCGKSA-N 0 0 346.383 3.175 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3cc(C)cs3)CC2)cc1F ZINC000295035488 455836802 /nfs/dbraw/zinc/83/68/02/455836802.db2.gz FOIFIRZTQQIKJP-UHFFFAOYSA-N 0 0 334.416 3.167 20 10 EGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000272072001 455839326 /nfs/dbraw/zinc/83/93/26/455839326.db2.gz LMQQOXLVGOPNEB-OAHLLOKOSA-N 0 0 345.830 3.124 20 10 EGCDRN COC(=O)c1ccc(CSc2ncc(C(=O)OC)s2)s1 ZINC000295151023 455841137 /nfs/dbraw/zinc/84/11/37/455841137.db2.gz FGOZFBGCUGUKJX-UHFFFAOYSA-N 0 0 329.424 3.070 20 10 EGCDRN CC(C)(C)NS(=O)(=O)c1cccc(NCc2ccccc2O)c1 ZINC000285415822 455841179 /nfs/dbraw/zinc/84/11/79/455841179.db2.gz DKIWTHBIKWFEGK-UHFFFAOYSA-N 0 0 334.441 3.081 20 10 EGCDRN CO[C@@H](CS(=O)(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 ZINC000295151461 455841276 /nfs/dbraw/zinc/84/12/76/455841276.db2.gz BSYLERSSLICIAD-KRWDZBQOSA-N 0 0 349.452 3.447 20 10 EGCDRN CN1C(=O)/C(=C\c2cccc(C(=O)OC(C)(C)C)c2)SC1=S ZINC000272082882 455842235 /nfs/dbraw/zinc/84/22/35/455842235.db2.gz GHPYSUUKHFRPNB-FMIVXFBMSA-N 0 0 335.450 3.473 20 10 EGCDRN COC(=O)c1cnc(SCC(=O)C2(c3ccccc3)CC2)s1 ZINC000295272234 455844379 /nfs/dbraw/zinc/84/43/79/455844379.db2.gz JSZPFFWTCNNWPV-UHFFFAOYSA-N 0 0 333.434 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CCn1ccnc1[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000281808261 456327357 /nfs/dbraw/zinc/32/73/57/456327357.db2.gz NGGKUIYLIWOVPN-HEWZJLJBSA-N 0 0 341.411 3.081 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc(C(F)(F)F)n1 ZINC000298218003 456394803 /nfs/dbraw/zinc/39/48/03/456394803.db2.gz VLPOGUMFRUZZIS-UHFFFAOYSA-N 0 0 339.317 3.148 20 10 EGCDRN CC(=O)OCCCc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000276320857 456446082 /nfs/dbraw/zinc/44/60/82/456446082.db2.gz WRPNZWZEZIYNGU-UHFFFAOYSA-N 0 0 343.379 3.229 20 10 EGCDRN CCc1nnc(CN2CCCc3cc(OC(F)(F)F)ccc32)o1 ZINC000298481738 456469527 /nfs/dbraw/zinc/46/95/27/456469527.db2.gz UYPQHSZWAFGOHT-UHFFFAOYSA-N 0 0 327.306 3.483 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)CCCC(=O)NCCC ZINC000282531325 456543335 /nfs/dbraw/zinc/54/33/35/456543335.db2.gz QKESTZOASLMJSM-UHFFFAOYSA-N 0 0 334.460 3.217 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)NCCc2ccccn2)C2CC2)cc1 ZINC000298889809 456564055 /nfs/dbraw/zinc/56/40/55/456564055.db2.gz YAZHXNVXAKLHRS-UHFFFAOYSA-N 0 0 338.455 3.064 20 10 EGCDRN CCO[C@@H](C)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298944860 456574556 /nfs/dbraw/zinc/57/45/56/456574556.db2.gz DTOAUEHPAPCNOM-HNNXBMFYSA-N 0 0 330.428 3.299 20 10 EGCDRN Cc1ccc(O)c(CNc2cccc(N3C(=O)CCNC3=O)c2C)c1 ZINC000282666101 456586378 /nfs/dbraw/zinc/58/63/78/456586378.db2.gz MIXPNWDBQSPNAS-UHFFFAOYSA-N 0 0 339.395 3.067 20 10 EGCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCO1 ZINC000291292350 456594360 /nfs/dbraw/zinc/59/43/60/456594360.db2.gz BOLDQUOVWHXAHR-GDBMZVCRSA-N 0 0 344.459 3.313 20 10 EGCDRN CCc1ccsc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000299066072 456595983 /nfs/dbraw/zinc/59/59/83/456595983.db2.gz QBTDDJGEULJQOK-UHFFFAOYSA-N 0 0 344.480 3.419 20 10 EGCDRN Cc1nnc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000299074411 456600134 /nfs/dbraw/zinc/60/01/34/456600134.db2.gz YRVHAXKOZBMJJW-UHFFFAOYSA-N 0 0 333.461 3.355 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1[O-] ZINC000276901134 456615455 /nfs/dbraw/zinc/61/54/55/456615455.db2.gz JBOCAXPLTBJJKR-LLVKDONJSA-N 0 0 346.377 3.413 20 10 EGCDRN CCOc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000299259212 456643392 /nfs/dbraw/zinc/64/33/92/456643392.db2.gz SKHSZYNBEQGIFH-UHFFFAOYSA-N 0 0 341.455 3.493 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000283021041 456692126 /nfs/dbraw/zinc/69/21/26/456692126.db2.gz POJOJAGNVQSIMF-UHFFFAOYSA-N 0 0 343.427 3.408 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC1=CCCCC1 ZINC000283131321 456717914 /nfs/dbraw/zinc/71/79/14/456717914.db2.gz BACOCMFQAFZGQQ-UHFFFAOYSA-N 0 0 344.455 3.138 20 10 EGCDRN Oc1c(Br)cccc1CNc1cc(N2CCCC2)ncn1 ZINC000277289386 456763363 /nfs/dbraw/zinc/76/33/63/456763363.db2.gz ASHVPEIJIAFULG-UHFFFAOYSA-N 0 0 349.232 3.157 20 10 EGCDRN Cc1noc2ncc(C(=O)NCc3c(C)c4ccccc4n3C)cc12 ZINC000348658546 456804039 /nfs/dbraw/zinc/80/40/39/456804039.db2.gz FNKZIOBAIXWOFM-UHFFFAOYSA-N 0 0 334.379 3.261 20 10 EGCDRN CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000277395642 456809081 /nfs/dbraw/zinc/80/90/81/456809081.db2.gz JMVSVVXRORVLIS-UHFFFAOYSA-N 0 0 343.402 3.122 20 10 EGCDRN Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCOCC2)cc1 ZINC000301164455 456810747 /nfs/dbraw/zinc/81/07/47/456810747.db2.gz IFHHJMSYPVHFSY-UHFFFAOYSA-N 0 0 327.384 3.352 20 10 EGCDRN Cc1nc(Cl)cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301176267 456814829 /nfs/dbraw/zinc/81/48/29/456814829.db2.gz ZJVAVNVDTHSUKW-GFCCVEGCSA-N 0 0 332.835 3.448 20 10 EGCDRN CCN(CC)c1ccc(CNc2nnnn2-c2ccccc2)cc1F ZINC000301194510 456819348 /nfs/dbraw/zinc/81/93/48/456819348.db2.gz IZTJDGSZCIBKBO-UHFFFAOYSA-N 0 0 340.406 3.260 20 10 EGCDRN COCCC(C)(C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349945691 457117662 /nfs/dbraw/zinc/11/76/62/457117662.db2.gz NXEOKCZHTQDJAJ-UHFFFAOYSA-N 0 0 331.460 3.349 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cccc(C)c1C ZINC000351657493 457308534 /nfs/dbraw/zinc/30/85/34/457308534.db2.gz UESQUDHOAVQGNU-UHFFFAOYSA-N 0 0 349.434 3.358 20 10 EGCDRN COc1cnc(NC(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000351830415 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COc1cc(C)cc(CN2CCN([C@@H](C)c3nccs3)CC2)c1O ZINC000184902904 1295228231 /nfs/dbraw/zinc/22/82/31/1295228231.db2.gz OJHLPISNWGPXQS-AWEZNQCLSA-N 0 0 347.484 3.045 20 10 EGCDRN C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185342105 1295255744 /nfs/dbraw/zinc/25/57/44/1295255744.db2.gz LUAQJUORKYZIMB-GFCCVEGCSA-N 0 0 326.412 3.439 20 10 EGCDRN O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(O)c1O ZINC000185821572 1295288849 /nfs/dbraw/zinc/28/88/49/1295288849.db2.gz PTHYZEMWUGUCNN-UHFFFAOYSA-N 0 0 340.404 3.194 20 10 EGCDRN Cc1ccc(O)c(CNc2nnc([C@@H]3COc4ccccc4O3)o2)c1 ZINC000185897222 1295292089 /nfs/dbraw/zinc/29/20/89/1295292089.db2.gz VETZAANYEWFOEX-INIZCTEOSA-N 0 0 339.351 3.208 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2cccs2)on1 ZINC000186428055 1295326018 /nfs/dbraw/zinc/32/60/18/1295326018.db2.gz PNIWPUSARHNDFZ-SNVBAGLBSA-N 0 0 344.392 3.175 20 10 EGCDRN COc1ccc(F)cc1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000186462608 1295329391 /nfs/dbraw/zinc/32/93/91/1295329391.db2.gz 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ZINC000756379771 1300479236 /nfs/dbraw/zinc/47/92/36/1300479236.db2.gz BPFVPKSGGFCOQI-RISCZKNCSA-N 0 0 336.407 3.290 20 10 EGCDRN CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC(C)C ZINC000756381482 1300480383 /nfs/dbraw/zinc/48/03/83/1300480383.db2.gz LWBVAOJIICAJNW-AAEUAGOBSA-N 0 0 344.402 3.482 20 10 EGCDRN C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756405172 1300484788 /nfs/dbraw/zinc/48/47/88/1300484788.db2.gz XQPXKVYOOULSOB-UWVGGRQHSA-N 0 0 342.212 3.230 20 10 EGCDRN Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756460497 1300496961 /nfs/dbraw/zinc/49/69/61/1300496961.db2.gz PZHLDMJXYIQQMY-GOEBONIOSA-N 0 0 333.403 3.239 20 10 EGCDRN C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc(F)cc(F)c1[O-] ZINC000756483828 1300503315 /nfs/dbraw/zinc/50/33/15/1300503315.db2.gz SEJLEQWLZABNCD-NSHDSACASA-N 0 0 346.377 3.413 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756491718 1300506149 /nfs/dbraw/zinc/50/61/49/1300506149.db2.gz YDWVMAYRUBGBKZ-CYBMUJFWSA-N 0 0 338.367 3.337 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000756535968 1300516125 /nfs/dbraw/zinc/51/61/25/1300516125.db2.gz SWPBKDDYGDXWPB-ONGXEEELSA-N 0 0 343.240 3.181 20 10 EGCDRN COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756531817 1300516354 /nfs/dbraw/zinc/51/63/54/1300516354.db2.gz AZJDKYJROGLWKD-LBPRGKRZSA-N 0 0 331.372 3.172 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756543679 1300519062 /nfs/dbraw/zinc/51/90/62/1300519062.db2.gz HHHDKHCVSOMJCL-UWVGGRQHSA-N 0 0 343.240 3.181 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2sc(C)nc2C)c1 ZINC000756556323 1300521693 /nfs/dbraw/zinc/52/16/93/1300521693.db2.gz WHHUMHSFCITEIH-JTQLQIEISA-N 0 0 334.441 3.145 20 10 EGCDRN C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000756618285 1300531951 /nfs/dbraw/zinc/53/19/51/1300531951.db2.gz RZDIVLFDMXUFFS-GHMZBOCLSA-N 0 0 345.256 3.429 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC000756575250 1300525366 /nfs/dbraw/zinc/52/53/66/1300525366.db2.gz ODAIVHLHQHRWTI-MNOVXSKESA-N 0 0 344.371 3.203 20 10 EGCDRN CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756586745 1300526891 /nfs/dbraw/zinc/52/68/91/1300526891.db2.gz UCUJUFDTTSOAAB-UFBFGSQYSA-N 0 0 336.657 3.476 20 10 EGCDRN COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756607665 1300530936 /nfs/dbraw/zinc/53/09/36/1300530936.db2.gz GZVVLSYBSXXYQU-OLZOCXBDSA-N 0 0 346.383 3.427 20 10 EGCDRN Cc1cccn2cc(CC[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])nc12 ZINC000756626211 1300535724 /nfs/dbraw/zinc/53/57/24/1300535724.db2.gz ATFKVMYOBJRWOV-ZDUSSCGKSA-N 0 0 340.383 3.150 20 10 EGCDRN C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756659845 1300543856 /nfs/dbraw/zinc/54/38/56/1300543856.db2.gz GVOMHUAYRYXRFZ-ATZCPNFKSA-N 0 0 346.652 3.396 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2)c1 ZINC000756704243 1300549937 /nfs/dbraw/zinc/54/99/37/1300549937.db2.gz IVIXVFJSAOSRSU-UONOGXRCSA-N 0 0 329.396 3.297 20 10 EGCDRN COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756703046 1300550692 /nfs/dbraw/zinc/55/06/92/1300550692.db2.gz DWELTHBRTYTHSJ-ABAIWWIYSA-N 0 0 344.367 3.483 20 10 EGCDRN Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])C2=O)cc1 ZINC000756734751 1300556509 /nfs/dbraw/zinc/55/65/09/1300556509.db2.gz YSZPZUIGNDPSHV-YVEFUNNKSA-N 0 0 346.377 3.435 20 10 EGCDRN CC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCCO1 ZINC000756738983 1300557018 /nfs/dbraw/zinc/55/70/18/1300557018.db2.gz ZIUFLDNQDVTHIT-MOPGFXCFSA-N 0 0 345.487 3.384 20 10 EGCDRN Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)[n-]2)c(O)c1 ZINC000756742362 1300558179 /nfs/dbraw/zinc/55/81/79/1300558179.db2.gz LABHLPNPUWMJGU-GFCCVEGCSA-N 0 0 326.375 3.476 20 10 EGCDRN Cc1cc(C(=O)CN2CC[C@@]3(CCOC3)C2)c(C)n1-c1ccccc1 ZINC000756900684 1300585922 /nfs/dbraw/zinc/58/59/22/1300585922.db2.gz XGJONBFMUUTDBW-OAQYLSRUSA-N 0 0 338.451 3.389 20 10 EGCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000757656561 1300704526 /nfs/dbraw/zinc/70/45/26/1300704526.db2.gz KADXNIBNSCUJEB-LKFCYVNXSA-N 0 0 349.333 3.241 20 10 EGCDRN Cc1ccc(C(=O)OCc2cnn(Cc3ccccc3)c2)c(O)c1O ZINC000757696653 1300712161 /nfs/dbraw/zinc/71/21/61/1300712161.db2.gz IIUHZHFHCNTDRW-UHFFFAOYSA-N 0 0 338.363 3.008 20 10 EGCDRN COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000757801700 1300735841 /nfs/dbraw/zinc/73/58/41/1300735841.db2.gz WRKKHYJMQNMROE-BLLLJJGKSA-N 0 0 329.799 3.396 20 10 EGCDRN Cc1ccc(-c2nc(COC(=O)c3cccc(O)c3O)cs2)o1 ZINC000758547764 1300909800 /nfs/dbraw/zinc/90/98/00/1300909800.db2.gz NLZXMQYTNXWECA-UHFFFAOYSA-N 0 0 331.349 3.480 20 10 EGCDRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O ZINC000758558938 1300910774 /nfs/dbraw/zinc/91/07/74/1300910774.db2.gz OMLHQEHYJJEARH-SNVBAGLBSA-N 0 0 349.770 3.244 20 10 EGCDRN Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cccc(O)c3O)o2)c1 ZINC000758562602 1300912059 /nfs/dbraw/zinc/91/20/59/1300912059.db2.gz SPENTXVAWYECJL-LLVKDONJSA-N 0 0 340.335 3.374 20 10 EGCDRN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000758782793 1300955139 /nfs/dbraw/zinc/95/51/39/1300955139.db2.gz YQQFQWCIKNBXAS-UHFFFAOYSA-N 0 0 339.800 3.357 20 10 EGCDRN CCc1nnc(C)cc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000758850407 1300965458 /nfs/dbraw/zinc/96/54/58/1300965458.db2.gz BDBFOUHFSYEKDF-UHFFFAOYSA-N 0 0 340.471 3.466 20 10 EGCDRN Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cs1 ZINC000880641515 1301202072 /nfs/dbraw/zinc/20/20/72/1301202072.db2.gz QIRBPRISDTVOBJ-UHFFFAOYSA-N 0 0 331.441 3.215 20 10 EGCDRN CN(C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C1CC(O)C1 ZINC000760099516 1301220196 /nfs/dbraw/zinc/22/01/96/1301220196.db2.gz BHNJISJIEGRNQF-UHFFFAOYSA-N 0 0 345.487 3.120 20 10 EGCDRN CCCCn1ncc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1CC ZINC000760456356 1301274230 /nfs/dbraw/zinc/27/42/30/1301274230.db2.gz 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/nfs/dbraw/zinc/04/56/65/1322045665.db2.gz AMMSDNUPFXQSEM-UHFFFAOYSA-N 0 0 331.416 3.105 20 10 EGCDRN CCOC(=O)CN(Cc1ccccc1O)Cc1cccc(CC)c1O ZINC000848918333 1322046485 /nfs/dbraw/zinc/04/64/85/1322046485.db2.gz WIYAHVNFRAEKSQ-UHFFFAOYSA-N 0 0 343.423 3.226 20 10 EGCDRN CC(C)(C)C(=O)N1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000848925691 1322047854 /nfs/dbraw/zinc/04/78/54/1322047854.db2.gz CIAJOBUZXFFYFW-UHFFFAOYSA-N 0 0 342.842 3.311 20 10 EGCDRN CO[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000919593682 1322084065 /nfs/dbraw/zinc/08/40/65/1322084065.db2.gz JEGMAQAVPJHDND-HNNXBMFYSA-N 0 0 329.396 3.163 20 10 EGCDRN CN(C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000919791960 1322107139 /nfs/dbraw/zinc/10/71/39/1322107139.db2.gz KMZQSDUAQTYJTI-UHFFFAOYSA-N 0 0 343.402 3.008 20 10 EGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCC1CCC1 ZINC000849363338 1322117673 /nfs/dbraw/zinc/11/76/73/1322117673.db2.gz JFDZETGLCUDYSO-UHFFFAOYSA-N 0 0 336.819 3.390 20 10 EGCDRN O=Cc1c[nH]nc1C=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920070397 1322133732 /nfs/dbraw/zinc/13/37/32/1322133732.db2.gz RAPWGAMJTMBOSA-GQCTYLIASA-N 0 0 326.356 3.291 20 10 EGCDRN COC[C@@H]1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000859512082 1329004482 /nfs/dbraw/zinc/00/44/82/1329004482.db2.gz GXXVLRPGBVZURK-MRXNPFEDSA-N 0 0 340.423 3.015 20 10 EGCDRN CN(C)C(=O)Cc1nc(CSc2ncc(Cl)s2)cs1 ZINC000849998287 1322178520 /nfs/dbraw/zinc/17/85/20/1322178520.db2.gz DAGPRQUQLUHWBE-UHFFFAOYSA-N 0 0 333.891 3.176 20 10 EGCDRN COc1cc(CNc2cccc(C(N)=O)c2)c(O)c(C(C)(C)C)c1 ZINC000850201540 1322205953 /nfs/dbraw/zinc/20/59/53/1322205953.db2.gz LUXYBGGHSLHRHS-UHFFFAOYSA-N 0 0 328.412 3.409 20 10 EGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850355576 1322232940 /nfs/dbraw/zinc/23/29/40/1322232940.db2.gz JKQYGXJLHISVIM-CQSZACIVSA-N 0 0 348.321 3.280 20 10 EGCDRN Oc1cc2c(cc1CNc1ccc3c(c1)[C@@H](O)CCCC3)OCO2 ZINC000850362529 1322234755 /nfs/dbraw/zinc/23/47/55/1322234755.db2.gz KQPGSAPSHAFAKC-INIZCTEOSA-N 0 0 327.380 3.493 20 10 EGCDRN CCN(CC(=O)N(C1CC1)C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000921062050 1322251035 /nfs/dbraw/zinc/25/10/35/1322251035.db2.gz SYTUELACJWNBQX-UHFFFAOYSA-N 0 0 346.471 3.464 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850502008 1322258753 /nfs/dbraw/zinc/25/87/53/1322258753.db2.gz RETKVMLCFPEVEQ-CYBMUJFWSA-N 0 0 342.399 3.146 20 10 EGCDRN CC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cccc(Cl)c1[O-] ZINC000850554653 1322265423 /nfs/dbraw/zinc/26/54/23/1322265423.db2.gz FEUUVTCSHGPBJV-RHSMWYFYSA-N 0 0 338.879 3.340 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(F)cc1[O-] ZINC000850580401 1322272918 /nfs/dbraw/zinc/27/29/18/1322272918.db2.gz LVULPKVXVIKRJU-ANRSDYALSA-N 0 0 329.293 3.333 20 10 EGCDRN CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000922054791 1322445878 /nfs/dbraw/zinc/44/58/78/1322445878.db2.gz LMLVUJXWXBHXMB-KSSFIOAISA-N 0 0 343.475 3.244 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)[C@@H]2CCOC2)c1 ZINC000859598590 1329031433 /nfs/dbraw/zinc/03/14/33/1329031433.db2.gz HZMWOHYDEPYPNQ-WMLDXEAASA-N 0 0 340.423 3.061 20 10 EGCDRN C[C@]1(C(=O)Nc2ccc(N)cc2)CC1(Br)Br ZINC000851633479 1323065863 /nfs/dbraw/zinc/06/58/63/1323065863.db2.gz KUORYBFCIZSQES-SNVBAGLBSA-N 0 0 348.038 3.103 20 10 EGCDRN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ncco1 ZINC000924716340 1323128997 /nfs/dbraw/zinc/12/89/97/1323128997.db2.gz PKNDRMCMDZLRBP-MGPQQGTHSA-N 0 0 333.407 3.278 20 10 EGCDRN CO[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC000852659838 1323222028 /nfs/dbraw/zinc/22/20/28/1323222028.db2.gz XFSJGOOYCQIIFM-HNNXBMFYSA-N 0 0 326.824 3.050 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](N)c2ccc(F)cc2F)cc1 ZINC000852860819 1323248768 /nfs/dbraw/zinc/24/87/68/1323248768.db2.gz VYZQTBHKGNQDDO-SFHVURJKSA-N 0 0 347.409 3.127 20 10 EGCDRN CN(C[C@H]1CC1(C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000852923449 1323251832 /nfs/dbraw/zinc/25/18/32/1323251832.db2.gz AUQOVLMQYGXYGP-CYBMUJFWSA-N 0 0 329.469 3.434 20 10 EGCDRN CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)COC)cc2)SC1=S ZINC000853000568 1323257824 /nfs/dbraw/zinc/25/78/24/1323257824.db2.gz DXFOFNFYPFDPPO-HOXUKUGESA-N 0 0 337.466 3.321 20 10 EGCDRN CCOC(=O)c1nc(-c2ccc(N(C)C)cc2)sc1C(=O)OCC ZINC000853001057 1323258431 /nfs/dbraw/zinc/25/84/31/1323258431.db2.gz VFWRMXCSIRKXIG-UHFFFAOYSA-N 0 0 348.424 3.230 20 10 EGCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1cccc(F)c1 ZINC000853015532 1323261466 /nfs/dbraw/zinc/26/14/66/1323261466.db2.gz PVQXFOBAUNLADS-UHFFFAOYSA-N 0 0 343.402 3.109 20 10 EGCDRN OC1CCN(c2ccc(CNC(=S)Nc3ccccc3)cc2)CC1 ZINC000853040794 1323265745 /nfs/dbraw/zinc/26/57/45/1323265745.db2.gz ICVPQJQNAZODNL-UHFFFAOYSA-N 0 0 341.480 3.134 20 10 EGCDRN O=[N+]([O-])c1cncc(Cl)c1NCCCSc1nccs1 ZINC000853326884 1325081352 /nfs/dbraw/zinc/08/13/52/1325081352.db2.gz RXIOZEJOACADMY-UHFFFAOYSA-N 0 0 330.822 3.116 20 10 EGCDRN CC(C)CC1(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000853452006 1325094147 /nfs/dbraw/zinc/09/41/47/1325094147.db2.gz DTAFYTGHANDQTJ-UHFFFAOYSA-N 0 0 349.450 3.040 20 10 EGCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000853736413 1325155729 /nfs/dbraw/zinc/15/57/29/1325155729.db2.gz AGKXLUKMLZSVJH-GOEBONIOSA-N 0 0 346.814 3.410 20 10 EGCDRN Cc1nc(Cl)cc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853956774 1325192909 /nfs/dbraw/zinc/19/29/09/1325192909.db2.gz ZSGHZIPMLZRYTG-UHFFFAOYSA-N 0 0 332.835 3.012 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2ccccn2)C2CC2)c1 ZINC000925548117 1325202249 /nfs/dbraw/zinc/20/22/49/1325202249.db2.gz RFUGXDAUPHUIKF-KPZWWZAWSA-N 0 0 341.411 3.307 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@]3(C)CC3(C)C)C2)cc1 ZINC000854187861 1325225531 /nfs/dbraw/zinc/22/55/31/1325225531.db2.gz SFLVSLLLZLDXCW-KUHUBIRLSA-N 0 0 331.460 3.009 20 10 EGCDRN O=C(NC1(Cc2cccc(F)c2)CCOCC1)C1=CC(=O)CS1 ZINC000854662396 1325290780 /nfs/dbraw/zinc/29/07/80/1325290780.db2.gz ZJXHTZCLODGNHX-UHFFFAOYSA-N 0 0 335.400 3.115 20 10 EGCDRN CC(C)(CO)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1 ZINC000855111382 1325345551 /nfs/dbraw/zinc/34/55/51/1325345551.db2.gz KVAKAKUHXZIAOD-QLBOMPFWSA-N 0 0 347.436 3.049 20 10 EGCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)c(O)c1O ZINC000855549350 1325395959 /nfs/dbraw/zinc/39/59/59/1325395959.db2.gz BBANXLNRZFIFAK-INIZCTEOSA-N 0 0 327.380 3.418 20 10 EGCDRN CCCC[C@@](C)(F)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209551 1325464218 /nfs/dbraw/zinc/46/42/18/1325464218.db2.gz SCFUFSDKFVVALP-LJQANCHMSA-N 0 0 336.451 3.182 20 10 EGCDRN O=C(/C=C/c1cccs1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209092 1325464227 /nfs/dbraw/zinc/46/42/27/1325464227.db2.gz HAKLYEWMEKLFFW-BQYQJAHWSA-N 0 0 342.464 3.039 20 10 EGCDRN Cc1c(F)cccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856208971 1325464325 /nfs/dbraw/zinc/46/43/25/1325464325.db2.gz DIIGZZTXNHHLDA-UHFFFAOYSA-N 0 0 342.414 3.025 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1nccn1C ZINC000856277790 1325471571 /nfs/dbraw/zinc/47/15/71/1325471571.db2.gz QNPJFIGUCPPKRC-CYBMUJFWSA-N 0 0 328.441 3.380 20 10 EGCDRN C[C@@H](Nc1nccc2nccnc21)c1ccc(N2CCOCC2)cc1 ZINC000856725491 1325513759 /nfs/dbraw/zinc/51/37/59/1325513759.db2.gz MEOTWKNZUKTUGI-CQSZACIVSA-N 0 0 335.411 3.035 20 10 EGCDRN COc1ccc(N2CCC(Nc3nccc4nccnc43)CC2)cc1 ZINC000856728453 1325515382 /nfs/dbraw/zinc/51/53/82/1325515382.db2.gz TWHVWMTVSHKNFG-UHFFFAOYSA-N 0 0 335.411 3.114 20 10 EGCDRN Cc1cc(NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000860286902 1329301214 /nfs/dbraw/zinc/30/12/14/1329301214.db2.gz KRHCDNLMUMFVGO-UHFFFAOYSA-N 0 0 337.427 3.458 20 10 EGCDRN CC(=O)C[C@@H](C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000860340459 1329306885 /nfs/dbraw/zinc/30/68/85/1329306885.db2.gz KIHJIDWHZZBURK-GFCCVEGCSA-N 0 0 326.396 3.004 20 10 EGCDRN CCOc1cccc(/C=C\C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000860697153 1329345547 /nfs/dbraw/zinc/34/55/47/1329345547.db2.gz OQBXHYUICYAOAB-GDAGCXPBSA-N 0 0 341.407 3.257 20 10 EGCDRN COc1cc(OC)c(OC)cc1NC(=O)NCc1cc(C)ccc1O ZINC000860790589 1329356012 /nfs/dbraw/zinc/35/60/12/1329356012.db2.gz ZPSGKFGILHCFPJ-UHFFFAOYSA-N 0 0 346.383 3.048 20 10 EGCDRN CO[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000860950879 1329371973 /nfs/dbraw/zinc/37/19/73/1329371973.db2.gz TYJKVDKAVIWJQQ-ACJLOTCBSA-N 0 0 330.403 3.457 20 10 EGCDRN CCC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000927016633 1327823238 /nfs/dbraw/zinc/82/32/38/1327823238.db2.gz JHFQDEPZLUSSPF-ONGXEEELSA-N 0 0 334.229 3.496 20 10 EGCDRN CC[C@@]1(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CCOC1 ZINC000861295866 1329406117 /nfs/dbraw/zinc/40/61/17/1329406117.db2.gz OAMFADHVUXBLFB-HXUWFJFHSA-N 0 0 340.423 3.206 20 10 EGCDRN CCN(C[C@H](C)OC)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000861794365 1329442028 /nfs/dbraw/zinc/44/20/28/1329442028.db2.gz OGFAFUYJSOLFPD-HNNXBMFYSA-N 0 0 342.439 3.404 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@H](C)C(C)(C)O)c1 ZINC000861883084 1329447925 /nfs/dbraw/zinc/44/79/25/1329447925.db2.gz VGNCKPSCMSRVER-OAHLLOKOSA-N 0 0 342.439 3.138 20 10 EGCDRN CN(C)c1cc(F)c(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1F ZINC000862371335 1329479481 /nfs/dbraw/zinc/47/94/81/1329479481.db2.gz DMFXJVIYMDNRNY-ZDUSSCGKSA-N 0 0 340.805 3.328 20 10 EGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C2CC2)c1 ZINC000862754407 1329506455 /nfs/dbraw/zinc/50/64/55/1329506455.db2.gz DOKCUUAZKBTRQX-ZDUSSCGKSA-N 0 0 348.443 3.105 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CC1(C)COC1 ZINC000862765052 1329507745 /nfs/dbraw/zinc/50/77/45/1329507745.db2.gz YCONCFCLOWOEES-UHFFFAOYSA-N 0 0 340.423 3.015 20 10 EGCDRN Cc1cc(CC(=O)NC[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000863181317 1329532732 /nfs/dbraw/zinc/53/27/32/1329532732.db2.gz ZUQYUINLGBMXKN-UJKQEGAGSA-N 0 0 346.858 3.177 20 10 EGCDRN CN(C)c1cc(F)c(C[NH2+][C@H](CC(=O)[O-])c2cccs2)cc1F ZINC000864508919 1329620102 /nfs/dbraw/zinc/62/01/02/1329620102.db2.gz DZBXPQFCPNRPKX-CYBMUJFWSA-N 0 0 340.395 3.398 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cnn(CC)c2C)cc1 ZINC000864636514 1329632822 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3.066 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(OCC(F)F)n2)cc1 ZINC000089602433 454166930 /nfs/dbraw/zinc/16/69/30/454166930.db2.gz PBUVBNRPHGYOLU-UHFFFAOYSA-N 0 0 349.381 3.064 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C(=O)OC)s1 ZINC000058179974 454169298 /nfs/dbraw/zinc/16/92/98/454169298.db2.gz QOSRULXQZXINJW-UHFFFAOYSA-N 0 0 333.409 3.293 20 10 EGCDRN CN1CCCc2cc(CNc3nc4sccn4c3[N+](=O)[O-])ccc21 ZINC000058555614 454214288 /nfs/dbraw/zinc/21/42/88/454214288.db2.gz XCYMNKMXBFNWGM-UHFFFAOYSA-N 0 0 343.412 3.299 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccnc(Cc2ccccc2)n1 ZINC000095460723 454215996 /nfs/dbraw/zinc/21/59/96/454215996.db2.gz PGBGZCMHIRQBTI-UHFFFAOYSA-N 0 0 348.406 3.437 20 10 EGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccnc2)cc1 ZINC000071799918 454220872 /nfs/dbraw/zinc/22/08/72/454220872.db2.gz LSGKXLIGFJNVAD-UHFFFAOYSA-N 0 0 337.345 3.352 20 10 EGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccncc2)cc1 ZINC000071799917 454221074 /nfs/dbraw/zinc/22/10/74/454221074.db2.gz 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/nfs/dbraw/zinc/35/66/96/454356696.db2.gz BYZVPQTZXJXKBC-UHFFFAOYSA-N 0 0 343.402 3.292 20 10 EGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000079319066 454396956 /nfs/dbraw/zinc/39/69/56/454396956.db2.gz RDOINLBRNCKERS-MRXNPFEDSA-N 0 0 332.494 3.461 20 10 EGCDRN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000121149415 454399281 /nfs/dbraw/zinc/39/92/81/454399281.db2.gz DCDNTVAKAIJNNR-GFCCVEGCSA-N 0 0 341.455 3.421 20 10 EGCDRN C[C@H](CNC(=O)N(C)Cc1ccccc1O)COCc1ccccc1 ZINC000097258436 454429776 /nfs/dbraw/zinc/42/97/76/454429776.db2.gz FHHRUVOTMGRFNZ-MRXNPFEDSA-N 0 0 342.439 3.387 20 10 EGCDRN CO[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC000073721958 454472526 /nfs/dbraw/zinc/47/25/26/454472526.db2.gz VXYOLPYEODRTHY-KRWDZBQOSA-N 0 0 333.476 3.147 20 10 EGCDRN CO[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC000073721956 454472653 /nfs/dbraw/zinc/47/26/53/454472653.db2.gz VXYOLPYEODRTHY-QGZVFWFLSA-N 0 0 333.476 3.147 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc(F)c1 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C[C@@H](CSc1ccc(F)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000237489446 455188781 /nfs/dbraw/zinc/18/87/81/455188781.db2.gz VSFXPMNSOMKEQI-ZDUSSCGKSA-N 0 0 332.444 3.495 20 10 EGCDRN CCn1nc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1Cl ZINC000172911880 455208836 /nfs/dbraw/zinc/20/88/36/455208836.db2.gz MWDVIEXFSNDLGV-UHFFFAOYSA-N 0 0 346.862 3.177 20 10 EGCDRN Cc1cccc(OCCCCC(=O)NCCc2ccc(N)cc2)c1 ZINC000237709045 455209926 /nfs/dbraw/zinc/20/99/26/455209926.db2.gz NLRVVABYVCKMTI-UHFFFAOYSA-N 0 0 326.440 3.485 20 10 EGCDRN C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183437822 455292493 /nfs/dbraw/zinc/29/24/93/455292493.db2.gz JRWLKSUSBYNYGZ-NWDGAFQWSA-N 0 0 349.814 3.266 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc2cc[nH]c21 ZINC000172980781 455216846 /nfs/dbraw/zinc/21/68/46/455216846.db2.gz TVZNHEDSQSVXES-UHFFFAOYSA-N 0 0 349.434 3.277 20 10 EGCDRN CCOc1c(Cl)cccc1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000189544945 455217901 /nfs/dbraw/zinc/21/79/01/455217901.db2.gz RSAWZURVBIHWMB-UHFFFAOYSA-N 0 0 349.814 3.051 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000181038670 455279492 /nfs/dbraw/zinc/27/94/92/455279492.db2.gz WFXISFWWNOXISW-ZUURVNMSSA-N 0 0 346.386 3.412 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccc(Cl)s1 ZINC000183458332 455294424 /nfs/dbraw/zinc/29/44/24/455294424.db2.gz HCNJYVUQPPDJGL-SNVBAGLBSA-N 0 0 339.844 3.493 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)c1nncn1C ZINC000264901387 455297340 /nfs/dbraw/zinc/29/73/40/455297340.db2.gz FMJPCHKKMQFGBA-HNNXBMFYSA-N 0 0 337.427 3.022 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000183489205 455300059 /nfs/dbraw/zinc/30/00/59/455300059.db2.gz KDBJYXMQHBAAKY-GDLCADMTSA-N 0 0 347.361 3.227 20 10 EGCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](c2ccsc2)O1 ZINC000181195372 455301073 /nfs/dbraw/zinc/30/10/73/455301073.db2.gz FTSUXWQPBQDVSX-BXUNFOLJSA-N 0 0 345.420 3.161 20 10 EGCDRN CCN(CC)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173805762 455333844 /nfs/dbraw/zinc/33/38/44/455333844.db2.gz CYBKOCFQMAELLV-ZDUSSCGKSA-N 0 0 341.402 3.308 20 10 EGCDRN CN(C)c1ccc(CNC(=O)CCc2nnc(C3CCCC3)o2)cc1 ZINC000159010743 455345091 /nfs/dbraw/zinc/34/50/91/455345091.db2.gz HNNUIJICEGLZPG-UHFFFAOYSA-N 0 0 342.443 3.042 20 10 EGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2cc(F)ccc2OC)c1O ZINC000173995810 455348606 /nfs/dbraw/zinc/34/86/06/455348606.db2.gz NQQMERKWTMXZQZ-NSHDSACASA-N 0 0 348.374 3.109 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000184032294 455348930 /nfs/dbraw/zinc/34/89/30/455348930.db2.gz FGFJFWOCAQOTTF-HKUYNNGSSA-N 0 0 345.487 3.290 20 10 EGCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccs1 ZINC000265737554 455371231 /nfs/dbraw/zinc/37/12/31/455371231.db2.gz CUNLBKBLKBFUPM-CQSZACIVSA-N 0 0 342.804 3.013 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccon2)cc1F ZINC000265804596 455383986 /nfs/dbraw/zinc/38/39/86/455383986.db2.gz UJOREDLLMFZNQM-UHFFFAOYSA-N 0 0 334.395 3.002 20 10 EGCDRN Cc1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1-n1cncn1 ZINC000266077018 455423188 /nfs/dbraw/zinc/42/31/88/455423188.db2.gz MXLYHTLJTXZHKA-UHFFFAOYSA-N 0 0 347.422 3.428 20 10 EGCDRN Cc1cc(C(=O)N[C@H](C)[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000266130562 455424034 /nfs/dbraw/zinc/42/40/34/455424034.db2.gz GFBBAOGXCPQOMR-HIFRSBDPSA-N 0 0 330.403 3.388 20 10 EGCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C1CC1 ZINC000175286139 455434937 /nfs/dbraw/zinc/43/49/37/455434937.db2.gz QTKSFYXERCKWNU-HNAYVOBHSA-N 0 0 330.472 3.306 20 10 EGCDRN Cc1cc(C(=O)N(C)Cc2nc[nH]n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175395538 455444801 /nfs/dbraw/zinc/44/48/01/455444801.db2.gz QHEBEHPCJAHUCJ-UHFFFAOYSA-N 0 0 337.427 3.101 20 10 EGCDRN COCCCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266745539 455446244 /nfs/dbraw/zinc/44/62/44/455446244.db2.gz MXZJZCYJKSHPRP-UHFFFAOYSA-N 0 0 335.492 3.489 20 10 EGCDRN CCC[C@H](CCO)CNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000266808020 455455429 /nfs/dbraw/zinc/45/54/29/455455429.db2.gz VUMZQEYDLPVMSI-MRXNPFEDSA-N 0 0 335.492 3.131 20 10 EGCDRN C[C@H](c1ccsc1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000184957051 455478478 /nfs/dbraw/zinc/47/84/78/455478478.db2.gz ZYZGURLQGJZBLY-CYBMUJFWSA-N 0 0 346.452 3.061 20 10 EGCDRN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCSc2ccncc21 ZINC000175724569 455487959 /nfs/dbraw/zinc/48/79/59/455487959.db2.gz BPBPSHVDGAGTDB-AATRIKPKSA-N 0 0 327.365 3.142 20 10 EGCDRN CC(C)(C)O[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000182550978 455538662 /nfs/dbraw/zinc/53/86/62/455538662.db2.gz DGRBTHIPIQXUBR-QGZVFWFLSA-N 0 0 329.396 3.270 20 10 EGCDRN COCCCOc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000176136612 455545262 /nfs/dbraw/zinc/54/52/62/455545262.db2.gz SFMGGBRGZOQXOP-UHFFFAOYSA-N 0 0 329.396 3.080 20 10 EGCDRN Cc1[nH]ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000267379475 455550145 /nfs/dbraw/zinc/55/01/45/455550145.db2.gz RRABFGBOEYWIOS-GOSISDBHSA-N 0 0 341.455 3.211 20 10 EGCDRN C[C@@H]1CC/C(=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000267892244 455561596 /nfs/dbraw/zinc/56/15/96/455561596.db2.gz XHLQNTZSICLJEV-WDMNMGCXSA-N 0 0 328.456 3.228 20 10 EGCDRN CON(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000283821483 455599206 /nfs/dbraw/zinc/59/92/06/455599206.db2.gz PZLFGWWZMSGBBD-LBPRGKRZSA-N 0 0 325.840 3.279 20 10 EGCDRN COc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1OC ZINC000292305507 455623463 /nfs/dbraw/zinc/62/34/63/455623463.db2.gz KRYAOLIFDZVFCF-NTEUORMPSA-N 0 0 335.450 3.458 20 10 EGCDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(O)c1O)CCC2 ZINC000185860000 455636275 /nfs/dbraw/zinc/63/62/75/455636275.db2.gz BWWPVSFKPJBKTB-LBPRGKRZSA-N 0 0 332.425 3.266 20 10 EGCDRN CN(C)c1ccc(OCCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000277733820 455649115 /nfs/dbraw/zinc/64/91/15/455649115.db2.gz IAFQURPWJFCUFS-UHFFFAOYSA-N 0 0 349.452 3.004 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000277893847 455699689 /nfs/dbraw/zinc/69/96/89/455699689.db2.gz CDOBCXNXENFRJS-UHFFFAOYSA-N 0 0 340.301 3.001 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Cn1ccc(C(F)(F)F)n1 ZINC000268668121 455711333 /nfs/dbraw/zinc/71/13/33/455711333.db2.gz WHQOLCQATSCZDY-UHFFFAOYSA-N 0 0 341.333 3.046 20 10 EGCDRN C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(F)cc1[O-] ZINC000186199167 455715856 /nfs/dbraw/zinc/71/58/56/455715856.db2.gz KXSZCVBEMXLAID-JTQLQIEISA-N 0 0 326.318 3.421 20 10 EGCDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1ccccc1O ZINC000271704376 455727871 /nfs/dbraw/zinc/72/78/71/455727871.db2.gz VETVAYVILMOUOA-YVEFUNNKSA-N 0 0 332.375 3.107 20 10 EGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000186263656 455728608 /nfs/dbraw/zinc/72/86/08/455728608.db2.gz UZBAXGDXYQPYTR-AWEZNQCLSA-N 0 0 328.412 3.341 20 10 EGCDRN CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1=O ZINC000192998256 455732447 /nfs/dbraw/zinc/73/24/47/455732447.db2.gz HIQVPEWWUZNZGB-NOZJJQNGSA-N 0 0 331.243 3.359 20 10 EGCDRN C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193013410 455735207 /nfs/dbraw/zinc/73/52/07/455735207.db2.gz NJYLPSHTSVUESB-IUCAKERBSA-N 0 0 329.227 3.113 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)Cc1ccccc1 ZINC000186404774 455761845 /nfs/dbraw/zinc/76/18/45/455761845.db2.gz GOVJLVMKJNYVSE-CQSZACIVSA-N 0 0 327.424 3.414 20 10 EGCDRN CCOc1cccc(CNc2cc(COC)cc(C(=O)OC)c2)c1O ZINC000292803939 455761983 /nfs/dbraw/zinc/76/19/83/455761983.db2.gz NXJSVZBCENTGEN-UHFFFAOYSA-N 0 0 345.395 3.336 20 10 EGCDRN CCOC1(C)CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000292879063 455765000 /nfs/dbraw/zinc/76/50/00/455765000.db2.gz XKDBEYYVHFCOIS-UHFFFAOYSA-N 0 0 328.796 3.345 20 10 EGCDRN Cc1cc(C)c(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000186443342 455770251 /nfs/dbraw/zinc/77/02/51/455770251.db2.gz VAQQWPMASHNAEN-HNNXBMFYSA-N 0 0 327.424 3.313 20 10 EGCDRN Cc1ncsc1/C=C/C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000186491743 455780441 /nfs/dbraw/zinc/78/04/41/455780441.db2.gz LZMLDKBYZAMPSM-VOTSOKGWSA-N 0 0 329.381 3.352 20 10 EGCDRN CC(C)c1nn(C)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000269080520 455784811 /nfs/dbraw/zinc/78/48/11/455784811.db2.gz GHGNWYXCUITSAS-UHFFFAOYSA-N 0 0 327.428 3.058 20 10 EGCDRN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000271867462 455792991 /nfs/dbraw/zinc/79/29/91/455792991.db2.gz NBGPDKHZHIDBLI-SJLPKXTDSA-N 0 0 330.472 3.450 20 10 EGCDRN C[C@@H]1CN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C[C@H](C)O1 ZINC000269242492 455818891 /nfs/dbraw/zinc/81/88/91/455818891.db2.gz KHGZLBFAGCWKGX-GASCZTMLSA-N 0 0 339.439 3.064 20 10 EGCDRN Cc1csc([C@H]2COCCN2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000294572298 455819910 /nfs/dbraw/zinc/81/99/10/455819910.db2.gz MEPKGJMSMPJWIZ-QGZVFWFLSA-N 0 0 331.485 3.399 20 10 EGCDRN Cc1cccnc1C(F)(F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000194249457 455820249 /nfs/dbraw/zinc/82/02/49/455820249.db2.gz YNKVDDGZGGCLMG-UHFFFAOYSA-N 0 0 345.393 3.398 20 10 EGCDRN Cc1csc([C@@H]2COCCN2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000294572295 455820453 /nfs/dbraw/zinc/82/04/53/455820453.db2.gz MEPKGJMSMPJWIZ-KRWDZBQOSA-N 0 0 331.485 3.399 20 10 EGCDRN Cc1cc(CN2CCSC[C@H]2c2cnn(C)c2)ccc1N(C)C ZINC000294605983 455821403 /nfs/dbraw/zinc/82/14/03/455821403.db2.gz NXCSSHWYEVMVJG-SFHVURJKSA-N 0 0 330.501 3.085 20 10 EGCDRN CCC[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000294632809 455821867 /nfs/dbraw/zinc/82/18/67/455821867.db2.gz ULLXOKUGMMEJPE-PKOBYXMFSA-N 0 0 330.472 3.356 20 10 EGCDRN COc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000294811700 455828962 /nfs/dbraw/zinc/82/89/62/455828962.db2.gz NWEXJWNRUAQNCY-HNNXBMFYSA-N 0 0 335.835 3.371 20 10 EGCDRN COC1CCN(c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1 ZINC000294841206 455830277 /nfs/dbraw/zinc/83/02/77/455830277.db2.gz BFDUQDSKIASXKC-UHFFFAOYSA-N 0 0 349.438 3.004 20 10 EGCDRN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c(F)ccc(O)c1O ZINC000294872892 455831132 /nfs/dbraw/zinc/83/11/32/455831132.db2.gz FFEKWAQZJHRDTO-DOMZBBRYSA-N 0 0 349.333 3.026 20 10 EGCDRN C[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)c1nncn1C ZINC000294933160 455832603 /nfs/dbraw/zinc/83/26/03/455832603.db2.gz DKAJBACPMVGRIB-CQSZACIVSA-N 0 0 341.484 3.364 20 10 EGCDRN Cc1csc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000294936721 455833093 /nfs/dbraw/zinc/83/30/93/455833093.db2.gz UYKANIYZJRSDLD-UHFFFAOYSA-N 0 0 344.480 3.195 20 10 EGCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1nc(C(F)(F)F)cs1 ZINC000278394514 455835201 /nfs/dbraw/zinc/83/52/01/455835201.db2.gz FAUKOQCOWUUTCV-MRVPVSSYSA-N 0 0 345.346 3.428 20 10 EGCDRN CC[C@@H](C)[C@@H](NC(=O)NCc1cccc(OC)c1O)C(F)(F)F ZINC000278462882 455836504 /nfs/dbraw/zinc/83/65/04/455836504.db2.gz HKWXDGOPDVVVQP-NOZJJQNGSA-N 0 0 334.338 3.177 20 10 EGCDRN CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000272074213 455839613 /nfs/dbraw/zinc/83/96/13/455839613.db2.gz PUZUUKMSFGXADD-PIGZYNQJSA-N 0 0 334.347 3.305 20 10 EGCDRN CCOc1cccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)c1O ZINC000278599917 455841170 /nfs/dbraw/zinc/84/11/70/455841170.db2.gz CDCLJBITVLPEIM-UHFFFAOYSA-N 0 0 341.411 3.234 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000186849217 455843517 /nfs/dbraw/zinc/84/35/17/455843517.db2.gz POYLCPDGPGBEEH-UHFFFAOYSA-N 0 0 346.814 3.322 20 10 EGCDRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCOc3ccncc32)s1 ZINC000254941073 455856283 /nfs/dbraw/zinc/85/62/83/455856283.db2.gz IZFWFLYFIUOVLO-PLNGDYQASA-N 0 0 329.425 3.274 20 10 EGCDRN Cc1ncccc1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000285495570 455857805 /nfs/dbraw/zinc/85/78/05/455857805.db2.gz PRNVDKVDKOVLII-UHFFFAOYSA-N 0 0 337.467 3.485 20 10 EGCDRN COCC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000272144563 455857980 /nfs/dbraw/zinc/85/79/80/455857980.db2.gz KPWZNFAXRGWKMN-KRWDZBQOSA-N 0 0 345.443 3.231 20 10 EGCDRN CC(C)n1ncc2cc(C=CC(=O)N(C)c3ccccc3)c(=O)[nH]c21 ZINC000255098603 455860078 /nfs/dbraw/zinc/86/00/78/455860078.db2.gz NFULYAAYMROTLR-KTKRTIGZSA-N 0 0 336.395 3.394 20 10 EGCDRN O=C(/C=C\c1cncc(F)c1)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000255111689 455860805 /nfs/dbraw/zinc/86/08/05/455860805.db2.gz PCEKCBXZZBSEGI-MJRGOJFPSA-N 0 0 348.381 3.261 20 10 EGCDRN Cc1csc([C@@H](NC(=O)c2ccc(C)c(O)c2O)C(F)(F)F)n1 ZINC000295955952 455864362 /nfs/dbraw/zinc/86/43/62/455864362.db2.gz MMIJVNYIOARADE-LLVKDONJSA-N 0 0 346.330 3.205 20 10 EGCDRN CO[C@@]1(C)CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000279539991 455866720 /nfs/dbraw/zinc/86/67/20/455866720.db2.gz AKXDHSUWEMSHAS-FQEVSTJZSA-N 0 0 345.487 3.170 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)NC[C@H]3CCSC3)cc2)CC1 ZINC000279515702 455866949 /nfs/dbraw/zinc/86/69/49/455866949.db2.gz JWGZWYIHBZOHAO-QGZVFWFLSA-N 0 0 347.528 3.475 20 10 EGCDRN Cc1ncc(/C=C\C(=O)N(C[C@@H]2CCCO2)c2ccncc2)s1 ZINC000255515554 455869388 /nfs/dbraw/zinc/86/93/88/455869388.db2.gz VNZIGEVCAJUIBJ-XVWMLYKFSA-N 0 0 329.425 3.072 20 10 EGCDRN CC(C)n1c(CCNC(=O)c2cccc(O)c2O)nc2ccccc21 ZINC000187109541 455870790 /nfs/dbraw/zinc/87/07/90/455870790.db2.gz GTEDMACZXXJSJY-UHFFFAOYSA-N 0 0 339.395 3.001 20 10 EGCDRN Cc1cc(C(=O)N2CCCC[C@@H]2C[C@@H](C)O)c(C)n1-c1ccccn1 ZINC000279756830 455872452 /nfs/dbraw/zinc/87/24/52/455872452.db2.gz LPSLUUAZGKOSHT-NVXWUHKLSA-N 0 0 341.455 3.255 20 10 EGCDRN O=C(c1cccc(O)c1O)N(CCC(F)(F)F)CC(F)(F)F ZINC000279799221 455873708 /nfs/dbraw/zinc/87/37/08/455873708.db2.gz PBAKESMVXZFBKB-UHFFFAOYSA-N 0 0 331.212 3.055 20 10 EGCDRN COc1ccc(N(Cc2ccccc2)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000279880094 455875822 /nfs/dbraw/zinc/87/58/22/455875822.db2.gz CPXMOMIALBIJPJ-QGZVFWFLSA-N 0 0 345.464 3.137 20 10 EGCDRN CC[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(F)cc1[O-] ZINC000285601951 455879427 /nfs/dbraw/zinc/87/94/27/455879427.db2.gz JTVDCOZYAALWCD-GOSISDBHSA-N 0 0 340.402 3.412 20 10 EGCDRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280085701 455887796 /nfs/dbraw/zinc/88/77/96/455887796.db2.gz AJHLWCGEKDVKED-MNDBLIDSSA-N 0 0 348.434 3.113 20 10 EGCDRN CN1CCCc2cc(CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)ccc21 ZINC000194922092 455900435 /nfs/dbraw/zinc/90/04/35/455900435.db2.gz MKJPMRQXLNAIKC-JWTNVVGKSA-N 0 0 340.467 3.081 20 10 EGCDRN C[C@@H](c1ccc(F)c(F)c1[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296345247 455914227 /nfs/dbraw/zinc/91/42/27/455914227.db2.gz IARBSSAHOHOAKS-RYUDHWBXSA-N 0 0 340.414 3.345 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1C=CCCC1 ZINC000187532855 455921942 /nfs/dbraw/zinc/92/19/42/455921942.db2.gz BJNGHBSNXHQKDZ-KRWDZBQOSA-N 0 0 328.456 3.228 20 10 EGCDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCOC[C@@H](O)C1 ZINC000296442693 455940493 /nfs/dbraw/zinc/94/04/93/455940493.db2.gz XRIBDDPGUDSVJE-UAFUQJIBSA-N 0 0 340.383 3.327 20 10 EGCDRN COCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)c1ccccc1 ZINC000272471104 455962374 /nfs/dbraw/zinc/96/23/74/455962374.db2.gz PRDXTNRCLUOWDL-GDXASINISA-N 0 0 341.407 3.347 20 10 EGCDRN CCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](O)c1ccccc1 ZINC000280692165 456032065 /nfs/dbraw/zinc/03/20/65/456032065.db2.gz WFAIJIZHXXSYKJ-KZWPVFNASA-N 0 0 341.407 3.130 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1c(F)ccc(O)c1F ZINC000280752162 456045963 /nfs/dbraw/zinc/04/59/63/456045963.db2.gz KPSZZBGCHYLJFH-UHFFFAOYSA-N 0 0 333.334 3.185 20 10 EGCDRN 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330.388 3.025 20 10 EGCDRN COc1ccc(N2CCC(Nc3nc(C)nc(C)c3C)CC2)cc1 ZINC000301451472 456119263 /nfs/dbraw/zinc/11/92/63/456119263.db2.gz UFROVFNOMWGNMS-UHFFFAOYSA-N 0 0 326.444 3.491 20 10 EGCDRN CC(=O)c1cc(F)cc(CN2CCC=C(c3cccnc3)C2)c1O ZINC000289312203 456121701 /nfs/dbraw/zinc/12/17/01/456121701.db2.gz JHFJGQUWWSXIDI-UHFFFAOYSA-N 0 0 326.371 3.418 20 10 EGCDRN Cc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ncn1 ZINC000301477440 456125219 /nfs/dbraw/zinc/12/52/19/456125219.db2.gz UBESAVLNEDJIJV-CYBMUJFWSA-N 0 0 334.370 3.467 20 10 EGCDRN Cc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ncn1 ZINC000301477441 456126143 /nfs/dbraw/zinc/12/61/43/456126143.db2.gz UBESAVLNEDJIJV-ZDUSSCGKSA-N 0 0 334.370 3.467 20 10 EGCDRN CCOc1ccc(OCCCC(=O)NCc2ccc(N)cc2)cc1 ZINC000297129557 456126501 /nfs/dbraw/zinc/12/65/01/456126501.db2.gz HGALTCPGWJSRTL-UHFFFAOYSA-N 0 0 328.412 3.143 20 10 EGCDRN CC1(C)CCC[C@]1(O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000297147099 456131714 /nfs/dbraw/zinc/13/17/14/456131714.db2.gz 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CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183490130 455299772 /nfs/dbraw/zinc/29/97/72/455299772.db2.gz LQJQJCAWLDICKA-PXAZEXFGSA-N 0 0 347.386 3.142 20 10 EGCDRN COc1cc(OC)c(CC[NH2+][C@@H](C)c2ccccc2O)c(OC)c1 ZINC000183504021 455300580 /nfs/dbraw/zinc/30/05/80/455300580.db2.gz FEFSJYUUATXUNW-ZDUSSCGKSA-N 0 0 331.412 3.311 20 10 EGCDRN CC(C)(C)c1nc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cs1 ZINC000181293679 455313860 /nfs/dbraw/zinc/31/38/60/455313860.db2.gz GIIVIGPTRQDRGW-FNORWQNLSA-N 0 0 346.452 3.224 20 10 EGCDRN Cc1cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c(C)n1-c1cccc(C)c1 ZINC000184437304 455380998 /nfs/dbraw/zinc/38/09/98/455380998.db2.gz CBZCDOOTJCNMPR-OYLFLEFRSA-N 0 0 346.496 3.242 20 10 EGCDRN CC(C)(C)CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000265796131 455383445 /nfs/dbraw/zinc/38/34/45/455383445.db2.gz MGJCCRNPMWULAQ-UHFFFAOYSA-N 0 0 336.451 3.229 20 10 EGCDRN COc1cccc(CNC(=O)N[C@@H](c2ncccc2C)C(C)C)c1O ZINC000174983363 455419686 /nfs/dbraw/zinc/41/96/86/455419686.db2.gz IQSIMXJRDOSLKX-MRXNPFEDSA-N 0 0 343.427 3.301 20 10 EGCDRN Cc1cc(C(=O)N2CCC3(C2)CCOCC3)c(C)n1-c1ccccn1 ZINC000266494817 455429402 /nfs/dbraw/zinc/42/94/02/455429402.db2.gz UVLGTRMRFBTCOV-UHFFFAOYSA-N 0 0 339.439 3.132 20 10 EGCDRN Cc1nc(C)c(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000266527482 455430448 /nfs/dbraw/zinc/43/04/48/455430448.db2.gz IUERVPCVGULPPU-UHFFFAOYSA-N 0 0 332.473 3.168 20 10 EGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000184852766 455460402 /nfs/dbraw/zinc/46/04/02/455460402.db2.gz DAYJNMZGALCGBT-NVXWUHKLSA-N 0 0 346.496 3.486 20 10 EGCDRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182520379 455531577 /nfs/dbraw/zinc/53/15/77/455531577.db2.gz TVADDYQHPWMEGA-CYBMUJFWSA-N 0 0 329.396 3.118 20 10 EGCDRN Cc1[nH]ccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000267404124 455550238 /nfs/dbraw/zinc/55/02/38/455550238.db2.gz YAWYDSLNOQXJKK-CHWSQXEVSA-N 0 0 345.418 3.006 20 10 EGCDRN O=C(CC[C@@H]1CCOC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267581440 455552922 /nfs/dbraw/zinc/55/29/22/455552922.db2.gz QZWAEMBVRIYMQV-CQSZACIVSA-N 0 0 336.395 3.152 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCOC1CCOCC1 ZINC000267760945 455554646 /nfs/dbraw/zinc/55/46/46/455554646.db2.gz QZXMUQGDJNWZIV-UHFFFAOYSA-N 0 0 348.487 3.075 20 10 EGCDRN CC1CC(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000267877361 455559168 /nfs/dbraw/zinc/55/91/68/455559168.db2.gz ROCVRWWHHIMDCF-MYMJJRTCSA-N 0 0 349.450 3.037 20 10 EGCDRN CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000185657465 455590586 /nfs/dbraw/zinc/59/05/86/455590586.db2.gz HMXMNKSIYNVACK-HVPDJGFRSA-N 0 0 325.474 3.131 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000271315310 455594925 /nfs/dbraw/zinc/59/49/25/455594925.db2.gz ADEVCIBBTJJNRY-FUHWJXTLSA-N 0 0 347.503 3.488 20 10 EGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](CSC)C2)cc1OC ZINC000292345800 455636659 /nfs/dbraw/zinc/63/66/59/455636659.db2.gz QKPBVEGZDQTQRL-NSHDSACASA-N 0 0 326.418 3.191 20 10 EGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000185972687 455665188 /nfs/dbraw/zinc/66/51/88/455665188.db2.gz NGIXSEAPOLAKTP-UHFFFAOYSA-N 0 0 338.367 3.113 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192674386 455667295 /nfs/dbraw/zinc/66/72/95/455667295.db2.gz ITVZINLXZIXKCX-WDEREUQCSA-N 0 0 333.259 3.070 20 10 EGCDRN C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185979749 455667430 /nfs/dbraw/zinc/66/74/30/455667430.db2.gz GKEDMQDJWUCDHW-NWDGAFQWSA-N 0 0 326.412 3.485 20 10 EGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccsc1 ZINC000268549408 455709109 /nfs/dbraw/zinc/70/91/09/455709109.db2.gz APHKVONHANFAIL-UHFFFAOYSA-N 0 0 345.468 3.279 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1CCOCC1 ZINC000268545811 455709458 /nfs/dbraw/zinc/70/94/58/455709458.db2.gz LYBZAANWFVNLOF-INIZCTEOSA-N 0 0 347.503 3.488 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(C=O)c[nH]1 ZINC000292646450 455720649 /nfs/dbraw/zinc/72/06/49/455720649.db2.gz CAWGKCYXPXOMGI-UHFFFAOYSA-N 0 0 325.412 3.090 20 10 EGCDRN Cc1ccc([C@@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1 ZINC000186249817 455725387 /nfs/dbraw/zinc/72/53/87/455725387.db2.gz MSCBFBDJBAJWNF-CQSZACIVSA-N 0 0 346.452 3.414 20 10 EGCDRN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000192963542 455728308 /nfs/dbraw/zinc/72/83/08/455728308.db2.gz XAASVTFQFWXZGR-UWVGGRQHSA-N 0 0 331.243 3.361 20 10 EGCDRN CS[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000186379055 455756414 /nfs/dbraw/zinc/75/64/14/455756414.db2.gz NYLWNWGIVMBJOM-SJKOYZFVSA-N 0 0 331.437 3.249 20 10 EGCDRN CCN(CC)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186383227 455756870 /nfs/dbraw/zinc/75/68/70/455756870.db2.gz MCWKIVPCMNDQAJ-AWEZNQCLSA-N 0 0 342.439 3.305 20 10 EGCDRN CC(C)(C)c1ccnc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000292809078 455762247 /nfs/dbraw/zinc/76/22/47/455762247.db2.gz OWIKDMSGBXGUNV-UHFFFAOYSA-N 0 0 326.444 3.223 20 10 EGCDRN COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000193871659 455783815 /nfs/dbraw/zinc/78/38/15/455783815.db2.gz XKKPLWIUZGSQBE-JBLDHEPKSA-N 0 0 342.233 3.147 20 10 EGCDRN CO[C@H](c1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1)C1CC1 ZINC000293461420 455786644 /nfs/dbraw/zinc/78/66/44/455786644.db2.gz QUGGHAYVOOEOOD-URPWPPKMSA-N 0 0 341.411 3.174 20 10 EGCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCc1ccccc1O ZINC000293563395 455790995 /nfs/dbraw/zinc/79/09/95/455790995.db2.gz AXFZDJRJFJBOAU-DZGCQCFKSA-N 0 0 348.443 3.092 20 10 EGCDRN COc1cc(O)c(C[NH2+]CCc2c[nH]c3ccc(F)cc23)cc1OC ZINC000271913487 455799696 /nfs/dbraw/zinc/79/96/96/455799696.db2.gz YIOLAIBOWSHUFY-UHFFFAOYSA-N 0 0 344.386 3.362 20 10 EGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000271915300 455799707 /nfs/dbraw/zinc/79/97/07/455799707.db2.gz NDUSYIMDCHRQKU-CYBMUJFWSA-N 0 0 332.835 3.421 20 10 EGCDRN Cc1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(C)n1 ZINC000271928928 455799723 /nfs/dbraw/zinc/79/97/23/455799723.db2.gz HFFSNQYPMJOFHZ-UHFFFAOYSA-N 0 0 326.444 3.210 20 10 EGCDRN COc1ccc(O)c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186588819 455800356 /nfs/dbraw/zinc/80/03/56/455800356.db2.gz SGRKWEBVFQLDGP-UHFFFAOYSA-N 0 0 345.414 3.110 20 10 EGCDRN CC(C)(CC(=O)NCc1ccc(O)c(O)c1)CC(=O)c1ccccc1 ZINC000252500426 455815760 /nfs/dbraw/zinc/81/57/60/455815760.db2.gz SVKKBSNZHCRSKT-UHFFFAOYSA-N 0 0 341.407 3.403 20 10 EGCDRN C[C@@H]1CN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C[C@@H](C)O1 ZINC000269242496 455819086 /nfs/dbraw/zinc/81/90/86/455819086.db2.gz KHGZLBFAGCWKGX-HUUCEWRRSA-N 0 0 339.439 3.064 20 10 EGCDRN CCOc1cccc(CNc2cnn(C3CCOCC3)c2C)c1O ZINC000294664742 455822700 /nfs/dbraw/zinc/82/27/00/455822700.db2.gz ADYBERKHLXAZJW-UHFFFAOYSA-N 0 0 331.416 3.259 20 10 EGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSC2CC2)cc1 ZINC000294787842 455827219 /nfs/dbraw/zinc/82/72/19/455827219.db2.gz SKIDZYSQWHTNSK-KRWDZBQOSA-N 0 0 348.512 3.156 20 10 EGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)CC1CC(F)(F)C1 ZINC000294849988 455830312 /nfs/dbraw/zinc/83/03/12/455830312.db2.gz CAMUXERJGIQXQJ-UHFFFAOYSA-N 0 0 333.762 3.066 20 10 EGCDRN C[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)c1nncn1C ZINC000294933151 455832368 /nfs/dbraw/zinc/83/23/68/455832368.db2.gz DKAJBACPMVGRIB-AWEZNQCLSA-N 0 0 341.484 3.364 20 10 EGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC(OC2CCCCC2)CC1 ZINC000295029260 455835617 /nfs/dbraw/zinc/83/56/17/455835617.db2.gz IEQAWVFNSUFAOS-UHFFFAOYSA-N 0 0 337.391 3.191 20 10 EGCDRN COc1c([O-])c(C[N@H+](C)C[C@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000278496215 455837881 /nfs/dbraw/zinc/83/78/81/455837881.db2.gz MQGHQHSGYDQEJT-JTQLQIEISA-N 0 0 337.401 3.001 20 10 EGCDRN COc1c([O-])c(C[NH2+]CC2(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000278619887 455842327 /nfs/dbraw/zinc/84/23/27/455842327.db2.gz FSGSRQXCAABZFW-UHFFFAOYSA-N 0 0 346.358 3.270 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1COc2ccccc2O1 ZINC000295295383 455845015 /nfs/dbraw/zinc/84/50/15/455845015.db2.gz QNTDMRFJOGSQAZ-MRXNPFEDSA-N 0 0 341.407 3.361 20 10 EGCDRN CCC(C)(C)NC(=O)[C@H](Sc1ncc(C(=O)OC)s1)C(C)C ZINC000295296170 455845393 /nfs/dbraw/zinc/84/53/93/455845393.db2.gz LWAOQORCDKJNGU-LLVKDONJSA-N 0 0 344.502 3.351 20 10 EGCDRN COc1c(O)c(CN[C@@H](C)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000278827035 455849452 /nfs/dbraw/zinc/84/94/52/455849452.db2.gz IGHHMYUROWKICI-VIFPVBQESA-N 0 0 338.310 3.438 20 10 EGCDRN COc1c(O)c(CNc2ccc(N(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000278851906 455850347 /nfs/dbraw/zinc/85/03/47/455850347.db2.gz KZDOHVANQMZSFO-UHFFFAOYSA-N 0 0 331.372 3.296 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCOC(C)(C)C2)C2CC2)cc1 ZINC000269981559 455855173 /nfs/dbraw/zinc/85/51/73/455855173.db2.gz RCCVVHBNCKBWGO-MRXNPFEDSA-N 0 0 345.487 3.384 20 10 EGCDRN Cc1nc(C2CC2)ccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000295732257 455858690 /nfs/dbraw/zinc/85/86/90/455858690.db2.gz MBMIALZEEAESDF-LLVKDONJSA-N 0 0 326.396 3.040 20 10 EGCDRN COC(OC)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000279135701 455858889 /nfs/dbraw/zinc/85/88/89/455858889.db2.gz FOAJMZUWIMYJBD-UHFFFAOYSA-N 0 0 344.411 3.101 20 10 EGCDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCSc2ccncc21 ZINC000255215493 455863670 /nfs/dbraw/zinc/86/36/70/455863670.db2.gz BPBPSHVDGAGTDB-WAYWQWQTSA-N 0 0 327.365 3.142 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](C)CCCO)c2C)cc1 ZINC000295977739 455865746 /nfs/dbraw/zinc/86/57/46/455865746.db2.gz JJIKQOPPTIBTAL-AWEZNQCLSA-N 0 0 344.455 3.241 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)Oc1ccc(C=O)cc1 ZINC000285609694 455881391 /nfs/dbraw/zinc/88/13/91/455881391.db2.gz JDMXPPHMEFNNTE-OAHLLOKOSA-N 0 0 341.407 3.411 20 10 EGCDRN CCc1nocc1CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296325385 455909315 /nfs/dbraw/zinc/90/93/15/455909315.db2.gz LZTUOFOJEFDTJO-UHFFFAOYSA-N 0 0 342.443 3.179 20 10 EGCDRN COc1cc(C)nc(CN(C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000270280039 455919540 /nfs/dbraw/zinc/91/95/40/455919540.db2.gz MEXNKBQKQRXIPC-UHFFFAOYSA-N 0 0 332.400 3.061 20 10 EGCDRN FC(F)(F)Cn1cnc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000195170679 455930020 /nfs/dbraw/zinc/93/00/20/455930020.db2.gz RBIXUONQLHONDT-UHFFFAOYSA-N 0 0 339.365 3.443 20 10 EGCDRN C[C@H]1CCC[C@H]1CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187662466 455935869 /nfs/dbraw/zinc/93/58/69/455935869.db2.gz QONRLXYCENBIBQ-HOCLYGCPSA-N 0 0 348.462 3.229 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187799440 455954519 /nfs/dbraw/zinc/95/45/19/455954519.db2.gz BRWKPVDSEGDFRX-OHUAYANFSA-N 0 0 329.412 3.376 20 10 EGCDRN CC(=O)Nc1cccc2c1CCCN2Cc1c[nH]nc1-c1cccnc1 ZINC000272530076 455983711 /nfs/dbraw/zinc/98/37/11/455983711.db2.gz MSOVRJRTSVKNMM-UHFFFAOYSA-N 0 0 347.422 3.383 20 10 EGCDRN CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286229927 456005113 /nfs/dbraw/zinc/00/51/13/456005113.db2.gz STWLVPHFYGMMJJ-YOEHRIQHSA-N 0 0 337.366 3.151 20 10 EGCDRN CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286229916 456005299 /nfs/dbraw/zinc/00/52/99/456005299.db2.gz STWLVPHFYGMMJJ-PBHICJAKSA-N 0 0 337.366 3.151 20 10 EGCDRN C[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)c1ncnn1C ZINC000296745083 456027074 /nfs/dbraw/zinc/02/70/74/456027074.db2.gz KENXHKSVPJNMQT-AWEZNQCLSA-N 0 0 341.484 3.364 20 10 EGCDRN O=C([O-])c1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000296757630 456030489 /nfs/dbraw/zinc/03/04/89/456030489.db2.gz FAXNRLGYAXCIPT-SFHVURJKSA-N 0 0 341.407 3.272 20 10 EGCDRN CCOc1ccc(OCCCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000262588780 456044633 /nfs/dbraw/zinc/04/46/33/456044633.db2.gz YLRVAELDCRKVRT-UHFFFAOYSA-N 0 0 342.439 3.185 20 10 EGCDRN CC(=O)c1cc(Cl)cc(CN(CCCO)Cc2ccccn2)c1O ZINC000286945681 456057803 /nfs/dbraw/zinc/05/78/03/456057803.db2.gz OBCVLPIDVPGKPE-UHFFFAOYSA-N 0 0 348.830 3.028 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)C3CC3)cc2F)C[C@H](C)O1 ZINC000287228686 456064787 /nfs/dbraw/zinc/06/47/87/456064787.db2.gz QJYRBMLMNJZVMB-OKILXGFUSA-N 0 0 348.462 3.492 20 10 EGCDRN Cc1nc(C)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)s1 ZINC000272813148 456076500 /nfs/dbraw/zinc/07/65/00/456076500.db2.gz JSPAPUCUZPLZTI-UHFFFAOYSA-N 0 0 332.429 3.257 20 10 EGCDRN 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COCC[S@](=O)Cc1cccc(NCc2ccc(C)cc2O)c1 ZINC000876861672 1299038505 /nfs/dbraw/zinc/03/85/05/1299038505.db2.gz CWBCUDQDNKSZJH-QHCPKHFHSA-N 0 0 333.453 3.208 20 10 EGCDRN COC[C@H](C)N(C(=O)Cc1ccc(N)cc1)[C@@H]1CCc2ccccc21 ZINC000877111757 1299160750 /nfs/dbraw/zinc/16/07/50/1299160750.db2.gz LHVURMNBKQLKST-MGPUTAFESA-N 0 0 338.451 3.362 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(F)n1 ZINC000749243618 1299175395 /nfs/dbraw/zinc/17/53/95/1299175395.db2.gz LUNPOMMNLKSGKP-UHFFFAOYSA-N 0 0 330.407 3.018 20 10 EGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2SCCc3ccccc32)c1 ZINC000749295409 1299188326 /nfs/dbraw/zinc/18/83/26/1299188326.db2.gz HKBISBUOKRQAIT-KRWDZBQOSA-N 0 0 330.409 3.421 20 10 EGCDRN CC[C@@](C)(NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000749365518 1299202094 /nfs/dbraw/zinc/20/20/94/1299202094.db2.gz XIUZSOSXMOEOOA-MRXNPFEDSA-N 0 0 345.409 3.032 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)c2cnn(C)c2)cc1 ZINC000749878321 1299289906 /nfs/dbraw/zinc/28/99/06/1299289906.db2.gz IAKXDIHGZLYAMQ-OAHLLOKOSA-N 0 0 328.460 3.028 20 10 EGCDRN COC(=O)[C@@H](NCc1ccc(C)cc1O)c1ccc(OC)c(Cl)c1 ZINC000877425719 1299290889 /nfs/dbraw/zinc/29/08/89/1299290889.db2.gz FFKOCDUQSDFHAS-KRWDZBQOSA-N 0 0 349.814 3.367 20 10 EGCDRN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000750096839 1299336946 /nfs/dbraw/zinc/33/69/46/1299336946.db2.gz QMKBUSGHODHFQZ-MRXNPFEDSA-N 0 0 346.383 3.172 20 10 EGCDRN Cc1ccc2c(COC(=O)c3ccc(C)c(O)c3O)cc(=O)oc2c1 ZINC000750623428 1299435946 /nfs/dbraw/zinc/43/59/46/1299435946.db2.gz WEDNSPZPNVIIGF-UHFFFAOYSA-N 0 0 340.331 3.178 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccn2Cc2ccncc2)cc1 ZINC000751304570 1299533996 /nfs/dbraw/zinc/53/39/96/1299533996.db2.gz APCVMMOJQYSYQV-UHFFFAOYSA-N 0 0 348.450 3.270 20 10 EGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccccc1O ZINC000751305117 1299534097 /nfs/dbraw/zinc/53/40/97/1299534097.db2.gz BESFFJDFTIEYRU-UHFFFAOYSA-N 0 0 330.347 3.354 20 10 EGCDRN Cc1noc(Cl)c1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000751384681 1299544576 /nfs/dbraw/zinc/54/45/76/1299544576.db2.gz FCCAERMOSZPJRJ-UHFFFAOYSA-N 0 0 347.846 3.486 20 10 EGCDRN Cc1c[nH]cc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000751405848 1299545737 /nfs/dbraw/zinc/54/57/37/1299545737.db2.gz NHJFNAWDBQTWBY-SFHVURJKSA-N 0 0 341.455 3.211 20 10 EGCDRN Cc1ccc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c(O)c1O ZINC000751536586 1299564940 /nfs/dbraw/zinc/56/49/40/1299564940.db2.gz ZSQFYBDBWJJYAR-CYBMUJFWSA-N 0 0 333.771 3.313 20 10 EGCDRN Cc1cccc2c1N[C@@H](c1ccc(Br)cc1O)NC2=O ZINC000877845134 1299607599 /nfs/dbraw/zinc/60/75/99/1299607599.db2.gz CYWGMNZQRKPDDA-CQSZACIVSA-N 0 0 333.185 3.317 20 10 EGCDRN CN(C)c1ccc([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1F ZINC000877856291 1299610856 /nfs/dbraw/zinc/61/08/56/1299610856.db2.gz AEQBLHJIIDEZRJ-KRWDZBQOSA-N 0 0 333.451 3.291 20 10 EGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Br)ccc1O)N2 ZINC000877861688 1299614276 /nfs/dbraw/zinc/61/42/76/1299614276.db2.gz NOVUNJFKKBBHCZ-CQSZACIVSA-N 0 0 333.185 3.317 20 10 EGCDRN Nc1ccc(Cc2nc(C(=O)OCc3ccccn3)cs2)cc1 ZINC000751918002 1299652126 /nfs/dbraw/zinc/65/21/26/1299652126.db2.gz CCKBQNOHOUOVOI-UHFFFAOYSA-N 0 0 325.393 3.068 20 10 EGCDRN CCc1oc(C(=O)OC)cc1CN(C)c1ccc(OC)cc1OC ZINC000752126421 1299700955 /nfs/dbraw/zinc/70/09/55/1299700955.db2.gz RVSABQSYHUEFCB-UHFFFAOYSA-N 0 0 333.384 3.282 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H](C)n2ccnc2)cc1 ZINC000752763562 1299789235 /nfs/dbraw/zinc/78/92/35/1299789235.db2.gz YCHWZFSDYUVLMK-INIZCTEOSA-N 0 0 328.460 3.339 20 10 EGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(C2CC2)o1 ZINC000878292854 1299897781 /nfs/dbraw/zinc/89/77/81/1299897781.db2.gz RXSJEXPKXDSUEG-UHFFFAOYSA-N 0 0 343.452 3.035 20 10 EGCDRN CCCN(CC(=O)OC)Cc1ccc(OCc2ccccc2)cc1O ZINC000753527324 1299961479 /nfs/dbraw/zinc/96/14/79/1299961479.db2.gz LBEZNCCGFCBVKB-UHFFFAOYSA-N 0 0 343.423 3.356 20 10 EGCDRN Oc1cc(OCc2ccccc2)ccc1CN1CCn2ccnc2C1 ZINC000753530316 1299962787 /nfs/dbraw/zinc/96/27/87/1299962787.db2.gz LLQSQNFJTMNLAR-UHFFFAOYSA-N 0 0 335.407 3.184 20 10 EGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc(C2CC2)o1 ZINC000878489824 1300031478 /nfs/dbraw/zinc/03/14/78/1300031478.db2.gz VLKJSDJVOBHFTE-UHFFFAOYSA-N 0 0 325.412 3.472 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)c3c[nH]cc3C3CC3)CC2)cc1 ZINC000878633349 1300118965 /nfs/dbraw/zinc/11/89/65/1300118965.db2.gz RIWJQEFNBGVWDU-UHFFFAOYSA-N 0 0 339.439 3.300 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(F)(F)F)ccn2)c1 ZINC000878729864 1300164389 /nfs/dbraw/zinc/16/43/89/1300164389.db2.gz AGYIXVXNIKXCEX-VIFPVBQESA-N 0 0 340.301 3.306 20 10 EGCDRN Cc1cc(C)c(O)c(CN2CCCc3ccc(S(C)(=O)=O)cc32)c1 ZINC000754730460 1300201896 /nfs/dbraw/zinc/20/18/96/1300201896.db2.gz PJEDUVAGUFHNPV-UHFFFAOYSA-N 0 0 345.464 3.365 20 10 EGCDRN CCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756357624 1300474613 /nfs/dbraw/zinc/47/46/13/1300474613.db2.gz NZPCQFQPFFZVPG-MNOVXSKESA-N 0 0 345.256 3.429 20 10 EGCDRN C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756440438 1300491143 /nfs/dbraw/zinc/49/11/43/1300491143.db2.gz DLKYQHVNFKKIKP-LLVKDONJSA-N 0 0 326.387 3.160 20 10 EGCDRN C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756446551 1300493914 /nfs/dbraw/zinc/49/39/14/1300493914.db2.gz RUVAAKIDKOFCRQ-QWQRMKEZSA-N 0 0 335.448 3.462 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(OC)c(F)c2)c1 ZINC000756539941 1300517134 /nfs/dbraw/zinc/51/71/34/1300517134.db2.gz XQTWOSJSPUCWBR-GFCCVEGCSA-N 0 0 347.386 3.220 20 10 EGCDRN C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(Br)cc(Cl)c1[O-] ZINC000756554111 1300520264 /nfs/dbraw/zinc/52/02/64/1300520264.db2.gz MTMWFWRZSHRPHS-SSDOTTSWSA-N 0 0 330.613 3.382 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Br)c(F)cc1[O-] ZINC000756571662 1300524424 /nfs/dbraw/zinc/52/44/24/1300524424.db2.gz CVFVAYISGFCCDA-ZEGGKSINSA-N 0 0 332.213 3.248 20 10 EGCDRN CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756576948 1300525413 /nfs/dbraw/zinc/52/54/13/1300525413.db2.gz WNHNQBKBZVJIMJ-ATEUNZGCSA-N 0 0 334.229 3.351 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756673878 1300546245 /nfs/dbraw/zinc/54/62/45/1300546245.db2.gz AFEPEIAXGLAQJK-SJCJKPOMSA-N 0 0 346.377 3.122 20 10 EGCDRN C[C@H]([NH2+]CCn1cccn1)c1cc(Br)cc(Cl)c1[O-] ZINC000756688195 1300547737 /nfs/dbraw/zinc/54/77/37/1300547737.db2.gz YXSSHZSAHVLRSB-VIFPVBQESA-N 0 0 344.640 3.355 20 10 EGCDRN COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756703053 1300550576 /nfs/dbraw/zinc/55/05/76/1300550576.db2.gz DWELTHBRTYTHSJ-XHDPSFHLSA-N 0 0 344.367 3.483 20 10 EGCDRN CC[C@H](O)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756731547 1300555540 /nfs/dbraw/zinc/55/55/40/1300555540.db2.gz CAMLDKJLLWUYPQ-ZJUUUORDSA-N 0 0 334.229 3.496 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000756731431 1300555611 /nfs/dbraw/zinc/55/56/11/1300555611.db2.gz AJWBOQDJKSQFTF-QANKJYHBSA-N 0 0 325.408 3.461 20 10 EGCDRN C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Br)cc(F)c1[O-] ZINC000756740072 1300557738 /nfs/dbraw/zinc/55/77/38/1300557738.db2.gz PTGXDSDGEVKREP-OQPBUACISA-N 0 0 332.213 3.105 20 10 EGCDRN C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000756769781 1300562583 /nfs/dbraw/zinc/56/25/83/1300562583.db2.gz NJNCUHHPIAXVSO-SCZZXKLOSA-N 0 0 332.213 3.105 20 10 EGCDRN C[C@@H]1C[C@@H](Nc2ccc3c(c2)n(C)c(=O)n3C)c2c1c(F)ccc2O ZINC000756831320 1300572707 /nfs/dbraw/zinc/57/27/07/1300572707.db2.gz NMPBQLGIYUKTFL-ZWNOBZJWSA-N 0 0 341.386 3.382 20 10 EGCDRN C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(F)cc(F)c1O ZINC000756839675 1300573313 /nfs/dbraw/zinc/57/33/13/1300573313.db2.gz HICDAORJADKZEK-SECBINFHSA-N 0 0 334.322 3.199 20 10 EGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(NC(C)=O)cc2)c1 ZINC000756866297 1300581232 /nfs/dbraw/zinc/58/12/32/1300581232.db2.gz ZTHPLWYOAKRAIR-NSHDSACASA-N 0 0 328.368 3.310 20 10 EGCDRN C[C@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc(F)ccc1O ZINC000756890972 1300584273 /nfs/dbraw/zinc/58/42/73/1300584273.db2.gz DQPHAOOHTTVGGO-NSHDSACASA-N 0 0 343.358 3.103 20 10 EGCDRN CCC(=O)c1cc(C(=O)NCc2cc(OC)ccc2O)ccc1F ZINC000757101145 1300639985 /nfs/dbraw/zinc/63/99/85/1300639985.db2.gz NTOLEAKHCZWOPX-UHFFFAOYSA-N 0 0 331.343 3.063 20 10 EGCDRN CC[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)O1 ZINC000757365167 1300668577 /nfs/dbraw/zinc/66/85/77/1300668577.db2.gz UVOYDHPSFJGRTQ-FZKQIMNGSA-N 0 0 349.386 3.358 20 10 EGCDRN COc1ccc(N(C)CC(=O)N2CCc3ccccc32)cc1Cl ZINC000757856021 1300747555 /nfs/dbraw/zinc/74/75/55/1300747555.db2.gz JDFCFZZEOAOVRN-UHFFFAOYSA-N 0 0 330.815 3.374 20 10 EGCDRN O=C(NCCCSc1nccs1)NCc1ccc2c(c1)CCO2 ZINC000759574356 1301120575 /nfs/dbraw/zinc/12/05/75/1301120575.db2.gz PTVPMWFRJWDPQM-UHFFFAOYSA-N 0 0 349.481 3.060 20 10 EGCDRN O=C(C=Cc1ccc(O)c(O)c1)O[C@H]1CCCc2ccccc2C1=O ZINC000759588453 1301123715 /nfs/dbraw/zinc/12/37/15/1301123715.db2.gz LNSVVHSKLWVCFQ-CKDFRHGISA-N 0 0 338.359 3.242 20 10 EGCDRN 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Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C)c(O)c1O)CCC2 ZINC000179492768 455052543 /nfs/dbraw/zinc/05/25/43/455052543.db2.gz RKQVUTROJKFQBS-CYBMUJFWSA-N 0 0 332.425 3.321 20 10 EGCDRN O=C(NC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1)c1ccccc1 ZINC000179642509 455063235 /nfs/dbraw/zinc/06/32/35/455063235.db2.gz PQFKQZQLJDRLSZ-UHFFFAOYSA-N 0 0 344.842 3.440 20 10 EGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@@H]2CCCO2)cc1 ZINC000171489902 455073687 /nfs/dbraw/zinc/07/36/87/455073687.db2.gz AHORWAUMWVALMK-HNNXBMFYSA-N 0 0 344.377 3.213 20 10 EGCDRN CN(C)c1ccc(CNC(=O)Cc2ccccc2OC(F)F)cc1 ZINC000118195721 455099713 /nfs/dbraw/zinc/09/97/13/455099713.db2.gz GPQOQDMMBFUUEA-UHFFFAOYSA-N 0 0 334.366 3.213 20 10 EGCDRN CCCn1nc(C)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC000156335407 455106596 /nfs/dbraw/zinc/10/65/96/455106596.db2.gz PTQBEQKFLHDYJO-UHFFFAOYSA-N 0 0 341.455 3.424 20 10 EGCDRN COC[C@H](C)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000172492090 455157523 /nfs/dbraw/zinc/15/75/23/455157523.db2.gz JHGDTMQONSPUTC-MRXNPFEDSA-N 0 0 333.476 3.101 20 10 EGCDRN COc1cccc(CNC(=O)CSc2ccc(C)cc2C)c1O ZINC000264301577 455197024 /nfs/dbraw/zinc/19/70/24/455197024.db2.gz XVRZLUICWZTWRH-UHFFFAOYSA-N 0 0 331.437 3.426 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000180627423 455212340 /nfs/dbraw/zinc/21/23/40/455212340.db2.gz UPQYFQQNXNOXLB-KRXBUXKQSA-N 0 0 337.375 3.133 20 10 EGCDRN COc1ccccc1[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183440049 455292931 /nfs/dbraw/zinc/29/29/31/455292931.db2.gz IREWUZDKDAPDAC-UONOGXRCSA-N 0 0 343.423 3.347 20 10 EGCDRN CN(C)c1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1F ZINC000264946571 455298647 /nfs/dbraw/zinc/29/86/47/455298647.db2.gz ITSYDBQRIKSZEE-UHFFFAOYSA-N 0 0 328.435 3.177 20 10 EGCDRN O=C(CSC(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000265368609 455313841 /nfs/dbraw/zinc/31/38/41/455313841.db2.gz CKLGXPYRDDCZLL-GFCCVEGCSA-N 0 0 349.374 3.153 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000181327185 455318392 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CC1CCN(c2ccc(CNC(=O)NCc3ccn(C)c3)cc2)CC1 ZINC000267098117 455500527 /nfs/dbraw/zinc/50/05/27/455500527.db2.gz SNPRHHWDEGWMOQ-UHFFFAOYSA-N 0 0 340.471 3.261 20 10 EGCDRN CCS[C@H]1CCC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1 ZINC000175872107 455508717 /nfs/dbraw/zinc/50/87/17/455508717.db2.gz DQHCIBAZOAAZNO-KGLIPLIRSA-N 0 0 338.473 3.264 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000160934939 455515727 /nfs/dbraw/zinc/51/57/27/455515727.db2.gz XYCRDGGQRRMVIO-OAHLLOKOSA-N 0 0 346.496 3.148 20 10 EGCDRN CON(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000283821476 455599651 /nfs/dbraw/zinc/59/96/51/455599651.db2.gz PZLFGWWZMSGBBD-GFCCVEGCSA-N 0 0 325.840 3.279 20 10 EGCDRN COCCC(C)(C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000185751050 455614053 /nfs/dbraw/zinc/61/40/53/455614053.db2.gz RZCZXEUULNKYCX-UHFFFAOYSA-N 0 0 329.444 3.282 20 10 EGCDRN CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000186086758 455690790 /nfs/dbraw/zinc/69/07/90/455690790.db2.gz RZXNZVNSVMAQQY-FPOVZHCZSA-N 0 0 344.499 3.194 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccccc2)c1[O-] ZINC000271609865 455700317 /nfs/dbraw/zinc/70/03/17/455700317.db2.gz BIEJBEHQZJIUBE-QGZVFWFLSA-N 0 0 333.815 3.462 20 10 EGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccn(C)c2)cc1 ZINC000268741423 455712551 /nfs/dbraw/zinc/71/25/51/455712551.db2.gz QBCBLWVFRTVBFI-UHFFFAOYSA-N 0 0 339.361 3.296 20 10 EGCDRN CCNC(=O)COc1ccc(N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000186263108 455728594 /nfs/dbraw/zinc/72/85/94/455728594.db2.gz XXMTXMONGTZPHN-CYBMUJFWSA-N 0 0 344.411 3.089 20 10 EGCDRN COc1ccc(N(C[C@@H](O)COCC(F)(F)F)[C@@H](C)C2CC2)cc1 ZINC000293067065 455773925 /nfs/dbraw/zinc/77/39/25/455773925.db2.gz ZIAYTURZGSSBRW-SWLSCSKDSA-N 0 0 347.377 3.240 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@]23CCOC3=O)cc1 ZINC000186460984 455774041 /nfs/dbraw/zinc/77/40/41/455774041.db2.gz CXJBRROVGKKHHK-HXUWFJFHSA-N 0 0 338.407 3.016 20 10 EGCDRN CC(=O)C1(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000293392182 455784826 /nfs/dbraw/zinc/78/48/26/455784826.db2.gz XDNAQOZWAFXETK-UHFFFAOYSA-N 0 0 328.456 3.441 20 10 EGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278212339 455787841 /nfs/dbraw/zinc/78/78/41/455787841.db2.gz KJFMSHMMSZALHW-AWEZNQCLSA-N 0 0 328.368 3.299 20 10 EGCDRN CC(C)(CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000293481718 455788313 /nfs/dbraw/zinc/78/83/13/455788313.db2.gz SYLDNZZOAWADRF-UHFFFAOYSA-N 0 0 348.462 3.229 20 10 EGCDRN O=C(NCc1ccccc1O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293689542 455795238 /nfs/dbraw/zinc/79/52/38/455795238.db2.gz LNEXTTYONFVMNT-UHFFFAOYSA-N 0 0 343.398 3.187 20 10 EGCDRN COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc(OC)c1C ZINC000294009076 455803127 /nfs/dbraw/zinc/80/31/27/455803127.db2.gz UBESLBACHXIWOR-UHFFFAOYSA-N 0 0 348.355 3.247 20 10 EGCDRN O=C(NCCCCOCCc1ccccc1)c1c(F)ccc(O)c1O ZINC000294806480 455828549 /nfs/dbraw/zinc/82/85/49/455828549.db2.gz IWMVJJJADFSTGV-UHFFFAOYSA-N 0 0 347.386 3.006 20 10 EGCDRN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1c(F)ccc(O)c1O ZINC000294896077 455830886 /nfs/dbraw/zinc/83/08/86/455830886.db2.gz RFSCWRYFKKDHGR-FZKQIMNGSA-N 0 0 345.370 3.135 20 10 EGCDRN CN(C)c1ccc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000278398324 455835005 /nfs/dbraw/zinc/83/50/05/455835005.db2.gz BGHGJCSPYDRKDZ-UHFFFAOYSA-N 0 0 339.483 3.410 20 10 EGCDRN O=C(NCCc1ccc(O)c(O)c1)C1CCC(C(F)(F)F)CC1 ZINC000278449962 455836073 /nfs/dbraw/zinc/83/60/73/455836073.db2.gz QRPYBHWXKGSYPL-UHFFFAOYSA-N 0 0 331.334 3.125 20 10 EGCDRN C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278521404 455838597 /nfs/dbraw/zinc/83/85/97/455838597.db2.gz SJYANBVRBGIMDT-LLVKDONJSA-N 0 0 345.270 3.214 20 10 EGCDRN CCOC(=O)c1cnc(C(C)=Cc2ccc(N(C)C)c(F)c2)[nH]c1=O ZINC000278646382 455843388 /nfs/dbraw/zinc/84/33/88/455843388.db2.gz GKWMSRLWCKDOTG-DHZHZOJOSA-N 0 0 345.374 3.125 20 10 EGCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccccc2C)s1 ZINC000295370438 455848116 /nfs/dbraw/zinc/84/81/16/455848116.db2.gz SJDMAWHOQBVLMI-JTQLQIEISA-N 0 0 336.438 3.357 20 10 EGCDRN CCN(CC)c1ccc(CNc2nccc(-c3cnn(C)c3)n2)cc1 ZINC000278793418 455848190 /nfs/dbraw/zinc/84/81/90/455848190.db2.gz QLLLBHLZFYCUBA-UHFFFAOYSA-N 0 0 336.443 3.335 20 10 EGCDRN Cc1cc(C(=O)N2CCC(CO)CC2)c(C)n1-c1ccccc1C ZINC000269589011 455848865 /nfs/dbraw/zinc/84/88/65/455848865.db2.gz SKZBRLQLSXBLPF-UHFFFAOYSA-N 0 0 326.440 3.247 20 10 EGCDRN CC(C)N(Cc1nnc2n1CCCCC2)Cc1ccc(N(C)C)cc1 ZINC000269554676 455849031 /nfs/dbraw/zinc/84/90/31/455849031.db2.gz ZRTKYXNTVHRHSZ-UHFFFAOYSA-N 0 0 341.503 3.481 20 10 EGCDRN COc1ccc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)cc1F ZINC000254981422 455857271 /nfs/dbraw/zinc/85/72/71/455857271.db2.gz YLCQNTFNSXGVAA-YFHOEESVSA-N 0 0 337.354 3.454 20 10 EGCDRN COC(=O)[C@@H]1CCN(C(=O)/C=C\c2cncc(C)c2)c2ccccc21 ZINC000255386483 455866508 /nfs/dbraw/zinc/86/65/08/455866508.db2.gz XCTXAARWOLLFPC-ZPUOCTKUSA-N 0 0 336.391 3.097 20 10 EGCDRN COCCn1cc(NCc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000279801805 455873893 /nfs/dbraw/zinc/87/38/93/455873893.db2.gz DTZPDDNHVVDTJM-UHFFFAOYSA-N 0 0 342.365 3.226 20 10 EGCDRN O=C1N[C@@H](c2ccccc2)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000272196136 455873990 /nfs/dbraw/zinc/87/39/90/455873990.db2.gz DRYRJHNEAZSQPK-SFHVURJKSA-N 0 0 335.407 3.080 20 10 EGCDRN CC[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(F)cc1[O-] ZINC000285601956 455879484 /nfs/dbraw/zinc/87/94/84/455879484.db2.gz JTVDCOZYAALWCD-SFHVURJKSA-N 0 0 340.402 3.412 20 10 EGCDRN CCOC(=O)c1cnccc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000280065260 455882837 /nfs/dbraw/zinc/88/28/37/455882837.db2.gz PFDYLVVDCXRZMJ-UHFFFAOYSA-N 0 0 348.406 3.428 20 10 EGCDRN Cc1ncc(/C=C/C(=O)N(C)c2cccc(Br)n2)s1 ZINC000187267380 455889637 /nfs/dbraw/zinc/88/96/37/455889637.db2.gz OOCGNPLXSVIQGL-VOTSOKGWSA-N 0 0 338.230 3.285 20 10 EGCDRN COCCN(Cc1cc(OC)cc(C)n1)c1ccc(OC)c(OC)c1 ZINC000270222466 455905927 /nfs/dbraw/zinc/90/59/27/455905927.db2.gz FUMLEOBGDHTJJF-UHFFFAOYSA-N 0 0 346.427 3.069 20 10 EGCDRN CCN(C)c1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1 ZINC000285861655 455929466 /nfs/dbraw/zinc/92/94/66/455929466.db2.gz ZSIDOHXKLKCBDG-HNNXBMFYSA-N 0 0 338.517 3.151 20 10 EGCDRN COCC(=O)N1CCc2cc(N[C@@H](C)c3ccc(F)cc3O)ccc21 ZINC000187667930 455935857 /nfs/dbraw/zinc/93/58/57/455935857.db2.gz IMZMDWOHKRJYKT-LBPRGKRZSA-N 0 0 344.386 3.240 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000270384864 455944325 /nfs/dbraw/zinc/94/43/25/455944325.db2.gz QHPNLRXMQNCGSK-KRWDZBQOSA-N 0 0 326.440 3.165 20 10 EGCDRN Cc1cnc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000296463770 455945241 /nfs/dbraw/zinc/94/52/41/455945241.db2.gz OYCHRLMVJMFROG-STQMWFEESA-N 0 0 349.475 3.494 20 10 EGCDRN COc1c([O-])c(C[NH2+]CCCc2ccccc2F)ccc1[N+](=O)[O-] ZINC000280352014 455953303 /nfs/dbraw/zinc/95/33/03/455953303.db2.gz SXOYTPQXKNJJOL-UHFFFAOYSA-N 0 0 334.347 3.171 20 10 EGCDRN CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000285980823 455954009 /nfs/dbraw/zinc/95/40/09/455954009.db2.gz HPGUADIGEYFNMV-QGZVFWFLSA-N 0 0 330.403 3.231 20 10 EGCDRN COCC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000272462093 455958952 /nfs/dbraw/zinc/95/89/52/455958952.db2.gz CPBOZDCERLQOAR-HNNXBMFYSA-N 0 0 349.406 3.062 20 10 EGCDRN CC(C)Oc1cccc(CN(C)C(=O)c2c(F)ccc(O)c2O)c1 ZINC000296537435 455966742 /nfs/dbraw/zinc/96/67/42/455966742.db2.gz NPPOEJYKTAXJSD-UHFFFAOYSA-N 0 0 333.359 3.296 20 10 EGCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc([S@@](C)=O)cc1 ZINC000270521043 455974413 /nfs/dbraw/zinc/97/44/13/455974413.db2.gz YYJJKUNWEVPILN-RKNYENMMSA-N 0 0 346.452 3.032 20 10 EGCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc([S@](C)=O)cc1 ZINC000270521046 455974544 /nfs/dbraw/zinc/97/45/44/455974544.db2.gz YYJJKUNWEVPILN-RZFZLAGVSA-N 0 0 346.452 3.032 20 10 EGCDRN CC[C@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccc(F)cc1[O-] ZINC000286223000 456002543 /nfs/dbraw/zinc/00/25/43/456002543.db2.gz SJLURAUNNOOZHF-KRWDZBQOSA-N 0 0 347.386 3.324 20 10 EGCDRN CCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000280668738 456027016 /nfs/dbraw/zinc/02/70/16/456027016.db2.gz UANLTAARNLULFT-UHFFFAOYSA-N 0 0 345.873 3.191 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1[O-] ZINC000188249503 456030349 /nfs/dbraw/zinc/03/03/49/456030349.db2.gz HWWNYBKGDZXLJJ-HNNXBMFYSA-N 0 0 340.807 3.345 20 10 EGCDRN Cc1cccc(CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000286815743 456054930 /nfs/dbraw/zinc/05/49/30/456054930.db2.gz JZVGGXKUDVXHNQ-UHFFFAOYSA-N 0 0 340.471 3.230 20 10 EGCDRN C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)C3CC3)cc2F)C[C@H](C)O1 ZINC000287228679 456064764 /nfs/dbraw/zinc/06/47/64/456064764.db2.gz QJYRBMLMNJZVMB-KBPBESRZSA-N 0 0 348.462 3.492 20 10 EGCDRN CC[C@@H](NC(=O)NCc1ccccc1O)c1ccc(OC)c(OC)c1 ZINC000287426128 456069605 /nfs/dbraw/zinc/06/96/05/456069605.db2.gz GJDQUWQNIFJDGZ-OAHLLOKOSA-N 0 0 344.411 3.360 20 10 EGCDRN CC[C@@H]([NH2+]CCCOCCOCCOC)c1cccc(Cl)c1[O-] ZINC000287565684 456072213 /nfs/dbraw/zinc/07/22/13/456072213.db2.gz 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/nfs/dbraw/zinc/62/76/91/1390627691.db2.gz XHSKQLDVSKKNRY-UHFFFAOYSA-N 0 0 335.458 3.133 20 10 EGCDRN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001342952148 1390677116 /nfs/dbraw/zinc/67/71/16/1390677116.db2.gz QAKSGAIWHPMLJS-GLEZIHRCSA-N 0 0 345.742 3.043 20 10 EGCDRN CC[C@@H](CNC(=O)NCc1ccc(N)cc1)Oc1ccccc1C ZINC001335487209 1390691586 /nfs/dbraw/zinc/69/15/86/1390691586.db2.gz VTDTWILUQFPPSA-KRWDZBQOSA-N 0 0 327.428 3.234 20 10 EGCDRN Nc1ccc(CNC(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC001335545832 1390701707 /nfs/dbraw/zinc/70/17/07/1390701707.db2.gz KPAIZRLCDUIKQV-MRXNPFEDSA-N 0 0 329.375 3.121 20 10 EGCDRN CCC[C@H]1CCCN1c1nnc(C2SC=CC2=O)n1CCOC ZINC001343264345 1390703495 /nfs/dbraw/zinc/70/34/95/1390703495.db2.gz SOOSSTKJAQKEDN-LBPRGKRZSA-N 0 0 336.461 3.128 20 10 EGCDRN O=C1C=CSC1c1nnc(N2CCCCC2)n1C[C@@H]1CCCCO1 ZINC001344250801 1390777746 /nfs/dbraw/zinc/77/77/46/1390777746.db2.gz AAOOTYJDDAENHF-ZDUSSCGKSA-N 0 0 348.472 3.272 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C12CCC(CC1)CC2 ZINC001346429366 1390936390 /nfs/dbraw/zinc/93/63/90/1390936390.db2.gz NCBVHPHGCGPLAV-UHFFFAOYSA-N 0 0 342.483 3.452 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ncccc1C ZINC001347227924 1391032515 /nfs/dbraw/zinc/03/25/15/1391032515.db2.gz KARDDMQEQYETPC-HNNXBMFYSA-N 0 0 326.444 3.325 20 10 EGCDRN C[C@H]1CN(c2nnc(C3SC=CC3=O)n2CC2CC2)CC(C)(C)O1 ZINC001348191370 1391183841 /nfs/dbraw/zinc/18/38/41/1391183841.db2.gz JSWOWWYFFRGUEH-NSHDSACASA-N 0 0 348.472 3.126 20 10 EGCDRN COc1cccc([C@H]2CCCN2C(=O)NCCc2ccc(N)cc2)c1 ZINC001348563513 1391239183 /nfs/dbraw/zinc/23/91/83/1391239183.db2.gz VPHAPXVOEWEHFQ-LJQANCHMSA-N 0 0 339.439 3.367 20 10 EGCDRN COc1ccc(CNC(=O)CCCCc2cccc(O)c2)c(O)c1 ZINC001348588647 1391241838 /nfs/dbraw/zinc/24/18/38/1391241838.db2.gz GEYLBGJQMZNVBS-UHFFFAOYSA-N 0 0 329.396 3.136 20 10 EGCDRN CCN(CC(OC)OC)C(=O)c1sccc1-n1c(C)ccc1C ZINC001349177322 1391308560 /nfs/dbraw/zinc/30/85/60/1391308560.db2.gz MATWLSGLOZLYCM-UHFFFAOYSA-N 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329.396 3.255 20 10 EGCDRN C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593295225 994689590 /nfs/dbraw/zinc/68/95/90/994689590.db2.gz CWPCRKZTUUKMCL-LBPRGKRZSA-N 0 0 329.396 3.169 20 10 EGCDRN Cc1ncsc1/C=C1/CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O ZINC000078693030 282229409 /nfs/dbraw/zinc/22/94/09/282229409.db2.gz CUUTXEKONYJVHR-POHAHGRESA-N 0 0 340.364 3.014 20 10 EGCDRN COc1ccc(N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000069378585 215393877 /nfs/dbraw/zinc/39/38/77/215393877.db2.gz MOLITQOHXGWKCS-UHFFFAOYSA-N 0 0 328.372 3.079 20 10 EGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1cccc2c1OCO2 ZINC000040139737 213271555 /nfs/dbraw/zinc/27/15/55/213271555.db2.gz ZSHNYNZDTADDDE-ZROIWOOFSA-N 0 0 330.409 3.308 20 10 EGCDRN Cc1noc(C)c1[C@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000156944029 224744636 /nfs/dbraw/zinc/74/46/36/224744636.db2.gz PVDWSJUMTOUTRB-GFCCVEGCSA-N 0 0 343.427 3.277 20 10 EGCDRN CN(C(=O)/C=C/c1cn(C)c2ccccc12)c1ccc([N+](=O)[O-])nc1 ZINC000493531733 311391122 /nfs/dbraw/zinc/39/11/22/311391122.db2.gz UZISEGUIGIKLFE-JXMROGBWSA-N 0 0 336.351 3.158 20 10 EGCDRN O=C1/C(=C/c2ccc([N+](=O)[O-])s2)SC(=S)N1C1CCC1 ZINC000292372010 455645093 /nfs/dbraw/zinc/64/50/93/455645093.db2.gz SKXGCZVLHRUGDY-TWGQIWQCSA-N 0 0 326.424 3.410 20 10 EGCDRN COC(=O)[C@@H](NCc1cc(OC)ccc1O)c1cc(C)cc(C)c1 ZINC000189627482 455224379 /nfs/dbraw/zinc/22/43/79/455224379.db2.gz LUBKJGAVXQVVQD-SFHVURJKSA-N 0 0 329.396 3.022 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173279960 455258682 /nfs/dbraw/zinc/25/86/82/455258682.db2.gz OPJGMZZKACBWRL-UHFFFAOYSA-N 0 0 341.411 3.252 20 10 EGCDRN CCc1nn(C)c(Cl)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000158755555 455326915 /nfs/dbraw/zinc/32/69/15/455326915.db2.gz JVZZEQJXRKGAAI-UHFFFAOYSA-N 0 0 347.846 3.150 20 10 EGCDRN C[C@@H](CCCc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000181443057 455335476 /nfs/dbraw/zinc/33/54/76/455335476.db2.gz RBRFIGPCJDELMD-HNNXBMFYSA-N 0 0 327.424 3.416 20 10 EGCDRN Cc1noc(C)c1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000008780437 453235441 /nfs/dbraw/zinc/23/54/41/453235441.db2.gz RWGMISJZKZEMOK-UHFFFAOYSA-N 0 0 341.455 3.483 20 10 EGCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000031726908 453852692 /nfs/dbraw/zinc/85/26/92/453852692.db2.gz VEGXDEVHGZWACP-UHFFFAOYSA-N 0 0 349.381 3.353 20 10 EGCDRN CC(=O)Nc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000075160124 453867736 /nfs/dbraw/zinc/86/77/36/453867736.db2.gz VAJULOOXHAQDBM-UHFFFAOYSA-N 0 0 338.407 3.159 20 10 EGCDRN Cc1cccc(C)c1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054355881 453925302 /nfs/dbraw/zinc/92/53/02/453925302.db2.gz HSKVYYUVUAQQFF-UHFFFAOYSA-N 0 0 339.439 3.462 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(c3nnc[nH]3)CC2)cc1 ZINC000082981343 453931155 /nfs/dbraw/zinc/93/11/55/453931155.db2.gz QYXPJYWNXYNKHY-UHFFFAOYSA-N 0 0 349.438 3.232 20 10 EGCDRN COCCN(Cc1cnc(Cl)s1)c1ccc(OC)c(OC)c1 ZINC000083212086 453943808 /nfs/dbraw/zinc/94/38/08/453943808.db2.gz KPYFZHGBQVGHCU-UHFFFAOYSA-N 0 0 342.848 3.467 20 10 EGCDRN CCC1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000084164549 453974760 /nfs/dbraw/zinc/97/47/60/453974760.db2.gz WBKXHXYZMBFBSR-UHFFFAOYSA-N 0 0 345.487 3.245 20 10 EGCDRN CCN(C[C@@H]1CCCO1)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000068243460 454010653 /nfs/dbraw/zinc/01/06/53/454010653.db2.gz BQMTUICLHVQWLI-INIZCTEOSA-N 0 0 327.428 3.130 20 10 EGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1F ZINC000077165759 454069416 /nfs/dbraw/zinc/06/94/16/454069416.db2.gz ISTBVIRLSFRALR-UHFFFAOYSA-N 0 0 342.414 3.243 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000069518357 454115226 /nfs/dbraw/zinc/11/52/26/454115226.db2.gz WIANOSRPKTVQHG-UHFFFAOYSA-N 0 0 342.414 3.162 20 10 EGCDRN O=C(CCC(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000266424661 455428836 /nfs/dbraw/zinc/42/88/36/455428836.db2.gz GZFYVFLXPLXTJB-CYBMUJFWSA-N 0 0 331.334 3.242 20 10 EGCDRN Cn1cc(C=C2SC(NC3CCCC3)=NC2=O)c(C(C)(C)C)n1 ZINC000093901787 454178727 /nfs/dbraw/zinc/17/87/27/454178727.db2.gz 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COc1ccc([C@H](NC(=O)N[C@H](C)c2ccccc2O)C2CC2)cn1 ZINC000875934083 1298523143 /nfs/dbraw/zinc/52/31/43/1298523143.db2.gz ZAYFDNKDXNAKHO-KZULUSFZSA-N 0 0 341.411 3.307 20 10 EGCDRN Cc1cccc(C)c1NC(=O)CN1CCOc2cc(N(C)C)ccc21 ZINC000746495528 1298595961 /nfs/dbraw/zinc/59/59/61/1298595961.db2.gz AATZFRRVNOZTAP-UHFFFAOYSA-N 0 0 339.439 3.207 20 10 EGCDRN C[C@H](Oc1ccccc1F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746805019 1298663319 /nfs/dbraw/zinc/66/33/19/1298663319.db2.gz GGTKSIJZBGNEFY-LBPRGKRZSA-N 0 0 334.366 3.115 20 10 EGCDRN CN1CCCc2cc(CNC(=O)c3ccc(C(F)(F)F)cn3)ccc21 ZINC000746812146 1298664656 /nfs/dbraw/zinc/66/46/56/1298664656.db2.gz YHBMGRLGIWHOBF-UHFFFAOYSA-N 0 0 349.356 3.413 20 10 EGCDRN Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(N(C)C)c(F)c2)on1 ZINC000746978151 1298700329 /nfs/dbraw/zinc/70/03/29/1298700329.db2.gz LGAAFOLIHCXKSN-MRXNPFEDSA-N 0 0 346.406 3.235 20 10 EGCDRN Cc1cc(C(=O)OCC[C@H]2CCCC2=O)c(C)n1-c1ccccn1 ZINC000748175616 1298946348 /nfs/dbraw/zinc/94/63/48/1298946348.db2.gz HDPSOFUUVGTGMK-OAHLLOKOSA-N 0 0 326.396 3.405 20 10 EGCDRN Cc1cc(CC(=O)NCc2c[nH]cn2)c(C)n1-c1ccc(Cl)cc1 ZINC000748323265 1298984100 /nfs/dbraw/zinc/98/41/00/1298984100.db2.gz WSYBWILNCOOXPY-UHFFFAOYSA-N 0 0 342.830 3.330 20 10 EGCDRN Cc1ccc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)c(O)c1 ZINC000876807229 1298999840 /nfs/dbraw/zinc/99/98/40/1298999840.db2.gz ZJQRATCMILXQDC-WBVHZDCISA-N 0 0 333.453 3.087 20 10 EGCDRN OC1CCN(c2ccc(CNc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000876818919 1299013214 /nfs/dbraw/zinc/01/32/14/1299013214.db2.gz BHDARAOYUNREFT-UHFFFAOYSA-N 0 0 348.450 3.446 20 10 EGCDRN CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)OC ZINC000748787896 1299080340 /nfs/dbraw/zinc/08/03/40/1299080340.db2.gz RORXEGZODKKWSI-LJQANCHMSA-N 0 0 346.402 3.305 20 10 EGCDRN Cc1cc(C(=O)CN2CC[C@](C)(O)C2)c(C)n1-c1ccc(C)cc1 ZINC000748832194 1299089380 /nfs/dbraw/zinc/08/93/80/1299089380.db2.gz DVZSZJTUZINVNS-FQEVSTJZSA-N 0 0 326.440 3.042 20 10 EGCDRN Nc1ccc(Cc2nc(C(=O)N3CCC(F)(F)CC3)cs2)cc1 ZINC000877032693 1299121386 /nfs/dbraw/zinc/12/13/86/1299121386.db2.gz OQYPAJCUXFTKQP-UHFFFAOYSA-N 0 0 337.395 3.187 20 10 EGCDRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877078333 1299147636 /nfs/dbraw/zinc/14/76/36/1299147636.db2.gz MGZLAYBRPDKLGF-OAHLLOKOSA-N 0 0 340.423 3.221 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)Cc1ccncc1 ZINC000749620219 1299247574 /nfs/dbraw/zinc/24/75/74/1299247574.db2.gz LKKBIPVPKWQELE-OAHLLOKOSA-N 0 0 327.428 3.340 20 10 EGCDRN Cc1cccc(CCNC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000749715637 1299258824 /nfs/dbraw/zinc/25/88/24/1299258824.db2.gz WDJJBFKDJUFGHP-UHFFFAOYSA-N 0 0 337.467 3.419 20 10 EGCDRN CCNC(=S)N(C)Cc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000749834229 1299283795 /nfs/dbraw/zinc/28/37/95/1299283795.db2.gz VBZVPIUZSMYUFL-UHFFFAOYSA-N 0 0 331.485 3.429 20 10 EGCDRN COc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ccc1F ZINC000877459793 1299315412 /nfs/dbraw/zinc/31/54/12/1299315412.db2.gz MMJDQOZTEHXWJX-UHFFFAOYSA-N 0 0 330.403 3.408 20 10 EGCDRN C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC2(CCCC2)O1 ZINC000877608696 1299428085 /nfs/dbraw/zinc/42/80/85/1299428085.db2.gz UZLZWDDDFNNGMT-KRWDZBQOSA-N 0 0 344.499 3.181 20 10 EGCDRN CCOc1cccc(CN[C@@](CC)(C(=O)OC)c2ccccc2)c1O ZINC000877675714 1299471762 /nfs/dbraw/zinc/47/17/62/1299471762.db2.gz OJTBSRGRMMOKSN-HXUWFJFHSA-N 0 0 343.423 3.359 20 10 EGCDRN Cc1cc(Cl)ccc1S(=O)(=O)N(C)Cc1ccccc1O ZINC000751236703 1299526163 /nfs/dbraw/zinc/52/61/63/1299526163.db2.gz YOECPUZQKBKQCI-UHFFFAOYSA-N 0 0 325.817 3.175 20 10 EGCDRN CC(C)n1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC000751306536 1299535755 /nfs/dbraw/zinc/53/57/55/1299535755.db2.gz WQDYNRPAZAEHOG-UHFFFAOYSA-N 0 0 346.394 3.426 20 10 EGCDRN CCCCCN1CC(=O)N[C@H]1c1cc(OC)cc(C(C)(C)C)c1O ZINC000877852966 1299610087 /nfs/dbraw/zinc/61/00/87/1299610087.db2.gz HLWCDRILAQQCAZ-GOSISDBHSA-N 0 0 334.460 3.319 20 10 EGCDRN CN(C)c1cc(F)c([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1F ZINC000877857017 1299611616 /nfs/dbraw/zinc/61/16/16/1299611616.db2.gz KHMCIXJGRGWPSE-OAHLLOKOSA-N 0 0 339.430 3.286 20 10 EGCDRN O=C(c1ccc(F)cn1)N(Cc1ccco1)Cc1ccccc1O ZINC000752560647 1299757893 /nfs/dbraw/zinc/75/78/93/1299757893.db2.gz UEPDJRWZULFMON-UHFFFAOYSA-N 0 0 326.327 3.362 20 10 EGCDRN COC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000752924364 1299821824 /nfs/dbraw/zinc/82/18/24/1299821824.db2.gz ADHDICXVCFQSFN-PMGBHYCQSA-N 0 0 347.798 3.268 20 10 EGCDRN Cc1nc(C(C)C)ncc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000878219699 1299835534 /nfs/dbraw/zinc/83/55/34/1299835534.db2.gz QBUVKCZYUSVZAG-UHFFFAOYSA-N 0 0 338.455 3.439 20 10 EGCDRN Cc1coc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000878313537 1299912864 /nfs/dbraw/zinc/91/28/64/1299912864.db2.gz ZLWOTVHUUDJKNT-ZIAGYGMSSA-N 0 0 346.402 3.271 20 10 EGCDRN C[C@@H](NC(=O)Nc1cccc(N2CCOCC2)c1)c1ccccc1O ZINC000878384319 1299961770 /nfs/dbraw/zinc/96/17/70/1299961770.db2.gz BPCNTFCGCMTXEG-CQSZACIVSA-N 0 0 341.411 3.112 20 10 EGCDRN Cc1cncc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000753549424 1299970484 /nfs/dbraw/zinc/97/04/84/1299970484.db2.gz OHZOXDOJLGXZMO-OKILXGFUSA-N 0 0 330.407 3.150 20 10 EGCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1F ZINC000753858071 1300031085 /nfs/dbraw/zinc/03/10/85/1300031085.db2.gz SCIYLIODXSHJMR-CABCVRRESA-N 0 0 349.450 3.245 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000753932336 1300043590 /nfs/dbraw/zinc/04/35/90/1300043590.db2.gz CSMXTGDJSYUVPD-UHFFFAOYSA-N 0 0 325.290 3.470 20 10 EGCDRN COc1ccc(N2CCN(C(=O)CCO[C@H](C)CC(C)C)CC2)cc1 ZINC000755041219 1300272582 /nfs/dbraw/zinc/27/25/82/1300272582.db2.gz OVZCYXODKWAGDS-QGZVFWFLSA-N 0 0 348.487 3.185 20 10 EGCDRN C[C@@H](NC(=O)Nc1nnc(CC(F)(F)F)s1)c1ccccc1O ZINC000878963103 1300291861 /nfs/dbraw/zinc/29/18/61/1300291861.db2.gz WNNFUSJXTURFGN-SSDOTTSWSA-N 0 0 346.334 3.231 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCSCC(C)C)c1 ZINC000756110344 1300441116 /nfs/dbraw/zinc/44/11/16/1300441116.db2.gz AAWACRPCTNWTTB-GFCCVEGCSA-N 0 0 326.462 3.150 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756345140 1300471610 /nfs/dbraw/zinc/47/16/10/1300471610.db2.gz VWVXYSLIQGWCEP-CZUORRHYSA-N 0 0 334.410 3.494 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccccc2OC)c1 ZINC000756351701 1300474355 /nfs/dbraw/zinc/47/43/55/1300474355.db2.gz NAIUZXTXBQLKIZ-CYBMUJFWSA-N 0 0 329.396 3.081 20 10 EGCDRN COc1ccc([C@H](CCC(=O)[O-])[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000756389183 1300481473 /nfs/dbraw/zinc/48/14/73/1300481473.db2.gz QHSOTQPTNHVFMR-SFHVURJKSA-N 0 0 341.407 3.326 20 10 EGCDRN C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Br)cc(F)c1[O-] ZINC000756433912 1300489292 /nfs/dbraw/zinc/48/92/92/1300489292.db2.gz RDPWXHZOWPLJJC-LKFCYVNXSA-N 0 0 345.256 3.285 20 10 EGCDRN C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756434715 1300490505 /nfs/dbraw/zinc/49/05/05/1300490505.db2.gz YKIADQOYRHJFQC-SJCJKPOMSA-N 0 0 347.390 3.393 20 10 EGCDRN C[C@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756448214 1300493432 /nfs/dbraw/zinc/49/34/32/1300493432.db2.gz AKDNDBFOTRGMMC-QMMMGPOBSA-N 0 0 344.640 3.392 20 10 EGCDRN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756460501 1300497020 /nfs/dbraw/zinc/49/70/20/1300497020.db2.gz PZHLDMJXYIQQMY-ZBFHGGJFSA-N 0 0 333.403 3.239 20 10 EGCDRN C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000756481307 1300502587 /nfs/dbraw/zinc/50/25/87/1300502587.db2.gz WRNMDSJIRYXUPH-NSHDSACASA-N 0 0 336.794 3.265 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCOc2ccc(F)cc2)c1 ZINC000756497452 1300507090 /nfs/dbraw/zinc/50/70/90/1300507090.db2.gz UNMPXXQEESLOFP-CYBMUJFWSA-N 0 0 347.386 3.438 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756512156 1300511389 /nfs/dbraw/zinc/51/13/89/1300511389.db2.gz WREQIXPOZCKTEG-MWLCHTKSSA-N 0 0 334.243 3.137 20 10 EGCDRN COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C2 ZINC000756538618 1300517369 /nfs/dbraw/zinc/51/73/69/1300517369.db2.gz CXHIXWQSELOWQP-GWCFXTLKSA-N 0 0 335.350 3.333 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)Cc1nccc(C)n1 ZINC000756542750 1300517731 /nfs/dbraw/zinc/51/77/31/1300517731.db2.gz JXFGPKRBRZPIFA-UHFFFAOYSA-N 0 0 336.233 3.275 20 10 EGCDRN CCCOc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756556961 1300521243 /nfs/dbraw/zinc/52/12/43/1300521243.db2.gz YLIKRXNOHKPHLR-LBPRGKRZSA-N 0 0 331.372 3.335 20 10 EGCDRN C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Br)cc(F)c1[O-] ZINC000756568462 1300522553 /nfs/dbraw/zinc/52/25/53/1300522553.db2.gz FPOYZGUPPBOTLK-RMLUDKJBSA-N 0 0 332.213 3.105 20 10 EGCDRN C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)cc(F)c1[O-] ZINC000756584903 1300527021 /nfs/dbraw/zinc/52/70/21/1300527021.db2.gz HOTYWHUKPQSPKL-RISCZKNCSA-N 0 0 346.377 3.406 20 10 EGCDRN C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])c1cnn(C)c1 ZINC000756604163 1300530899 /nfs/dbraw/zinc/53/08/99/1300530899.db2.gz DODPCECXFAVTCH-RKDXNWHRSA-N 0 0 342.212 3.439 20 10 EGCDRN C[C@H](CCO)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756619374 1300533266 /nfs/dbraw/zinc/53/32/66/1300533266.db2.gz WPUBOAXRJHFEGM-BDAKNGLRSA-N 0 0 336.657 3.477 20 10 EGCDRN COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756637005 1300538755 /nfs/dbraw/zinc/53/87/55/1300538755.db2.gz KWQFFJSHXBXKQK-HIFRSBDPSA-N 0 0 330.384 3.209 20 10 EGCDRN CC(C)OC(=O)Cc1nc(CN(C)c2ccc3c(c2)OCO3)cs1 ZINC000756653133 1300541220 /nfs/dbraw/zinc/54/12/20/1300541220.db2.gz AWFMZKFRECHEPB-UHFFFAOYSA-N 0 0 348.424 3.002 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1 ZINC000756709361 1300550123 /nfs/dbraw/zinc/55/01/23/1300550123.db2.gz XVAKPOLXUDKSMK-ORAYPTAESA-N 0 0 341.407 3.143 20 10 EGCDRN CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1=O ZINC000756739721 1300558043 /nfs/dbraw/zinc/55/80/43/1300558043.db2.gz XNCMUJGPRZSCIH-UWVGGRQHSA-N 0 0 331.243 3.359 20 10 EGCDRN C[C@@H](NCc1cn(-c2ccccc2)nn1)c1cc(Cl)ccc1O ZINC000756742417 1300558481 /nfs/dbraw/zinc/55/84/81/1300558481.db2.gz MEQIECQFVALHBC-GFCCVEGCSA-N 0 0 328.803 3.477 20 10 EGCDRN C[C@@H]1C[C@H](Nc2cccc(OCC(N)=O)c2)c2c1c(F)ccc2O ZINC000756800765 1300568154 /nfs/dbraw/zinc/56/81/54/1300568154.db2.gz FFZLCPAJJIIYKT-YGRLFVJLSA-N 0 0 330.359 3.056 20 10 EGCDRN CC[C@@H]1CC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)O1 ZINC000757388960 1300668739 /nfs/dbraw/zinc/66/87/39/1300668739.db2.gz QAIHTNVOFONHTO-QAPCUYQASA-N 0 0 329.396 3.472 20 10 EGCDRN CNC(=O)CCOc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1 ZINC000757593349 1300689639 /nfs/dbraw/zinc/68/96/39/1300689639.db2.gz MCINQJGXFWUTJX-LBPRGKRZSA-N 0 0 332.375 3.219 20 10 EGCDRN COc1ccc(N(C)C[C@@H](O)COc2ccc(F)cc2)cc1Cl ZINC000757857135 1300748307 /nfs/dbraw/zinc/74/83/07/1300748307.db2.gz LEIBVBBKYXXELU-CQSZACIVSA-N 0 0 339.794 3.364 20 10 EGCDRN COc1cccc(O)c1CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000757993888 1300768702 /nfs/dbraw/zinc/76/87/02/1300768702.db2.gz GQFJUBRWTVDUOG-KRWDZBQOSA-N 0 0 327.424 3.234 20 10 EGCDRN Cc1cc(C(=O)OC[C@@H]2CC23CCOCC3)c(C)n1-c1ccccn1 ZINC000758027201 1300774155 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342.139 3.363 20 10 EGCDRN O=C(/C=C/c1ccccc1)NCc1cccc(Br)c1O ZINC000765758240 1302319982 /nfs/dbraw/zinc/31/99/82/1302319982.db2.gz UNIJCIGGVAZAMG-MDZDMXLPSA-N 0 0 332.197 3.484 20 10 EGCDRN CC[C@@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1[O-] ZINC000883286995 1302365716 /nfs/dbraw/zinc/36/57/16/1302365716.db2.gz IGXLTUBMSQWWBR-QGZVFWFLSA-N 0 0 343.402 3.302 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000766329545 1302430967 /nfs/dbraw/zinc/43/09/67/1302430967.db2.gz BJQAMRCEHDXDQG-ZLIFDBKOSA-N 0 0 335.444 3.422 20 10 EGCDRN COc1ccc2c(c1)CCCN2Cn1nc(-c2ccccc2)ccc1=O ZINC000766343098 1302434939 /nfs/dbraw/zinc/43/49/39/1302434939.db2.gz ZWXUFAVWWAAJTI-UHFFFAOYSA-N 0 0 347.418 3.329 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@@](C)(O)C2)c(C)n1-c1ccccc1C ZINC000767129501 1302589320 /nfs/dbraw/zinc/58/93/20/1302589320.db2.gz WWFMHMSAXQFXIB-HXUWFJFHSA-N 0 0 326.440 3.390 20 10 EGCDRN Cc1cc(C(=O)O[C@H]2CCCNC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000767304435 1302633421 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EGCDRN CCOc1cccc(CNc2cccc3c2CCN3C(C)=O)c1O ZINC000768945830 1303018642 /nfs/dbraw/zinc/01/86/42/1303018642.db2.gz LCBCMCWMUATRJS-UHFFFAOYSA-N 0 0 326.396 3.312 20 10 EGCDRN COc1cccc(CNC(=O)Nc2cc(C)nc3ccccc32)c1O ZINC000769211138 1303072274 /nfs/dbraw/zinc/07/22/74/1303072274.db2.gz WJBMAOZQPNCUIK-UHFFFAOYSA-N 0 0 337.379 3.001 20 10 EGCDRN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000769416181 1303109668 /nfs/dbraw/zinc/10/96/68/1303109668.db2.gz PXDXLJRAORGMEY-NXEZZACHSA-N 0 0 330.375 3.234 20 10 EGCDRN CCN(CC)c1ccc(CN2CCN(c3ncccc3F)CC2)cc1 ZINC000769497587 1303126392 /nfs/dbraw/zinc/12/63/92/1303126392.db2.gz FXBUYEQSARFOJE-UHFFFAOYSA-N 0 0 342.462 3.389 20 10 EGCDRN C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769499336 1303128377 /nfs/dbraw/zinc/12/83/77/1303128377.db2.gz SCYBJBXQJACBQQ-UHFFFAOYSA-N 0 0 344.795 3.117 20 10 EGCDRN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000769515075 1303132867 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LPOIVMHMWCBYNE-WBVHZDCISA-N 0 0 349.450 3.252 20 10 EGCDRN CCN1C(=O)/C(=C/c2ccnn2-c2ccccc2OC)SC1=S ZINC000797397714 1310184094 /nfs/dbraw/zinc/18/40/94/1310184094.db2.gz GMACBGMSJMUJBR-GXDHUFHOSA-N 0 0 345.449 3.102 20 10 EGCDRN COc1ccc(CNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c(O)c1 ZINC000797647045 1310227120 /nfs/dbraw/zinc/22/71/20/1310227120.db2.gz UJVPTRCBSIOGPE-LBPRGKRZSA-N 0 0 334.338 3.177 20 10 EGCDRN C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179504 1310311363 /nfs/dbraw/zinc/31/13/63/1310311363.db2.gz COKUUJAENOVFJP-GFCCVEGCSA-N 0 0 346.393 3.172 20 10 EGCDRN C[C@H](O)CN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000799133361 1310491849 /nfs/dbraw/zinc/49/18/49/1310491849.db2.gz OKVZBTMUDANNLJ-WHWKNOJMSA-N 0 0 325.408 3.358 20 10 EGCDRN O=[N+]([O-])c1cnc(Sc2nnc3sc4ccccc4n23)s1 ZINC000799928190 1310639579 /nfs/dbraw/zinc/63/95/79/1310639579.db2.gz RQWCWEGRMWYHTC-UHFFFAOYSA-N 0 0 335.395 3.460 20 10 EGCDRN Cc1cc(F)cc2c1CN(C(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000800009010 1310655384 /nfs/dbraw/zinc/65/53/84/1310655384.db2.gz GHDQVINFLGPSLA-UHFFFAOYSA-N 0 0 341.430 3.468 20 10 EGCDRN COc1ccc(N(C)CC2CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000800332762 1310737951 /nfs/dbraw/zinc/73/79/51/1310737951.db2.gz CPAIPRVLFAVSGI-UHFFFAOYSA-N 0 0 336.432 3.007 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(C)c1Cl ZINC000822268718 1320065864 /nfs/dbraw/zinc/06/58/64/1320065864.db2.gz FIKOBZVQURHYEI-UHFFFAOYSA-N 0 0 346.862 3.336 20 10 EGCDRN Oc1cc(Br)ccc1CN1C[C@@H](O)Cc2ccccc21 ZINC000825726715 1320358138 /nfs/dbraw/zinc/35/81/38/1320358138.db2.gz WJWKMJHYCYZJJM-AWEZNQCLSA-N 0 0 334.213 3.078 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C(F)(F)F)n2)c1 ZINC000825737212 1320359481 /nfs/dbraw/zinc/35/94/81/1320359481.db2.gz VVLKLZATRHTQNL-SECBINFHSA-N 0 0 340.301 3.306 20 10 EGCDRN OC[C@H]1CN(Cc2ccc(Br)cc2O)c2ccccc21 ZINC000826013114 1320378255 /nfs/dbraw/zinc/37/82/55/1320378255.db2.gz TXYXIKXMFMELAT-GFCCVEGCSA-N 0 0 334.213 3.251 20 10 EGCDRN CC[C@](C)(CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000838661861 1320799164 /nfs/dbraw/zinc/79/91/64/1320799164.db2.gz SZILSQSGBPXWQX-LJQANCHMSA-N 0 0 333.476 3.242 20 10 EGCDRN C[C@H](OCc1ccc(F)cc1)C(=O)NCc1cc(Cl)ccc1O ZINC000857548763 1328547149 /nfs/dbraw/zinc/54/71/49/1328547149.db2.gz VATOADZHKCQOQG-NSHDSACASA-N 0 0 337.778 3.406 20 10 EGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(C(F)(F)F)cn1 ZINC000857547672 1328547217 /nfs/dbraw/zinc/54/72/17/1328547217.db2.gz PFXSJXRFTWJGRE-UHFFFAOYSA-N 0 0 330.693 3.389 20 10 EGCDRN CCOc1ccccc1NC[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000857627716 1328569000 /nfs/dbraw/zinc/56/90/00/1328569000.db2.gz UBKXFIASEOSFLQ-INIZCTEOSA-N 0 0 329.396 3.140 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)cc1 ZINC000857848916 1328601903 /nfs/dbraw/zinc/60/19/03/1328601903.db2.gz CQDAKPRVJKBXBI-KBXCAEBGSA-N 0 0 340.471 3.238 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCc2cc(C)on2)cc1 ZINC000929538011 1328629785 /nfs/dbraw/zinc/62/97/85/1328629785.db2.gz XDWNADJVYZSPBE-UHFFFAOYSA-N 0 0 329.444 3.420 20 10 EGCDRN CCc1onc(C)c1/C=C1\SC(=S)N(c2cnn(CC)c2)C1=O ZINC000899260515 1316980712 /nfs/dbraw/zinc/98/07/12/1316980712.db2.gz JHBSUJLUXRKDAL-MLPAPPSSSA-N 0 0 348.453 3.168 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000802308512 1316998479 /nfs/dbraw/zinc/99/84/79/1316998479.db2.gz DNNFABGDOBJOKK-LXTVHRRPSA-N 0 0 335.444 3.423 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N=c2nc[nH]n2C(C)(C)C)cc1 ZINC000802664299 1317024988 /nfs/dbraw/zinc/02/49/88/1317024988.db2.gz GMFQBWZLFDSZDK-UHFFFAOYSA-N 0 0 337.427 3.115 20 10 EGCDRN CCc1ccc2occ(C(=O)NCCc3ccc(O)c(O)c3)c2c1 ZINC000802778499 1317039408 /nfs/dbraw/zinc/03/94/08/1317039408.db2.gz CSLBIKNBXSTBEM-UHFFFAOYSA-N 0 0 325.364 3.379 20 10 EGCDRN COc1ccc(CNC(=O)[C@H](C)Cn2ccc3ccccc32)c(O)c1 ZINC000803292405 1317104585 /nfs/dbraw/zinc/10/45/85/1317104585.db2.gz ORLQSHXRXWHBNZ-CQSZACIVSA-N 0 0 338.407 3.308 20 10 EGCDRN COCC1(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CCC1 ZINC000803737390 1317149655 /nfs/dbraw/zinc/14/96/55/1317149655.db2.gz IUMZQCYXXVMINX-UHFFFAOYSA-N 0 0 342.439 3.402 20 10 EGCDRN Cc1ccn(-c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)n1 ZINC000803814425 1317168333 /nfs/dbraw/zinc/16/83/33/1317168333.db2.gz VCUGWXOYOWGDEP-YCRREMRBSA-N 0 0 335.363 3.244 20 10 EGCDRN CC(=O)Nc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858097342 1328682027 /nfs/dbraw/zinc/68/20/27/1328682027.db2.gz JKFUZLDZRHLWLQ-UHFFFAOYSA-N 0 0 333.382 3.279 20 10 EGCDRN CCNC(=O)c1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858098272 1328682236 /nfs/dbraw/zinc/68/22/36/1328682236.db2.gz JKRNYPPKCPXWBV-UHFFFAOYSA-N 0 0 347.409 3.070 20 10 EGCDRN C/C(=C(\F)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000900025141 1317220388 /nfs/dbraw/zinc/22/03/88/1317220388.db2.gz BYZBRYDTFVULAB-NBVRZTHBSA-N 0 0 332.419 3.135 20 10 EGCDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc(N2CC=CC2)cc1 ZINC000804495924 1317251822 /nfs/dbraw/zinc/25/18/22/1317251822.db2.gz JUPLFBDZOSRTQQ-UHFFFAOYSA-N 0 0 340.339 3.491 20 10 EGCDRN Cc1nc(C)c(F)c(NCc2cc(Br)ccc2O)n1 ZINC000804828343 1317288953 /nfs/dbraw/zinc/28/89/53/1317288953.db2.gz NWSGVCURGROBSY-UHFFFAOYSA-N 0 0 326.169 3.313 20 10 EGCDRN C/C(Cl)=C/C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000900442982 1317290392 /nfs/dbraw/zinc/29/03/92/1317290392.db2.gz QWALSTSZPZNGJG-VWILAXROSA-N 0 0 336.863 3.403 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)OC[C@H]3CCCO3)cc2)CC1 ZINC000804991631 1317307467 /nfs/dbraw/zinc/30/74/67/1317307467.db2.gz VTCOKXYUTPIZRM-GOSISDBHSA-N 0 0 332.444 3.328 20 10 EGCDRN C[C@H]1CSC[C@@H]1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805091334 1317315733 /nfs/dbraw/zinc/31/57/33/1317315733.db2.gz HJNMDDRLGINLPJ-YJBOKZPZSA-N 0 0 347.528 3.474 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCc2cccc(C)n2)c1 ZINC000805760121 1317417900 /nfs/dbraw/zinc/41/79/00/1317417900.db2.gz CVHZDNLOSGINOR-AWEZNQCLSA-N 0 0 343.427 3.097 20 10 EGCDRN CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806137025 1317464514 /nfs/dbraw/zinc/46/45/14/1317464514.db2.gz GDTXFYKIFOZJGU-DOMZBBRYSA-N 0 0 347.286 3.460 20 10 EGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000901701588 1317464851 /nfs/dbraw/zinc/46/48/51/1317464851.db2.gz UEPOMLOMCFAGAV-MRXNPFEDSA-N 0 0 344.377 3.458 20 10 EGCDRN CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806153296 1317467455 /nfs/dbraw/zinc/46/74/55/1317467455.db2.gz MODGHNYBBYTMPR-QGZVFWFLSA-N 0 0 346.858 3.445 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCC(C)(C)CC1 ZINC000806630504 1317514647 /nfs/dbraw/zinc/51/46/47/1317514647.db2.gz DTWLAKKFFBXXHH-UHFFFAOYSA-N 0 0 346.471 3.216 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)N(CC(C)(C)C)OC)CC2)cc1 ZINC000806683493 1317519306 /nfs/dbraw/zinc/51/93/06/1317519306.db2.gz KWLXSXFOVRIRGZ-UHFFFAOYSA-N 0 0 349.475 3.283 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCCOC3)cc2)CC1 ZINC000806766158 1317522907 /nfs/dbraw/zinc/52/29/07/1317522907.db2.gz NRMYJEVZXBOFGK-IBGZPJMESA-N 0 0 345.487 3.243 20 10 EGCDRN CCn1cccc(NCc2cc(OC)cc(C(C)(C)C)c2O)c1=O ZINC000902119792 1317525605 /nfs/dbraw/zinc/52/56/05/1317525605.db2.gz PGQNBGIOTRDFQJ-UHFFFAOYSA-N 0 0 330.428 3.492 20 10 EGCDRN C[C@H](NC(=O)N1CCCC[C@H]1c1cc[nH]n1)c1ccc(N(C)C)cc1 ZINC000807140779 1317553235 /nfs/dbraw/zinc/55/32/35/1317553235.db2.gz OAKUBRSWZRJUNQ-KSSFIOAISA-N 0 0 341.459 3.474 20 10 EGCDRN C[C@@H](NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000807277289 1317561968 /nfs/dbraw/zinc/56/19/68/1317561968.db2.gz USXJIJFPHDFGPX-LSDHHAIUSA-N 0 0 347.503 3.261 20 10 EGCDRN CN(C)c1cc(F)c(CN[C@@H](CO)c2ccc(F)cc2F)cc1F ZINC000858195140 1328708683 /nfs/dbraw/zinc/70/86/83/1328708683.db2.gz PUNPMZYMHSTBED-INIZCTEOSA-N 0 0 342.336 3.132 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(C)c(OC)c1 ZINC000808094251 1317622620 /nfs/dbraw/zinc/62/26/20/1317622620.db2.gz HNCULWLPJTYGCE-UHFFFAOYSA-N 0 0 334.412 3.054 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CSc2ccccc21 ZINC000808097149 1317622883 /nfs/dbraw/zinc/62/28/83/1317622883.db2.gz RUDKKGVQTBOWES-ZDUSSCGKSA-N 0 0 334.437 3.384 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc2ccc(F)cc2c1 ZINC000808094978 1317623020 /nfs/dbraw/zinc/62/30/20/1317623020.db2.gz MNGUZOWKGXNVDS-UHFFFAOYSA-N 0 0 345.370 3.495 20 10 EGCDRN COc1ccc(N(C)Cc2nc(COC(C)C)no2)cc1Cl ZINC000929829079 1328712953 /nfs/dbraw/zinc/71/29/53/1328712953.db2.gz OODCPYMLEYWDOS-UHFFFAOYSA-N 0 0 325.796 3.293 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2c3ccccc3O[C@H]2C)c1 ZINC000808357149 1317666004 /nfs/dbraw/zinc/66/60/04/1317666004.db2.gz YGFKDIHRNPNPSH-PZROIBLQSA-N 0 0 342.395 3.283 20 10 EGCDRN COc1cncc(COC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000808496543 1317687460 /nfs/dbraw/zinc/68/74/60/1317687460.db2.gz UVIXGGMFERBACE-UHFFFAOYSA-N 0 0 343.408 3.256 20 10 EGCDRN CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])C1=O ZINC000903392101 1317694944 /nfs/dbraw/zinc/69/49/44/1317694944.db2.gz MIOUOIDXXLYNCM-SKDRFNHKSA-N 0 0 331.243 3.361 20 10 EGCDRN O=C(c1ccc(F)cc1)c1ccc(Cl)cc1NCC1(CO)COC1 ZINC000809195547 1317782574 /nfs/dbraw/zinc/78/25/74/1317782574.db2.gz UAGDWWIWWBHRNV-UHFFFAOYSA-N 0 0 349.789 3.131 20 10 EGCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(C)ccc2O)C12CCCC2 ZINC000858261219 1328725072 /nfs/dbraw/zinc/72/50/72/1328725072.db2.gz QHEFMIUHKUNVSB-IAGOWNOFSA-N 0 0 332.444 3.238 20 10 EGCDRN C[C@@H](CO)[N@@H+](Cc1cc(Br)ccc1O)CC1CCC1 ZINC000809665451 1317860197 /nfs/dbraw/zinc/86/01/97/1317860197.db2.gz UEMLHGPCUAEWAW-NSHDSACASA-N 0 0 328.250 3.138 20 10 EGCDRN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc(Br)c1[O-] ZINC000809703358 1317869247 /nfs/dbraw/zinc/86/92/47/1317869247.db2.gz JJNGGTZFGUETAX-TZMCWYRMSA-N 0 0 339.277 3.213 20 10 EGCDRN CN(C)c1ccc(CNC(=O)C[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000809931264 1317919097 /nfs/dbraw/zinc/91/90/97/1317919097.db2.gz CCVJJMRWDABHEA-IBGZPJMESA-N 0 0 343.496 3.171 20 10 EGCDRN COC(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccccc2O)c1 ZINC000810156905 1317964575 /nfs/dbraw/zinc/96/45/75/1317964575.db2.gz ZDVXWGNXIWZABX-UHFFFAOYSA-N 0 0 333.771 3.104 20 10 EGCDRN C[C@H](NC(=O)C1(F)CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000810206912 1317975917 /nfs/dbraw/zinc/97/59/17/1317975917.db2.gz AIRFSCVLGGLDFT-HNNXBMFYSA-N 0 0 334.435 3.373 20 10 EGCDRN CC[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810238027 1317983700 /nfs/dbraw/zinc/98/37/00/1317983700.db2.gz HIAPELIVOZJBIE-JOYOIKCWSA-N 0 0 328.338 3.341 20 10 EGCDRN CCOCCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Cl)cc1 ZINC000905946445 1318021362 /nfs/dbraw/zinc/02/13/62/1318021362.db2.gz CIBUUXQSHOXEFG-TWGQIWQCSA-N 0 0 333.819 3.156 20 10 EGCDRN COc1cccnc1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000858353542 1328743200 /nfs/dbraw/zinc/74/32/00/1328743200.db2.gz BTZXUGGBWULBQV-OKILXGFUSA-N 0 0 345.418 3.455 20 10 EGCDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858343356 1328741325 /nfs/dbraw/zinc/74/13/25/1328741325.db2.gz YTKMZTSRWBWLNQ-ACJLOTCBSA-N 0 0 346.402 3.415 20 10 EGCDRN Cc1cc(C(=O)OCCc2cncs2)c(C)n1-c1ccccn1 ZINC000811123262 1318111308 /nfs/dbraw/zinc/11/13/08/1318111308.db2.gz NLIHBBMBRUFQTG-UHFFFAOYSA-N 0 0 327.409 3.345 20 10 EGCDRN C[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cnccn1 ZINC000906618595 1318126774 /nfs/dbraw/zinc/12/67/74/1318126774.db2.gz XZNLSECYYHODOR-INIZCTEOSA-N 0 0 338.455 3.133 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)Nc2ccccc2)c1 ZINC000907060204 1318179031 /nfs/dbraw/zinc/17/90/31/1318179031.db2.gz MIBKIUWEUXQMPI-ZDUSSCGKSA-N 0 0 328.412 3.469 20 10 EGCDRN COc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512542 1318190533 /nfs/dbraw/zinc/19/05/33/1318190533.db2.gz NZGZGERLPAOFGD-HXUWFJFHSA-N 0 0 325.408 3.371 20 10 EGCDRN CCc1onc(C)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929972778 1328753623 /nfs/dbraw/zinc/75/36/23/1328753623.db2.gz VGYQLCHCZSPQEG-INIZCTEOSA-N 0 0 330.428 3.432 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(CO)cc1OC ZINC000908045617 1318295256 /nfs/dbraw/zinc/29/52/56/1318295256.db2.gz RFSDYHRONIBEPZ-UHFFFAOYSA-N 0 0 343.423 3.336 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(F)(F)[C@H](C)C1 ZINC000812048308 1318315334 /nfs/dbraw/zinc/31/53/34/1318315334.db2.gz RFFRWNLRISHIQV-CYBMUJFWSA-N 0 0 325.403 3.248 20 10 EGCDRN CC1(C)CN(C(=O)NCCCSc2nccs2)[C@H]1C1CC1 ZINC000812153731 1318335697 /nfs/dbraw/zinc/33/56/97/1318335697.db2.gz JGIUEDVUMUIVOQ-LBPRGKRZSA-N 0 0 325.503 3.455 20 10 EGCDRN CCC[C@@H]1C[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000812477680 1318399102 /nfs/dbraw/zinc/39/91/02/1318399102.db2.gz XCCVPQVOUMUAMP-MUIFIZLQSA-N 0 0 348.462 3.492 20 10 EGCDRN Cc1cc(C(=O)NOCCOC(C)C)c(C)n1-c1ccc(F)cc1 ZINC000812807479 1318460981 /nfs/dbraw/zinc/46/09/81/1318460981.db2.gz REQRNTONVCRNQC-UHFFFAOYSA-N 0 0 334.391 3.320 20 10 EGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)c(Br)c1 ZINC000813309894 1318531776 /nfs/dbraw/zinc/53/17/76/1318531776.db2.gz HFNWBVWOBZNAPB-ALCCZGGFSA-N 0 0 334.217 3.167 20 10 EGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCCCC(=O)C1 ZINC000813491463 1318578393 /nfs/dbraw/zinc/57/83/93/1318578393.db2.gz YCWHMPHALPOKBA-OAHLLOKOSA-N 0 0 329.440 3.427 20 10 EGCDRN CC[C@H](C)CONC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000813583760 1318595775 /nfs/dbraw/zinc/59/57/75/1318595775.db2.gz AZEZDTYMQSWGLH-AWEZNQCLSA-N 0 0 337.489 3.017 20 10 EGCDRN C[NH+]1CCC(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000813684576 1318619227 /nfs/dbraw/zinc/61/92/27/1318619227.db2.gz KQQZDCWMFUTTNO-UHFFFAOYSA-N 0 0 331.243 3.047 20 10 EGCDRN C[C@H](NC(=O)N1CCOC[C@@H](C2CCC2)C1)c1ccc(N(C)C)cc1 ZINC000813720213 1318623532 /nfs/dbraw/zinc/62/35/32/1318623532.db2.gz SOFLGDBJXMOSPB-YJBOKZPZSA-N 0 0 345.487 3.272 20 10 EGCDRN CC(C)(C)O[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910949159 1318698347 /nfs/dbraw/zinc/69/83/47/1318698347.db2.gz GKPSELKHMPRARP-QGZVFWFLSA-N 0 0 329.396 3.270 20 10 EGCDRN O=C(NCc1ccc(O)cc1O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000910954155 1318699409 /nfs/dbraw/zinc/69/94/09/1318699409.db2.gz IIMJIVOOJFEHGS-IBGZPJMESA-N 0 0 341.407 3.415 20 10 EGCDRN NC(=O)Nc1cc(NCc2c(O)ccc(Cl)c2F)ccc1F ZINC000814299637 1318719627 /nfs/dbraw/zinc/71/96/27/1318719627.db2.gz AUSWSHCRDQKFES-UHFFFAOYSA-N 0 0 327.718 3.427 20 10 EGCDRN CCOC(=O)c1csc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000814631682 1318789465 /nfs/dbraw/zinc/78/94/65/1318789465.db2.gz KDSYYUXGJMYYDJ-GFCCVEGCSA-N 0 0 333.457 3.237 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3ccn(C(C)C)c3C)CC2)cc1 ZINC000814720286 1318804477 /nfs/dbraw/zinc/80/44/77/1318804477.db2.gz KEIAEFBYEKKQCV-UHFFFAOYSA-N 0 0 341.455 3.348 20 10 EGCDRN CC(=O)CCCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912107918 1318815848 /nfs/dbraw/zinc/81/58/48/1318815848.db2.gz YBOGTTDRKJGDGF-UHFFFAOYSA-N 0 0 344.377 3.403 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)C(C)(F)F)CC2)cc1 ZINC000815073106 1318883565 /nfs/dbraw/zinc/88/35/65/1318883565.db2.gz FXOXUOGKBKBFBE-ZDUSSCGKSA-N 0 0 326.387 3.025 20 10 EGCDRN CC[C@@H](C)Oc1cc(Sc2ncc(C(=O)OC)s2)nc(C)n1 ZINC000858557374 1328794736 /nfs/dbraw/zinc/79/47/36/1328794736.db2.gz NEJKNLQHZALOLD-MRVPVSSYSA-N 0 0 339.442 3.357 20 10 EGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000815150055 1318913514 /nfs/dbraw/zinc/91/35/14/1318913514.db2.gz LRVSBQRZEBHQII-CQSZACIVSA-N 0 0 342.277 3.433 20 10 EGCDRN CC(=O)Nc1cccc(NC(=S)NCc2ccc(N(C)C)cc2)c1 ZINC000913146543 1318976836 /nfs/dbraw/zinc/97/68/36/1318976836.db2.gz BJSQKWZPTCJUOO-UHFFFAOYSA-N 0 0 342.468 3.198 20 10 EGCDRN C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557315 1319014444 /nfs/dbraw/zinc/01/44/44/1319014444.db2.gz QQUPZQVIYNXAEL-HZMBPMFUSA-N 0 0 338.329 3.288 20 10 EGCDRN COC(=O)N1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815565577 1319016337 /nfs/dbraw/zinc/01/63/37/1319016337.db2.gz SZTGKJRZKDYASK-SNVBAGLBSA-N 0 0 346.349 3.292 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815570985 1319017195 /nfs/dbraw/zinc/01/71/95/1319017195.db2.gz QOCHHSIPQVFVOE-WDEREUQCSA-N 0 0 325.334 3.483 20 10 EGCDRN C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000815577165 1319019961 /nfs/dbraw/zinc/01/99/61/1319019961.db2.gz IHWRGWFYLRNMKW-GFCCVEGCSA-N 0 0 344.377 3.464 20 10 EGCDRN C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CN1CCOCC1 ZINC000815582393 1319021141 /nfs/dbraw/zinc/02/11/41/1319021141.db2.gz FGUGSOVUOCRKRY-STQMWFEESA-N 0 0 346.393 3.030 20 10 EGCDRN C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815599432 1319023701 /nfs/dbraw/zinc/02/37/01/1319023701.db2.gz SYDXLMLNFNNYHH-HTQZYQBOSA-N 0 0 331.256 3.375 20 10 EGCDRN C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815616344 1319028470 /nfs/dbraw/zinc/02/84/70/1319028470.db2.gz MAYJTRIDHWUBFZ-XHDPSFHLSA-N 0 0 347.377 3.239 20 10 EGCDRN C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000815616605 1319029523 /nfs/dbraw/zinc/02/95/23/1319029523.db2.gz SQQUHJMTCRSYIX-JTQLQIEISA-N 0 0 340.349 3.190 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(C)nn(C(C)C)c2C)c1 ZINC000815835235 1319061750 /nfs/dbraw/zinc/06/17/50/1319061750.db2.gz NVYHWJQUVQUASG-GFCCVEGCSA-N 0 0 345.443 3.215 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2c(F)cccc2c1 ZINC000816029168 1319089374 /nfs/dbraw/zinc/08/93/74/1319089374.db2.gz WYAHVQBSNYIEAB-LLVKDONJSA-N 0 0 340.354 3.146 20 10 EGCDRN CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816482364 1319162819 /nfs/dbraw/zinc/16/28/19/1319162819.db2.gz CUSWQNSHBOOIEG-UHFFFAOYSA-N 0 0 336.794 3.176 20 10 EGCDRN CCOC(=O)CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CC1 ZINC000816496978 1319166110 /nfs/dbraw/zinc/16/61/10/1319166110.db2.gz HMRFQFLDZSVJDA-UHFFFAOYSA-N 0 0 329.799 3.350 20 10 EGCDRN CN(C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])Cc1ccccc1 ZINC000816529873 1319175891 /nfs/dbraw/zinc/17/58/91/1319175891.db2.gz KSDFHSCFHLRCBB-OAHLLOKOSA-N 0 0 336.838 3.447 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc(CCO)cs2)cc1 ZINC000816706525 1319208434 /nfs/dbraw/zinc/20/84/34/1319208434.db2.gz XWPSQRWWFIGRHC-UHFFFAOYSA-N 0 0 341.436 3.338 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000816914097 1319245789 /nfs/dbraw/zinc/24/57/89/1319245789.db2.gz DJRBDNNKVMEHQY-BBRMVZONSA-N 0 0 327.428 3.220 20 10 EGCDRN COCC1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCOCC1 ZINC000817227274 1319297932 /nfs/dbraw/zinc/29/79/32/1319297932.db2.gz YPTQLHYCDIVPFY-UHFFFAOYSA-N 0 0 342.439 3.020 20 10 EGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCCCS(C)(=O)=O ZINC000817299378 1319320365 /nfs/dbraw/zinc/32/03/65/1319320365.db2.gz ZACHQJMOVZWVNF-MRXNPFEDSA-N 0 0 339.501 3.155 20 10 EGCDRN CCc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1C ZINC000817342907 1319331795 /nfs/dbraw/zinc/33/17/95/1319331795.db2.gz PDRCAORCIXQNKD-UHFFFAOYSA-N 0 0 343.475 3.491 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N(C)C2CC(OC(C)(C)C)C2)cc1 ZINC000817389361 1319347486 /nfs/dbraw/zinc/34/74/86/1319347486.db2.gz NXEJJCCJRNNEQO-UHFFFAOYSA-N 0 0 333.476 3.240 20 10 EGCDRN COc1c([O-])c(C[N@H+](C)C2CC(OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000817415989 1319355605 /nfs/dbraw/zinc/35/56/05/1319355605.db2.gz FXZMXWQGFSINLA-UHFFFAOYSA-N 0 0 338.404 3.087 20 10 EGCDRN Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000914880273 1319392948 /nfs/dbraw/zinc/39/29/48/1319392948.db2.gz ROQMNRIKTWIBBZ-KBPBESRZSA-N 0 0 330.403 3.483 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)C[C@H](CO)C2)cc1 ZINC000817628388 1319417206 /nfs/dbraw/zinc/41/72/06/1319417206.db2.gz SQTGWSQQBVSJAQ-PBHICJAKSA-N 0 0 326.440 3.185 20 10 EGCDRN COC(=O)c1cnc2[nH]c(-c3ccc(N4CCCCC4)cc3)nc2c1 ZINC000817706322 1319426884 /nfs/dbraw/zinc/42/68/84/1319426884.db2.gz AYMOEYZCSYBAOD-UHFFFAOYSA-N 0 0 336.395 3.402 20 10 EGCDRN COC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000915196815 1319441077 /nfs/dbraw/zinc/44/10/77/1319441077.db2.gz GGGRIEJXMZLUBL-UHFFFAOYSA-N 0 0 328.412 3.084 20 10 EGCDRN C[C@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccc(F)cc1[O-] ZINC000818353879 1319533678 /nfs/dbraw/zinc/53/36/78/1319533678.db2.gz ZXIHTDHKMZTYRG-HNNXBMFYSA-N 0 0 344.430 3.321 20 10 EGCDRN COc1ccccc1N1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000915789557 1319535316 /nfs/dbraw/zinc/53/53/16/1319535316.db2.gz RUBVSLOHZQCJNT-UHFFFAOYSA-N 0 0 342.439 3.040 20 10 EGCDRN COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(C)c(C)cc1O ZINC000915799325 1319535885 /nfs/dbraw/zinc/53/58/85/1319535885.db2.gz DSFBCDPOZMWVNF-SFHVURJKSA-N 0 0 325.408 3.109 20 10 EGCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCc1ccc(N)cc1 ZINC000818546066 1319557202 /nfs/dbraw/zinc/55/72/02/1319557202.db2.gz FXHKBRWKNZWGHK-AYOQOUSVSA-N 0 0 332.488 3.405 20 10 EGCDRN CCCc1ccc(N2C[C@H](C(=O)Nc3ccc(N)cc3)CC2=O)cc1 ZINC000818556054 1319559842 /nfs/dbraw/zinc/55/98/42/1319559842.db2.gz MXPQHDYZXGZFTL-OAHLLOKOSA-N 0 0 337.423 3.213 20 10 EGCDRN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000819168805 1319655126 /nfs/dbraw/zinc/65/51/26/1319655126.db2.gz TXCIBCLKIIYOLL-OFQRWUPVSA-N 0 0 328.412 3.125 20 10 EGCDRN Cc1cccc2c1CC[C@@H]2N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168507 1319655367 /nfs/dbraw/zinc/65/53/67/1319655367.db2.gz SQPUJTHJMJDBLD-KRWDZBQOSA-N 0 0 336.391 3.152 20 10 EGCDRN Cc1cc(C)cc(CCN2C(=O)CN(Cc3ccccc3O)C2=O)c1 ZINC000819168335 1319655467 /nfs/dbraw/zinc/65/54/67/1319655467.db2.gz NZKWWDRDGZTNSE-UHFFFAOYSA-N 0 0 338.407 3.016 20 10 EGCDRN O=C(CCSc1ccccc1)OCC(=O)c1ccc(O)c(O)c1 ZINC000916590809 1319680228 /nfs/dbraw/zinc/68/02/28/1319680228.db2.gz QYKGJNBXIRWEGR-UHFFFAOYSA-N 0 0 332.377 3.006 20 10 EGCDRN C[C@H]1CCc2sc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2C1 ZINC000916607042 1319682529 /nfs/dbraw/zinc/68/25/29/1319682529.db2.gz OCASJKTWMWTQFG-JTQLQIEISA-N 0 0 346.404 3.324 20 10 EGCDRN COc1ccccc1NC[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000819394016 1319717114 /nfs/dbraw/zinc/71/71/14/1319717114.db2.gz NTXKNLGBIMZNAU-OAHLLOKOSA-N 0 0 325.412 3.135 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3ccc(C)cc3)C2)cc1 ZINC000819580143 1319756572 /nfs/dbraw/zinc/75/65/72/1319756572.db2.gz GCTHVTKTVWRUGK-GOSISDBHSA-N 0 0 338.451 3.189 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3CC[C@@H](C)C3)C2)cc1 ZINC000819584423 1319757015 /nfs/dbraw/zinc/75/70/15/1319757015.db2.gz 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349.818 3.319 20 10 EGCDRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000125884283 454853236 /nfs/dbraw/zinc/85/32/36/454853236.db2.gz CAWFKKVDPWXGOD-HNNXBMFYSA-N 0 0 346.496 3.349 20 10 EGCDRN COc1ccc(N(CC(=O)N2CCCC2)Cc2cccs2)cc1 ZINC000125930713 454856998 /nfs/dbraw/zinc/85/69/98/454856998.db2.gz QDTSSKBXCKTGGH-UHFFFAOYSA-N 0 0 330.453 3.386 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1nnc(C(C)C)o1 ZINC000177403953 454860903 /nfs/dbraw/zinc/86/09/03/454860903.db2.gz COTOERGLRCIQNL-UHFFFAOYSA-N 0 0 331.416 3.270 20 10 EGCDRN C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184917386 455471849 /nfs/dbraw/zinc/47/18/49/455471849.db2.gz GNKWTJIPURBZJV-VIFPVBQESA-N 0 0 343.210 3.373 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)C[C@H]2C)cc1F ZINC000154315123 454884921 /nfs/dbraw/zinc/88/49/21/454884921.db2.gz IDRWZSBXNQVVQO-CJNGLKHVSA-N 0 0 334.435 3.293 20 10 EGCDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(O)c1 ZINC000112447974 454887208 /nfs/dbraw/zinc/88/72/08/454887208.db2.gz YCUOVCJVSMTUDU-AWEZNQCLSA-N 0 0 339.439 3.335 20 10 EGCDRN Nc1ccc(CC(=O)Nc2ccc(N3CCSCC3)cc2)cc1 ZINC000169059797 454929609 /nfs/dbraw/zinc/92/96/09/454929609.db2.gz QUSNUXLAHZYJBU-UHFFFAOYSA-N 0 0 327.453 3.003 20 10 EGCDRN O=C(COc1ccc(N2CCCC2)cc1)NCc1ccccc1F ZINC000178195908 454942820 /nfs/dbraw/zinc/94/28/20/454942820.db2.gz VAOURLBPIRGIEH-UHFFFAOYSA-N 0 0 328.387 3.121 20 10 EGCDRN O=C(C[C@@H]1CSCCS1)NCc1c(O)ccc2c1CCCC2 ZINC000151380101 454977442 /nfs/dbraw/zinc/97/74/42/454977442.db2.gz GWUKNUAEYLSTFF-CYBMUJFWSA-N 0 0 337.510 3.126 20 10 EGCDRN COc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc(OC)c1OC ZINC000170788968 454978102 /nfs/dbraw/zinc/97/81/02/454978102.db2.gz VQMNQRPBFFIVOX-NSHDSACASA-N 0 0 335.375 3.408 20 10 EGCDRN Cc1nnsc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000170860449 454989694 /nfs/dbraw/zinc/98/96/94/454989694.db2.gz REZBKQYKSZOKLQ-UHFFFAOYSA-N 0 0 330.457 3.109 20 10 EGCDRN COc1cc(O)c(CN2CCO[C@H](c3cccc(F)c3)C2)cc1OC ZINC000179442076 455048441 /nfs/dbraw/zinc/04/84/41/455048441.db2.gz HLGVOHJFPIMWAW-IBGZPJMESA-N 0 0 347.386 3.122 20 10 EGCDRN Cc1cc(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n[nH]1 ZINC000128568442 455068554 /nfs/dbraw/zinc/06/85/54/455068554.db2.gz QYUHKGAKWOIDGS-UHFFFAOYSA-N 0 0 340.471 3.346 20 10 EGCDRN CC(C)Oc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000128741897 455080511 /nfs/dbraw/zinc/08/05/11/455080511.db2.gz TVUHRDWVCGVCKM-UHFFFAOYSA-N 0 0 330.384 3.249 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cccnc2)cc1 ZINC000171738144 455090018 /nfs/dbraw/zinc/09/00/18/455090018.db2.gz DRQWWXSUOQDIKP-UHFFFAOYSA-N 0 0 326.444 3.269 20 10 EGCDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1c(O)ccc2c1CCCC2 ZINC000156319911 455104089 /nfs/dbraw/zinc/10/40/89/455104089.db2.gz BDNOXASRHRCRMH-UHFFFAOYSA-N 0 0 340.379 3.038 20 10 EGCDRN O=C(/C=C/c1cncc(F)c1)NCc1c(O)ccc2c1CCCC2 ZINC000156365251 455109761 /nfs/dbraw/zinc/10/97/61/455109761.db2.gz MTMGODASJABLKQ-VMPITWQZSA-N 0 0 326.371 3.135 20 10 EGCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000156607345 455137404 /nfs/dbraw/zinc/13/74/04/455137404.db2.gz DPKGTOJGYYVOPX-QGZVFWFLSA-N 0 0 327.424 3.271 20 10 EGCDRN Cc1ccc(CCCCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000156622351 455138940 /nfs/dbraw/zinc/13/89/40/455138940.db2.gz KCAAGALPRVVFFP-UHFFFAOYSA-N 0 0 327.424 3.478 20 10 EGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000156699191 455145288 /nfs/dbraw/zinc/14/52/88/455145288.db2.gz MATNGHYMQCANDR-VXGBXAGGSA-N 0 0 331.334 3.125 20 10 EGCDRN O=C(N[C@@H]1CC=CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000172486903 455157131 /nfs/dbraw/zinc/15/71/31/455157131.db2.gz GYBOBOBLEQKOEK-SJORKVTESA-N 0 0 330.428 3.192 20 10 EGCDRN Cc1cc(C(=O)NCC[C@@H]2CCCCO2)c(C)n1-c1ccccn1 ZINC000180406116 455164807 /nfs/dbraw/zinc/16/48/07/455164807.db2.gz CVKSAWKNHIJTDL-INIZCTEOSA-N 0 0 327.428 3.178 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1ccccn1)C1CC1 ZINC000172631242 455166139 /nfs/dbraw/zinc/16/61/39/455166139.db2.gz GOEUUPYUANVJEF-UHFFFAOYSA-N 0 0 348.450 3.332 20 10 EGCDRN CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(OC)ccc1O ZINC000180442066 455170995 /nfs/dbraw/zinc/17/09/95/455170995.db2.gz RDFFYSIZXOCLDC-UHFFFAOYSA-N 0 0 342.439 3.478 20 10 EGCDRN C[C@@H]1CN(c2ccccc2NC(=O)Cc2ccc(N)cc2)C[C@@H](C)O1 ZINC000237437984 455184719 /nfs/dbraw/zinc/18/47/19/455184719.db2.gz RZIGBIUJIZLWIA-HUUCEWRRSA-N 0 0 339.439 3.064 20 10 EGCDRN Cc1cc(OCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1Cl ZINC000183472285 455296927 /nfs/dbraw/zinc/29/69/27/455296927.db2.gz XZLCSXFUYJSRIA-GFCCVEGCSA-N 0 0 349.814 3.186 20 10 EGCDRN CCN(CC)c1ccc(CNc2ccc(C(=O)N(C)C)cn2)cc1F ZINC000264884644 455296991 /nfs/dbraw/zinc/29/69/91/455296991.db2.gz RWRGPMBYZGMWEM-UHFFFAOYSA-N 0 0 344.434 3.381 20 10 EGCDRN CC(C)n1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000264927961 455297234 /nfs/dbraw/zinc/29/72/34/455297234.db2.gz VBMXZHPJJQHDDV-UHFFFAOYSA-N 0 0 326.444 3.335 20 10 EGCDRN Cc1cccc2c(CC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c[nH]c21 ZINC000183479254 455298112 /nfs/dbraw/zinc/29/81/12/455298112.db2.gz ZTTBDJJPGJNESH-ZDUSSCGKSA-N 0 0 338.407 3.177 20 10 EGCDRN CC1(C)C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C(C)(C)O1 ZINC000181197150 455301144 /nfs/dbraw/zinc/30/11/44/455301144.db2.gz PUEIDBLDGNBWHH-KRWDZBQOSA-N 0 0 343.471 3.208 20 10 EGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000174327840 455379601 /nfs/dbraw/zinc/37/96/01/455379601.db2.gz WADJINGUFVKXFR-YGQKLEOUSA-N 0 0 340.467 3.328 20 10 EGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nc(-c2ccsc2)no1 ZINC000175029876 455420837 /nfs/dbraw/zinc/42/08/37/455420837.db2.gz MAJNKWUTEAFPQF-UHFFFAOYSA-N 0 0 342.424 3.263 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CC(F)(F)F ZINC000266511892 455430022 /nfs/dbraw/zinc/43/00/22/455430022.db2.gz HZYWFQMLOIZQGB-UHFFFAOYSA-N 0 0 340.139 3.456 20 10 EGCDRN C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(F)cc1[O-] ZINC000184894156 455468385 /nfs/dbraw/zinc/46/83/85/455468385.db2.gz ZTQDRCLJFQUGEU-HNNXBMFYSA-N 0 0 344.430 3.214 20 10 EGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000191365297 455480766 /nfs/dbraw/zinc/48/07/66/455480766.db2.gz VPPKSDKIGLXJQX-ZUZCIYMTSA-N 0 0 331.840 3.329 20 10 EGCDRN CC(C)Oc1ccc(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000191579331 455499558 /nfs/dbraw/zinc/49/95/58/455499558.db2.gz BGRVSLMPYPVXQG-UHFFFAOYSA-N 0 0 343.383 3.117 20 10 EGCDRN CCn1cc([C@H]2CN(Cc3cc(Cl)cc(C)c3O)CCO2)cn1 ZINC000191695650 455510392 /nfs/dbraw/zinc/51/03/92/455510392.db2.gz WYHHADXIAVOIQV-MRXNPFEDSA-N 0 0 335.835 3.144 20 10 EGCDRN C[C@H](O)[C@@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])Cc1ccccc1 ZINC000191712883 455512367 /nfs/dbraw/zinc/51/23/67/455512367.db2.gz FGVRNAPZYNOTRC-IFXJQAMLSA-N 0 0 344.411 3.020 20 10 EGCDRN Cc1ccc(-c2cncc(C(=O)NCc3ccc(O)c(O)c3)c2)cc1 ZINC000182543796 455537686 /nfs/dbraw/zinc/53/76/86/455537686.db2.gz IKFFVXBBNMDFAM-UHFFFAOYSA-N 0 0 334.375 3.398 20 10 EGCDRN CC[C@@H](C)n1ncc(C(=O)NCc2ccc(O)c(O)c2)c1C1CC1 ZINC000182548546 455538618 /nfs/dbraw/zinc/53/86/18/455538618.db2.gz UIMRIAOPEZJWMQ-LLVKDONJSA-N 0 0 329.400 3.073 20 10 EGCDRN CC(C)Oc1ccc(N(C)Cc2cnc(N3CCOCC3)s2)cc1 ZINC000192036906 455546779 /nfs/dbraw/zinc/54/67/79/455546779.db2.gz PYGGLZUBSNDSCZ-UHFFFAOYSA-N 0 0 347.484 3.403 20 10 EGCDRN CN(C)c1ccc(CNC(=O)c2cc(COC(C)(C)C)on2)cc1F ZINC000185460507 455561194 /nfs/dbraw/zinc/56/11/94/455561194.db2.gz DBFQIEICFAEPKX-UHFFFAOYSA-N 0 0 349.406 3.125 20 10 EGCDRN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000185788861 455621847 /nfs/dbraw/zinc/62/18/47/455621847.db2.gz HKNOEGYESSSZKD-ZJUUUORDSA-N 0 0 331.243 3.361 20 10 EGCDRN CC(C)[C@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000271447855 455640576 /nfs/dbraw/zinc/64/05/76/455640576.db2.gz DHZVJHFACXSEJU-DNVCBOLYSA-N 0 0 346.471 3.274 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCO[C@H](C)C3)c2C)cc1 ZINC000271476817 455652346 /nfs/dbraw/zinc/65/23/46/455652346.db2.gz VRWUASTYNHPSKB-ZBFHGGJFSA-N 0 0 342.439 3.400 20 10 EGCDRN C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192718933 455677153 /nfs/dbraw/zinc/67/71/53/455677153.db2.gz UQHHCTNLIDUWHS-UWVGGRQHSA-N 0 0 331.243 3.361 20 10 EGCDRN CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000271565375 455685387 /nfs/dbraw/zinc/68/53/87/455685387.db2.gz WMHABOTVCWRHLQ-GTNSWQLSSA-N 0 0 334.347 3.305 20 10 EGCDRN C[C@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000192974457 455728826 /nfs/dbraw/zinc/72/88/26/455728826.db2.gz VOAKQTZZTKNCHN-AWEZNQCLSA-N 0 0 327.428 3.180 20 10 EGCDRN CCC(CC)n1nc(C)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186407524 455762073 /nfs/dbraw/zinc/76/20/73/455762073.db2.gz KWDXUDWCBOLMPA-GFCCVEGCSA-N 0 0 345.443 3.325 20 10 EGCDRN Cc1cnccc1SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000292813668 455762260 /nfs/dbraw/zinc/76/22/60/455762260.db2.gz PEKAXRBFJRQDTB-UHFFFAOYSA-N 0 0 329.469 3.207 20 10 EGCDRN Cc1cc(COC(=O)/C=C/c2ccc(N3CCOCC3)cc2)ns1 ZINC000193538236 455763476 /nfs/dbraw/zinc/76/34/76/455763476.db2.gz YHXYTEBUMAJMIQ-QPJJXVBHSA-N 0 0 344.436 3.045 20 10 EGCDRN Cc1cc(C)cc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000186423686 455764938 /nfs/dbraw/zinc/76/49/38/455764938.db2.gz WPGXQOYSHLHOST-OAHLLOKOSA-N 0 0 327.424 3.395 20 10 EGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000292969479 455768591 /nfs/dbraw/zinc/76/85/91/455768591.db2.gz GJEICLMWZUOJIF-MRXNPFEDSA-N 0 0 325.836 3.135 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000269040242 455772000 /nfs/dbraw/zinc/77/20/00/455772000.db2.gz QCHMBSXFFNLRAS-HNNXBMFYSA-N 0 0 328.416 3.115 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1nc2cccnc2s1 ZINC000193880105 455785342 /nfs/dbraw/zinc/78/53/42/455785342.db2.gz YGMYNJOJQGLPRG-UHFFFAOYSA-N 0 0 338.436 3.222 20 10 EGCDRN C[C@@H](N[C@@H](CCO)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000186528586 455786953 /nfs/dbraw/zinc/78/69/53/455786953.db2.gz GMFOBPKHGFBUJH-PBHICJAKSA-N 0 0 348.418 3.030 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000293467245 455787905 /nfs/dbraw/zinc/78/79/05/455787905.db2.gz TXYFODCFMOZAHG-UHFFFAOYSA-N 0 0 327.380 3.057 20 10 EGCDRN CO[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000294453028 455816044 /nfs/dbraw/zinc/81/60/44/455816044.db2.gz LGFJJRGOWKTCGS-HXUWFJFHSA-N 0 0 338.451 3.161 20 10 EGCDRN Cc1cc(C(=O)N2CCCO[C@@H](C(C)C)C2)c(C)n1-c1ccccn1 ZINC000294435673 455816069 /nfs/dbraw/zinc/81/60/69/455816069.db2.gz NXFJLEIOGSOQHD-GOSISDBHSA-N 0 0 341.455 3.376 20 10 EGCDRN CC(=O)N1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000294553971 455819262 /nfs/dbraw/zinc/81/92/62/455819262.db2.gz LHBFATRYPXYCKD-UHFFFAOYSA-N 0 0 343.496 3.049 20 10 EGCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000294737927 455825496 /nfs/dbraw/zinc/82/54/96/455825496.db2.gz CALPTSYRWNRBAH-NVXWUHKLSA-N 0 0 348.462 3.229 20 10 EGCDRN COc1c([O-])c(C[NH2+]C[C@@H](C)Oc2ccccc2C)ccc1[N+](=O)[O-] ZINC000278465715 455836005 /nfs/dbraw/zinc/83/60/05/455836005.db2.gz GFYBPDBSZYYBJG-CYBMUJFWSA-N 0 0 346.383 3.175 20 10 EGCDRN CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000272074202 455839142 /nfs/dbraw/zinc/83/91/42/455839142.db2.gz PUZUUKMSFGXADD-APPDUMDISA-N 0 0 334.347 3.305 20 10 EGCDRN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278810271 455849389 /nfs/dbraw/zinc/84/93/89/455849389.db2.gz RWPIXQWODXPYQC-SECBINFHSA-N 0 0 331.243 3.395 20 10 EGCDRN COc1c([O-])c(C[NH2+]C2(c3ccccc3)CCC2)ccc1[N+](=O)[O-] ZINC000278854921 455850561 /nfs/dbraw/zinc/85/05/61/455850561.db2.gz LKFJMLGWBFJTAU-UHFFFAOYSA-N 0 0 328.368 3.478 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2CCC=C(c3ccncc3)C2)cc1 ZINC000285464557 455851326 /nfs/dbraw/zinc/85/13/26/455851326.db2.gz ASOTWGQMZUSDGN-UHFFFAOYSA-N 0 0 336.439 3.147 20 10 EGCDRN O=C(NCc1ccccc1O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000270002439 455854382 /nfs/dbraw/zinc/85/43/82/455854382.db2.gz XAVAKDDMWMWZJG-QAPCUYQASA-N 0 0 340.423 3.359 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000186966483 455856601 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EGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000882887942 1302149005 /nfs/dbraw/zinc/14/90/05/1302149005.db2.gz KAGFFBCFLAJONJ-UHFFFAOYSA-N 0 0 346.421 3.467 20 10 EGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000882887191 1302149330 /nfs/dbraw/zinc/14/93/30/1302149330.db2.gz GDNOPKJOTDGXEP-UHFFFAOYSA-N 0 0 348.271 3.296 20 10 EGCDRN CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882896083 1302152222 /nfs/dbraw/zinc/15/22/22/1302152222.db2.gz AQKNOJXWDAZDJZ-LBPRGKRZSA-N 0 0 348.393 3.489 20 10 EGCDRN CC(C)(C)OC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000764868578 1302155093 /nfs/dbraw/zinc/15/50/93/1302155093.db2.gz NUZRSYCYVKAPJA-UHFFFAOYSA-N 0 0 333.428 3.395 20 10 EGCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000882969739 1302187808 /nfs/dbraw/zinc/18/78/08/1302187808.db2.gz DJTJFFOCNZXHSZ-JTQLQIEISA-N 0 0 332.350 3.040 20 10 EGCDRN C[C@@](CO)([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC000883033944 1302215011 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CN(C)c1ccc(CNC(=O)Nc2nc(-c3ccccc3)no2)cc1 ZINC000765960001 1302357415 /nfs/dbraw/zinc/35/74/15/1302357415.db2.gz ZZNLAULTWWVSCT-UHFFFAOYSA-N 0 0 337.383 3.124 20 10 EGCDRN COc1ccc2c(c1)CCCCN2C[C@@H](O)COCc1cccs1 ZINC000766270159 1302418534 /nfs/dbraw/zinc/41/85/34/1302418534.db2.gz QWJGOHDSRHAIRZ-MRXNPFEDSA-N 0 0 347.480 3.477 20 10 EGCDRN COc1ccc2c(c1)CCCCN2[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000766270737 1302418918 /nfs/dbraw/zinc/41/89/18/1302418918.db2.gz RTZJOHGTKVBDNU-OAHLLOKOSA-N 0 0 342.361 3.001 20 10 EGCDRN CCn1cnn(CN2CCCc3cc(OC(F)F)ccc32)c1=S ZINC000766352363 1302435938 /nfs/dbraw/zinc/43/59/38/1302435938.db2.gz SPGNJPVQZOOJAC-UHFFFAOYSA-N 0 0 340.399 3.446 20 10 EGCDRN Cc1ccn2ncc(C(=O)NCCCSc3nccs3)c2c1 ZINC000766853069 1302531842 /nfs/dbraw/zinc/53/18/42/1302531842.db2.gz VMAZKCHMYFCSSS-UHFFFAOYSA-N 0 0 332.454 3.011 20 10 EGCDRN CN1CCCc2cc(CNC(=O)N3CCC(C(F)F)CC3)ccc21 ZINC000766918071 1302546200 /nfs/dbraw/zinc/54/62/00/1302546200.db2.gz HITJCWVTHZSULQ-UHFFFAOYSA-N 0 0 337.414 3.256 20 10 EGCDRN CC(C)[N@@H+]1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000768137663 1302833967 /nfs/dbraw/zinc/83/39/67/1302833967.db2.gz LPOZBQDXQQUQJY-UHFFFAOYSA-N 0 0 327.266 3.071 20 10 EGCDRN COc1cccc(O)c1CN(C)CC(=O)Nc1ccccc1SC ZINC000768168472 1302843026 /nfs/dbraw/zinc/84/30/26/1302843026.db2.gz ILNUXGFPHUSHDJ-UHFFFAOYSA-N 0 0 346.452 3.193 20 10 EGCDRN CN(C)c1ccc(CN2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000768251886 1302867121 /nfs/dbraw/zinc/86/71/21/1302867121.db2.gz BKEYHGZPZHVJGP-UHFFFAOYSA-N 0 0 343.515 3.367 20 10 EGCDRN CCOc1cccc(CN(C)Cc2cnn(-c3ccccc3)n2)c1O ZINC000768781645 1302977968 /nfs/dbraw/zinc/97/79/68/1302977968.db2.gz HVZYASORRVJWFC-UHFFFAOYSA-N 0 0 338.411 3.004 20 10 EGCDRN CN(C)c1ccc(CN2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000768887452 1303007627 /nfs/dbraw/zinc/00/76/27/1303007627.db2.gz ZGQGSTWAHNTMBO-UHFFFAOYSA-N 0 0 332.451 3.497 20 10 EGCDRN C[C@H]1OCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000769423974 1303110835 /nfs/dbraw/zinc/11/08/35/1303110835.db2.gz XZEVPKDUJRJXBB-HUUCEWRRSA-N 0 0 333.432 3.194 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1cccc2c1OCO2 ZINC000769947403 1303196393 /nfs/dbraw/zinc/19/63/93/1303196393.db2.gz KAQWZUCLNURZNH-UHFFFAOYSA-N 0 0 340.423 3.039 20 10 EGCDRN C[C@H](NC(=O)N1CCCC2(CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000770360441 1303253908 /nfs/dbraw/zinc/25/39/08/1303253908.db2.gz RYQWLEQWKMSDJS-INIZCTEOSA-N 0 0 343.471 3.170 20 10 EGCDRN CCCc1cc(N(CC)Cc2ccc(N(C)C)cc2)n2ncnc2n1 ZINC000770472027 1303273164 /nfs/dbraw/zinc/27/31/64/1303273164.db2.gz AMWKRPBRMBCJSR-UHFFFAOYSA-N 0 0 338.459 3.169 20 10 EGCDRN CCOc1cnc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)cn1 ZINC000770920719 1303331938 /nfs/dbraw/zinc/33/19/38/1303331938.db2.gz XBQHOGZHCLITII-UHFFFAOYSA-N 0 0 333.351 3.383 20 10 EGCDRN Cc1ccncc1[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000771443322 1303406847 /nfs/dbraw/zinc/40/68/47/1303406847.db2.gz WICIFVPVUGBHCC-HNNXBMFYSA-N 0 0 326.444 3.359 20 10 EGCDRN Cc1cc(CC(=O)NC[C@@H](C)CCO)c(C)n1-c1ccc(Cl)cc1 ZINC000771652751 1303428069 /nfs/dbraw/zinc/42/80/69/1303428069.db2.gz GISHLHZSQPAZHI-ZDUSSCGKSA-N 0 0 348.874 3.425 20 10 EGCDRN C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1c([O-])cccc1F ZINC000886506441 1303479970 /nfs/dbraw/zinc/47/99/70/1303479970.db2.gz SOFRBFMATPNOBV-HNNXBMFYSA-N 0 0 344.430 3.214 20 10 EGCDRN C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1c([O-])cccc1F ZINC000886528289 1303488582 /nfs/dbraw/zinc/48/85/82/1303488582.db2.gz JXOSJUXDCDPGMF-OCCSQVGLSA-N 0 0 328.387 3.267 20 10 EGCDRN CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886594439 1303517020 /nfs/dbraw/zinc/51/70/20/1303517020.db2.gz MMFBSFFRHUZSQO-CHWSQXEVSA-N 0 0 338.423 3.439 20 10 EGCDRN CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886603133 1303519344 /nfs/dbraw/zinc/51/93/44/1303519344.db2.gz HULNCDRNRQWUSA-SNVBAGLBSA-N 0 0 343.445 3.237 20 10 EGCDRN C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000886670440 1303549840 /nfs/dbraw/zinc/54/98/40/1303549840.db2.gz PGGNJTMLHXHAEV-AXFHLTTASA-N 0 0 334.243 3.280 20 10 EGCDRN Cc1cc(C)c(C(=O)COC(=O)C=Cc2ccc(O)c(O)c2)cc1C ZINC000772766650 1303574669 /nfs/dbraw/zinc/57/46/69/1303574669.db2.gz YMGZRJAEGOGLNT-ALCCZGGFSA-N 0 0 340.375 3.462 20 10 EGCDRN CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000772985111 1303601762 /nfs/dbraw/zinc/60/17/62/1303601762.db2.gz NOCFLTYWDMEHSG-QSFXBCCZSA-N 0 0 330.472 3.383 20 10 EGCDRN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000772993426 1303603196 /nfs/dbraw/zinc/60/31/96/1303603196.db2.gz HATPRNCNGFZWJS-ZDUSSCGKSA-N 0 0 327.384 3.081 20 10 EGCDRN C[C@@H](NC(=O)CSCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000773012244 1303606721 /nfs/dbraw/zinc/60/67/21/1303606721.db2.gz WXVMGYCFQXCGKF-CQSZACIVSA-N 0 0 329.469 3.258 20 10 EGCDRN COc1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000773019710 1303608862 /nfs/dbraw/zinc/60/88/62/1303608862.db2.gz ZHUFEXWNKKFLIT-ZDUSSCGKSA-N 0 0 330.403 3.320 20 10 EGCDRN C[C@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000773016680 1303609324 /nfs/dbraw/zinc/60/93/24/1303609324.db2.gz ANMOKIXCIGYEFV-SCLBCKFNSA-N 0 0 338.407 3.232 20 10 EGCDRN COc1ccccc1OCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773018662 1303609349 /nfs/dbraw/zinc/60/93/49/1303609349.db2.gz WNFUEZOCKSBHOG-CQSZACIVSA-N 0 0 328.412 3.017 20 10 EGCDRN COc1ccc(C)cc1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773020866 1303610117 /nfs/dbraw/zinc/61/01/17/1303610117.db2.gz XPABKXBPYRZCLU-HNNXBMFYSA-N 0 0 326.440 3.490 20 10 EGCDRN C[C@@H](NS(=O)(=O)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000773086672 1303622909 /nfs/dbraw/zinc/62/29/09/1303622909.db2.gz FTJFGOJHDNUBTF-LLVKDONJSA-N 0 0 340.395 3.070 20 10 EGCDRN C[C@H](NC(=O)NCCCOCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773216956 1303645802 /nfs/dbraw/zinc/64/58/02/1303645802.db2.gz GONRPCLNFCTCEH-LBPRGKRZSA-N 0 0 347.381 3.082 20 10 EGCDRN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000773248351 1303650433 /nfs/dbraw/zinc/65/04/33/1303650433.db2.gz ZNWSINFMHBQLCL-GPMSIDNRSA-N 0 0 345.487 3.414 20 10 EGCDRN COc1cc(SC)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000773275495 1303654022 /nfs/dbraw/zinc/65/40/22/1303654022.db2.gz UZKHOKHSHFFTLI-XBXARRHUSA-N 0 0 331.393 3.480 20 10 EGCDRN COc1ccc(N2CCN(C(=O)CC[C@@H](C)SC)CC2)cc1F ZINC000773309202 1303660834 /nfs/dbraw/zinc/66/08/34/1303660834.db2.gz OJOCQHMVNDGATE-CYBMUJFWSA-N 0 0 340.464 3.015 20 10 EGCDRN C[C@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1ccc(N(C)C)cc1 ZINC000773437325 1303681399 /nfs/dbraw/zinc/68/13/99/1303681399.db2.gz FYDNPGGIYLQZRO-BBRMVZONSA-N 0 0 333.476 3.459 20 10 EGCDRN C[C@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1ccc(N(C)C)cc1 ZINC000773614055 1303713907 /nfs/dbraw/zinc/71/39/07/1303713907.db2.gz YDUYVTMEEVZSMK-GOEBONIOSA-N 0 0 341.459 3.126 20 10 EGCDRN C[C@@H](NC(=O)NCCCc1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000773616063 1303714684 /nfs/dbraw/zinc/71/46/84/1303714684.db2.gz GVOGNPLCNQGZPT-OAHLLOKOSA-N 0 0 341.455 3.451 20 10 EGCDRN Cc1cccc([C@H](O)CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773629619 1303716657 /nfs/dbraw/zinc/71/66/57/1303716657.db2.gz RORQLBOQRVDXTC-DNVCBOLYSA-N 0 0 341.455 3.155 20 10 EGCDRN C[C@H](NC(=O)N1CCC2(C1)CCOCC2)c1ccc(N(C)C)cc1 ZINC000773625283 1303716792 /nfs/dbraw/zinc/71/67/92/1303716792.db2.gz QKHJZKDKCASJGA-HNNXBMFYSA-N 0 0 331.460 3.026 20 10 EGCDRN C[C@@H](NC(=O)NC[C@@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000773627887 1303716878 /nfs/dbraw/zinc/71/68/78/1303716878.db2.gz YYTVZGXUQNGQFO-FZKQIMNGSA-N 0 0 347.484 3.082 20 10 EGCDRN CCc1nn(C)cc1NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000774117319 1303775522 /nfs/dbraw/zinc/77/55/22/1303775522.db2.gz ZOMPITPVDFTOCL-UHFFFAOYSA-N 0 0 343.475 3.493 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774217140 1303787752 /nfs/dbraw/zinc/78/77/52/1303787752.db2.gz KVDQDQAVKRZNNU-MRVPVSSYSA-N 0 0 340.210 3.044 20 10 EGCDRN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774269352 1303792930 /nfs/dbraw/zinc/79/29/30/1303792930.db2.gz YYQPXVQUZQHUCU-KKFJDGPESA-N 0 0 331.243 3.264 20 10 EGCDRN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCOc2cc(N(C)C)ccc21 ZINC000774750253 1303856024 /nfs/dbraw/zinc/85/60/24/1303856024.db2.gz CEWMGTZIQXLGNK-HNNXBMFYSA-N 0 0 345.487 3.131 20 10 EGCDRN CCS[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774883904 1303871544 /nfs/dbraw/zinc/87/15/44/1303871544.db2.gz FBGNNBFDBUNAAD-ZDUSSCGKSA-N 0 0 340.445 3.417 20 10 EGCDRN COc1c(O)c(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)ccc1[N+](=O)[O-] ZINC000774974977 1303885390 /nfs/dbraw/zinc/88/53/90/1303885390.db2.gz GPTQVDHYDYELKS-MFKMUULPSA-N 0 0 332.356 3.315 20 10 EGCDRN COc1c([O-])c(C[NH2+]C2(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000775014874 1303889730 /nfs/dbraw/zinc/88/97/30/1303889730.db2.gz VBKRBGCRGTYSCO-UHFFFAOYSA-N 0 0 332.331 3.227 20 10 EGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000775062599 1303898356 /nfs/dbraw/zinc/89/83/56/1303898356.db2.gz DIDGZZWYNZERBC-UHFFFAOYSA-N 0 0 347.327 3.157 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2cccc(O)c2)c1 ZINC000775060465 1303898961 /nfs/dbraw/zinc/89/89/61/1303898961.db2.gz KDSDUKMERMEDHZ-NWDGAFQWSA-N 0 0 330.384 3.228 20 10 EGCDRN Cc1cccn2c(C[NH2+]Cc3cccc(Br)c3[O-])cnc12 ZINC000775153321 1303916921 /nfs/dbraw/zinc/91/69/21/1303916921.db2.gz STUQEWGRGKGHJH-UHFFFAOYSA-N 0 0 346.228 3.401 20 10 EGCDRN COCc1ccccc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000775291194 1303934904 /nfs/dbraw/zinc/93/49/04/1303934904.db2.gz FCBQJMOWZXTKFS-UHFFFAOYSA-N 0 0 335.425 3.265 20 10 EGCDRN Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775402147 1303957156 /nfs/dbraw/zinc/95/71/56/1303957156.db2.gz BQZGQAVOCSBKEV-HNNXBMFYSA-N 0 0 349.438 3.133 20 10 EGCDRN COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775500696 1303975704 /nfs/dbraw/zinc/97/57/04/1303975704.db2.gz WYSGVSIFQUXLMR-ZDUSSCGKSA-N 0 0 341.411 3.422 20 10 EGCDRN CC[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775500175 1303975727 /nfs/dbraw/zinc/97/57/27/1303975727.db2.gz YPUGQUXMZKTHHS-BXUZGUMPSA-N 0 0 347.286 3.460 20 10 EGCDRN 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CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCOC[C@H]1C ZINC000287732677 456076592 /nfs/dbraw/zinc/07/65/92/456076592.db2.gz CYCCFLJKCPBGIP-CVEARBPZSA-N 0 0 334.460 3.377 20 10 EGCDRN Cc1ccc(O)c(CNc2ccc(F)c(N3CCCNC3=O)c2)c1 ZINC000288365699 456094038 /nfs/dbraw/zinc/09/40/38/456094038.db2.gz DMJAFOZANRYTHZ-UHFFFAOYSA-N 0 0 329.375 3.372 20 10 EGCDRN C[C@H](O)c1ncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000289084196 456114464 /nfs/dbraw/zinc/11/44/64/456114464.db2.gz KTELLVXIWMYISC-ZFWWWQNUSA-N 0 0 348.468 3.083 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)[C@@]3(C)CCCOC3)cc2)CC1 ZINC000272935330 456116815 /nfs/dbraw/zinc/11/68/15/456116815.db2.gz QZZPYFJBFYWEJQ-FQEVSTJZSA-N 0 0 330.472 3.356 20 10 EGCDRN Oc1ccc(F)cc1CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000289712004 456137426 /nfs/dbraw/zinc/13/74/26/456137426.db2.gz GSQQNUKLIDLRAN-GDBMZVCRSA-N 0 0 347.390 3.493 20 10 EGCDRN CC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[S@@]1=O ZINC000289805703 456143586 /nfs/dbraw/zinc/14/35/86/456143586.db2.gz 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CC[C@H](CO)NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067711341 1292170529 /nfs/dbraw/zinc/17/05/29/1292170529.db2.gz HNTPJMRJKYUVRC-MRXNPFEDSA-N 0 0 333.476 3.026 20 10 EGCDRN O=C(Cc1noc(-c2ccc(-n3cccc3)cc2)n1)NC1CCCC1 ZINC000072587704 1292282137 /nfs/dbraw/zinc/28/21/37/1292282137.db2.gz UQSAKHIZLABHJP-UHFFFAOYSA-N 0 0 336.395 3.129 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)c3ccncc3Cl)CC2)cc1 ZINC000073072442 1292304443 /nfs/dbraw/zinc/30/44/43/1292304443.db2.gz NSOXROWVWJWMLP-UHFFFAOYSA-N 0 0 345.830 3.142 20 10 EGCDRN Cc1cc(C(=O)CN(C)CC[C@@H](C)O)c(C)n1-c1ccc(Cl)cn1 ZINC000827894604 1292396432 /nfs/dbraw/zinc/39/64/32/1292396432.db2.gz QMEWDHOZSKZOSJ-CYBMUJFWSA-N 0 0 349.862 3.028 20 10 EGCDRN C[C@@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccccc1O ZINC000827930670 1292405509 /nfs/dbraw/zinc/40/55/09/1292405509.db2.gz PCWBVGJXRZVWQC-CQSZACIVSA-N 0 0 343.398 3.457 20 10 EGCDRN C[C@@H](NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000827937074 1292408141 /nfs/dbraw/zinc/40/81/41/1292408141.db2.gz JWTNDLRGAGNPDQ-QWHCGFSZSA-N 0 0 336.432 3.072 20 10 EGCDRN COc1ccc(OC(C)(C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827951977 1292411987 /nfs/dbraw/zinc/41/19/87/1292411987.db2.gz BEMBVTPZGDMVMW-CYBMUJFWSA-N 0 0 329.396 3.436 20 10 EGCDRN CCSCC[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000076790138 1292442544 /nfs/dbraw/zinc/44/25/44/1292442544.db2.gz UPATXKYSPQYTHT-RYUDHWBXSA-N 0 0 326.462 3.293 20 10 EGCDRN C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000828862413 1292508008 /nfs/dbraw/zinc/50/80/08/1292508008.db2.gz WALWDPAXGFGUBJ-FUHWJXTLSA-N 0 0 337.467 3.456 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000078493447 1292513717 /nfs/dbraw/zinc/51/37/17/1292513717.db2.gz RGUAZHMOIUKZRM-JTQLQIEISA-N 0 0 331.328 3.192 20 10 EGCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1N ZINC000829002809 1292527348 /nfs/dbraw/zinc/52/73/48/1292527348.db2.gz FIWOTKBCQHSASB-KRWDZBQOSA-N 0 0 340.423 3.104 20 10 EGCDRN Cc1cc(CN[C@H](C)c2nnnn2C2CC2)ccc1N1CCCCC1 ZINC000829190626 1292551388 /nfs/dbraw/zinc/55/13/88/1292551388.db2.gz OIFGMOPLWJGDNM-OAHLLOKOSA-N 0 0 340.475 3.158 20 10 EGCDRN C/C(=C/C(=O)N1CCN(C2CC2)c2cc(F)ccc21)c1cnccn1 ZINC000829742425 1292611849 /nfs/dbraw/zinc/61/18/49/1292611849.db2.gz MSMNVYIMAWWACW-RAXLEYEMSA-N 0 0 338.386 3.035 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)[C@H](O)c3ccccc3)cc2)CC1 ZINC000081366295 1292653753 /nfs/dbraw/zinc/65/37/53/1292653753.db2.gz UWAGZVSASKZZEU-HXUWFJFHSA-N 0 0 338.451 3.273 20 10 EGCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000830532206 1292729202 /nfs/dbraw/zinc/72/92/02/1292729202.db2.gz SQNVDDUZYJAFES-ZWKOTPCHSA-N 0 0 339.435 3.416 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCC[C@@H](O)c2ccccc2)c1 ZINC000830540471 1292730570 /nfs/dbraw/zinc/73/05/70/1292730570.db2.gz KNLZMPQHCHIPTL-KBXCAEBGSA-N 0 0 343.423 3.482 20 10 EGCDRN CC[C@H](CSC)N(C)C(=O)NCCCSc1nccs1 ZINC000091228605 1292831621 /nfs/dbraw/zinc/83/16/21/1292831621.db2.gz HIPFCVJGQUMGCN-LLVKDONJSA-N 0 0 333.548 3.408 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)nnn2C ZINC000831976451 1292942406 /nfs/dbraw/zinc/94/24/06/1292942406.db2.gz WTTQBYASCBWJDS-UHFFFAOYSA-N 0 0 339.399 3.118 20 10 EGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000097216681 1292959183 /nfs/dbraw/zinc/95/91/83/1292959183.db2.gz YVITYEHZSAQJER-MJGOQNOKSA-N 0 0 345.487 3.291 20 10 EGCDRN CNc1ncnc2cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc21 ZINC000832437187 1293007038 /nfs/dbraw/zinc/00/70/38/1293007038.db2.gz YGGKDBWIFVHSAE-ZDUSSCGKSA-N 0 0 349.438 3.229 20 10 EGCDRN Cc1cc(C(=O)NCc2nc(C)no2)c(C)n1-c1ccc(Cl)cc1 ZINC000104299133 1293022453 /nfs/dbraw/zinc/02/24/53/1293022453.db2.gz IXAURGAIFIEQDT-UHFFFAOYSA-N 0 0 344.802 3.369 20 10 EGCDRN COc1cccc(CNC(=O)Nc2cccc(Cl)c2N(C)C)c1O ZINC000105003941 1293029810 /nfs/dbraw/zinc/02/98/10/1293029810.db2.gz DKYDGWMFLILHBQ-UHFFFAOYSA-N 0 0 349.818 3.442 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1scnc1C ZINC000105256864 1293030810 /nfs/dbraw/zinc/03/08/10/1293030810.db2.gz LFABFTVBKDGUFQ-UHFFFAOYSA-N 0 0 332.473 3.249 20 10 EGCDRN COc1cc(Cl)ccc1CNC(=O)N(C)Cc1ccccc1O ZINC000107858576 1293072751 /nfs/dbraw/zinc/07/27/51/1293072751.db2.gz SGGKTJMNGPIWEC-UHFFFAOYSA-N 0 0 334.803 3.396 20 10 EGCDRN CCOc1ccc(CNc2n[nH]c(CC)c2Br)c(O)c1 ZINC000834474762 1293102763 /nfs/dbraw/zinc/10/27/63/1293102763.db2.gz FAWSSSKEHDYGHK-UHFFFAOYSA-N 0 0 340.221 3.451 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC000111877903 1293112524 /nfs/dbraw/zinc/11/25/24/1293112524.db2.gz ACAJJXMVBDRJEP-ZFWWWQNUSA-N 0 0 340.423 3.491 20 10 EGCDRN O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000834782575 1293147164 /nfs/dbraw/zinc/14/71/64/1293147164.db2.gz XINNNSAFPRNTDQ-OAHLLOKOSA-N 0 0 345.420 3.192 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)OC)c1 ZINC000834855924 1293157532 /nfs/dbraw/zinc/15/75/32/1293157532.db2.gz HYBILHIHMSNWBB-WMLDXEAASA-N 0 0 343.423 3.087 20 10 EGCDRN C[C@@H](CCCO)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000834870963 1293159468 /nfs/dbraw/zinc/15/94/68/1293159468.db2.gz MACBVOSLSQQPPT-UWVGGRQHSA-N 0 0 334.229 3.353 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000834885288 1293163547 /nfs/dbraw/zinc/16/35/47/1293163547.db2.gz UXPIMVZHILMRNE-XPTSAGLGSA-N 0 0 332.227 3.413 20 10 EGCDRN Cc1cc(C(=O)NCCCSc2nccs2)nn1C(C)(C)C ZINC000114375137 1293164358 /nfs/dbraw/zinc/16/43/58/1293164358.db2.gz WKSSLJGCHBUKKG-UHFFFAOYSA-N 0 0 338.502 3.315 20 10 EGCDRN COc1ccc(O)c(CNC(=O)c2cc(-c3ccccc3F)on2)c1 ZINC000114540577 1293168884 /nfs/dbraw/zinc/16/88/84/1293168884.db2.gz QGNWCQZXBLLPNR-UHFFFAOYSA-N 0 0 342.326 3.125 20 10 EGCDRN COc1ccc(O)c(CNC(=O)c2nc(-c3ccco3)sc2C)c1 ZINC000114543657 1293169405 /nfs/dbraw/zinc/16/94/05/1293169405.db2.gz SQEVQIPWGYITAD-UHFFFAOYSA-N 0 0 344.392 3.356 20 10 EGCDRN COc1ccc(O)c(CNC(=O)CCCOc2cccc(F)c2)c1 ZINC000114544041 1293169771 /nfs/dbraw/zinc/16/97/71/1293169771.db2.gz KCKIZPQYHWACQL-UHFFFAOYSA-N 0 0 333.359 3.015 20 10 EGCDRN CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834904870 1293171239 /nfs/dbraw/zinc/17/12/39/1293171239.db2.gz PJRZPIXBGRUMJQ-CQSZACIVSA-N 0 0 347.286 3.196 20 10 EGCDRN COc1ccc(O)c(CNC(=O)NCC(C)(C)c2cccc(C)c2)c1 ZINC000114592688 1293172447 /nfs/dbraw/zinc/17/24/47/1293172447.db2.gz JXZUFPZPZWGZGF-UHFFFAOYSA-N 0 0 342.439 3.486 20 10 EGCDRN COc1ccc(SCC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115280014 1293186362 /nfs/dbraw/zinc/18/63/62/1293186362.db2.gz VAJVWUFSRPDSEC-UHFFFAOYSA-N 0 0 344.480 3.478 20 10 EGCDRN COc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2C)cc1F ZINC000115282255 1293187185 /nfs/dbraw/zinc/18/71/85/1293187185.db2.gz MOADGRJXKNFUAG-UHFFFAOYSA-N 0 0 344.430 3.458 20 10 EGCDRN CC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115281695 1293187194 /nfs/dbraw/zinc/18/71/94/1293187194.db2.gz PJCIQIPZYIZOAD-UHFFFAOYSA-N 0 0 343.402 3.089 20 10 EGCDRN CCO[C@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000115282044 1293187360 /nfs/dbraw/zinc/18/73/60/1293187360.db2.gz AGEBTJDXVBDOCF-IBGZPJMESA-N 0 0 326.440 3.455 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000115712373 1293193732 /nfs/dbraw/zinc/19/37/32/1293193732.db2.gz VULZCDXNRVQADL-ORAYPTAESA-N 0 0 341.407 3.282 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1ccccc1O ZINC000115854262 1293195549 /nfs/dbraw/zinc/19/55/49/1293195549.db2.gz XJGQYRXWJOXEIU-UHFFFAOYSA-N 0 0 327.428 3.108 20 10 EGCDRN Cc1cc(C(=O)NCC2(O)CCCCCC2)c(C)n1-c1ccccn1 ZINC000118698713 1293242094 /nfs/dbraw/zinc/24/20/94/1293242094.db2.gz ZMYMFMTUCGNSBD-UHFFFAOYSA-N 0 0 341.455 3.304 20 10 EGCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000119840995 1293290456 /nfs/dbraw/zinc/29/04/56/1293290456.db2.gz GFQJVGFWTLCNRZ-UHFFFAOYSA-N 0 0 349.452 3.177 20 10 EGCDRN CCCC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000119897379 1293293811 /nfs/dbraw/zinc/29/38/11/1293293811.db2.gz GEPYJSANJDEQHL-UHFFFAOYSA-N 0 0 345.487 3.293 20 10 EGCDRN Cc1cc(C(=O)OCC(=O)Nc2ccccc2)c(C)n1-c1ccccn1 ZINC000120088343 1293303954 /nfs/dbraw/zinc/30/39/54/1293303954.db2.gz VJXMANHYPJJUKI-UHFFFAOYSA-N 0 0 349.390 3.285 20 10 EGCDRN CC(C)n1cccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000120157877 1293308101 /nfs/dbraw/zinc/30/81/01/1293308101.db2.gz RFRHGGLBRMEEES-INIZCTEOSA-N 0 0 341.455 3.397 20 10 EGCDRN COc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1O ZINC000120318217 1293315934 /nfs/dbraw/zinc/31/59/34/1293315934.db2.gz LETIFBXFCKFHKR-UHFFFAOYSA-N 0 0 345.355 3.248 20 10 EGCDRN COc1ccc(O)c(CNC(=O)NCc2ccc(C)cc2SC)c1 ZINC000121473964 1293373060 /nfs/dbraw/zinc/37/30/60/1293373060.db2.gz BXRIBQWSRLCWNR-UHFFFAOYSA-N 0 0 346.452 3.431 20 10 EGCDRN COCCn1c(C)c(C)c2cc(C(=O)O[C@H]3CCOC[C@@H]3C)ccc21 ZINC000835784023 1293374745 /nfs/dbraw/zinc/37/47/45/1293374745.db2.gz WOMTTWRRWRGWSR-DJJJIMSYSA-N 0 0 345.439 3.486 20 10 EGCDRN COc1ccc(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1F ZINC000121711613 1293385211 /nfs/dbraw/zinc/38/52/11/1293385211.db2.gz JQXOASFGTRTFOQ-UHFFFAOYSA-N 0 0 347.346 3.126 20 10 EGCDRN CC/C=C/CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000836241368 1293466149 /nfs/dbraw/zinc/46/61/49/1293466149.db2.gz MYZFAJBCKYLOQR-WHJWBVKISA-N 0 0 349.450 3.205 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCSC2)cc1F ZINC000124492090 1293477297 /nfs/dbraw/zinc/47/72/97/1293477297.db2.gz BCFXUXWRTCXSHS-AWEZNQCLSA-N 0 0 339.480 3.319 20 10 EGCDRN Cc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1F ZINC000128138509 1293584563 /nfs/dbraw/zinc/58/45/63/1293584563.db2.gz ALDJGDIKZMAYDQ-HNNXBMFYSA-N 0 0 342.414 3.462 20 10 EGCDRN Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000128286469 1293588530 /nfs/dbraw/zinc/58/85/30/1293588530.db2.gz MOSZOMFUHSGMPW-CYBMUJFWSA-N 0 0 344.459 3.096 20 10 EGCDRN CCN(CC)c1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000128348836 1293590227 /nfs/dbraw/zinc/59/02/27/1293590227.db2.gz SEWZRNZFIXOJSV-UHFFFAOYSA-N 0 0 331.504 3.223 20 10 EGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000128503495 1293595660 /nfs/dbraw/zinc/59/56/60/1293595660.db2.gz YVSUYUYSSYDMBW-UHFFFAOYSA-N 0 0 339.483 3.221 20 10 EGCDRN CCC(CC)n1nccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000128654496 1293600209 /nfs/dbraw/zinc/60/02/09/1293600209.db2.gz SDUIMTBECNERML-GFCCVEGCSA-N 0 0 331.416 3.449 20 10 EGCDRN Cc1cc(C(=O)NC[C@@H](O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000130106626 1293644615 /nfs/dbraw/zinc/64/46/15/1293644615.db2.gz YKYCIMZYWRAXRI-QGZVFWFLSA-N 0 0 342.370 3.290 20 10 EGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2occc2[nH]1 ZINC000133171901 1293737743 /nfs/dbraw/zinc/73/77/43/1293737743.db2.gz PFZGIWDEIFNPFL-UHFFFAOYSA-N 0 0 341.436 3.244 20 10 EGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1cnc2ccccn12 ZINC000133173676 1293738944 /nfs/dbraw/zinc/73/89/44/1293738944.db2.gz YZMZCLVEDKPLPJ-GXDHUFHOSA-N 0 0 326.425 3.227 20 10 EGCDRN CC(C)(C)[NH+]1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000133401988 1293743711 /nfs/dbraw/zinc/74/37/11/1293743711.db2.gz JVAVHZZAAXIYQT-UHFFFAOYSA-N 0 0 327.266 3.071 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000133907736 1293757561 /nfs/dbraw/zinc/75/75/61/1293757561.db2.gz QJFMZBHIWUMPBT-UHFFFAOYSA-N 0 0 338.367 3.293 20 10 EGCDRN CCC[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000134332496 1293771242 /nfs/dbraw/zinc/77/12/42/1293771242.db2.gz BJOWXTLMCCYIAW-INIZCTEOSA-N 0 0 336.451 3.351 20 10 EGCDRN COc1ccc(-c2n[nH]cc2C(=O)N(C)Cc2ccccc2O)cc1 ZINC000136951210 1293824933 /nfs/dbraw/zinc/82/49/33/1293824933.db2.gz CTMUENOEAXYVFI-UHFFFAOYSA-N 0 0 337.379 3.063 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@](C)(CO)C1 ZINC000151496047 1293927096 /nfs/dbraw/zinc/92/70/96/1293927096.db2.gz LQQURFZRJVTHPJ-SFHVURJKSA-N 0 0 332.469 3.390 20 10 EGCDRN COc1ccc2ccc(O)c(C[NH+]3CCC(C4OCCO4)CC3)c2c1 ZINC000152285719 1293962223 /nfs/dbraw/zinc/96/22/23/1293962223.db2.gz UPPLZRHQLDEYFH-UHFFFAOYSA-N 0 0 343.423 3.139 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)c2c(C)n[nH]c2C)c1 ZINC000152375849 1293966118 /nfs/dbraw/zinc/96/61/18/1293966118.db2.gz HEEMJZHPLXVBCZ-QWRGUYRKSA-N 0 0 331.416 3.112 20 10 EGCDRN 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COC(=O)C(C)(C)[C@H](NC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000841298430 1321249339 /nfs/dbraw/zinc/24/93/39/1321249339.db2.gz PEEAXGFWINUXSF-MRXNPFEDSA-N 0 0 341.411 3.331 20 10 EGCDRN COc1cc2c(c(OC)c1)N(C(=O)/C=C\c1cncc(F)c1)CCC2 ZINC000841334666 1321258919 /nfs/dbraw/zinc/25/89/19/1321258919.db2.gz HATDHJHFGZVVHK-WAYWQWQTSA-N 0 0 342.370 3.231 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000841490121 1321279293 /nfs/dbraw/zinc/27/92/93/1321279293.db2.gz LRHDQJUOPBCKEL-RBUKOAKNSA-N 0 0 344.480 3.037 20 10 EGCDRN C[C@H](NC(=O)N1C[C@H](C)[C@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000841579595 1321285018 /nfs/dbraw/zinc/28/50/18/1321285018.db2.gz CXOSUGTWLYRLHF-LUKYLMHMSA-N 0 0 345.487 3.270 20 10 EGCDRN C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(Cl)cc1[O-] ZINC000841748677 1321306703 /nfs/dbraw/zinc/30/67/03/1321306703.db2.gz YAXDXJVXJJLFLN-GFCCVEGCSA-N 0 0 348.830 3.222 20 10 EGCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000841752387 1321306797 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Nc1ccc(CCNC(=O)NC[C@H]2CCCCC(F)(F)C2)cc1 ZINC000841910501 1321329010 /nfs/dbraw/zinc/32/90/10/1321329010.db2.gz ILNVTKRIYLDVAL-AWEZNQCLSA-N 0 0 325.403 3.326 20 10 EGCDRN [NH3+]C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCCCC1 ZINC000841922429 1321329805 /nfs/dbraw/zinc/32/98/05/1321329805.db2.gz IFQPMONPYMOVLJ-UHFFFAOYSA-N 0 0 346.258 3.160 20 10 EGCDRN Nc1ccc(CCNC(=O)N(Cc2ccccc2)CC(F)F)cc1 ZINC000841956414 1321331981 /nfs/dbraw/zinc/33/19/81/1321331981.db2.gz AXUVNCLUEVCHKV-UHFFFAOYSA-N 0 0 333.382 3.288 20 10 EGCDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000841961234 1321332557 /nfs/dbraw/zinc/33/25/57/1321332557.db2.gz DGKKEMNLVKEEGC-UHFFFAOYSA-N 0 0 349.381 3.254 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)[C@H]2C[C@@H](C)CCN2C1=O ZINC000842264903 1321367047 /nfs/dbraw/zinc/36/70/47/1321367047.db2.gz OEDIZVODLLDBPB-DHSIGJKJSA-N 0 0 343.471 3.055 20 10 EGCDRN CCc1c(-c2nc(Cc3ccc(N)cc3)no2)cnn1CC(C)C ZINC000843160287 1321481165 /nfs/dbraw/zinc/48/11/65/1321481165.db2.gz GXKRETQBNAGBEB-UHFFFAOYSA-N 0 0 325.416 3.325 20 10 EGCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C(=O)NCc1cccs1 ZINC000843428429 1321517595 /nfs/dbraw/zinc/51/75/95/1321517595.db2.gz XFXCENWYQSNABR-AWEZNQCLSA-N 0 0 338.860 3.292 20 10 EGCDRN COc1ccc(N(C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000844353530 1321592674 /nfs/dbraw/zinc/59/26/74/1321592674.db2.gz XOSGZXCZBOVMHV-UHFFFAOYSA-N 0 0 349.434 3.198 20 10 EGCDRN CO[C@H](CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000844581539 1321623442 /nfs/dbraw/zinc/62/34/42/1321623442.db2.gz XYFHQPAUOZDTOA-IUODEOHRSA-N 0 0 346.393 3.076 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(C(C)C)on2)cc1 ZINC000844855285 1321650925 /nfs/dbraw/zinc/65/09/25/1321650925.db2.gz UAIMMVUCKWUNGO-UHFFFAOYSA-N 0 0 331.416 3.015 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2nc(Cl)cs2)cc1 ZINC000844854658 1321651286 /nfs/dbraw/zinc/65/12/86/1321651286.db2.gz CGFVZAGNXIACRA-UHFFFAOYSA-N 0 0 339.848 3.014 20 10 EGCDRN CCNCc1noc(Cn2c3ccc(OC)cc3c3c2CCCC3)n1 ZINC000844905322 1321656011 /nfs/dbraw/zinc/65/60/11/1321656011.db2.gz CCGJLTDQBAJYMH-UHFFFAOYSA-N 0 0 340.427 3.070 20 10 EGCDRN C[C@H](NC(=O)NC1(C2CCC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000844927505 1321659495 /nfs/dbraw/zinc/65/94/95/1321659495.db2.gz PEDCGCAFFRIDGA-HNNXBMFYSA-N 0 0 343.471 3.216 20 10 EGCDRN C[C@@H]1CCCc2ncc(C(=O)N(C)Cc3ccc(N(C)C)cc3)n21 ZINC000845115611 1321676717 /nfs/dbraw/zinc/67/67/17/1321676717.db2.gz STFKBOQNJUPSMB-CQSZACIVSA-N 0 0 326.444 3.119 20 10 EGCDRN C[C@@]1(CNC(=O)NCc2cc(Cl)ccc2O)CCO[C@@H]1C1CC1 ZINC000845117075 1321677279 /nfs/dbraw/zinc/67/72/79/1321677279.db2.gz RPOPNXHHEDFZKQ-WBVHZDCISA-N 0 0 338.835 3.050 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)COCC1CC1 ZINC000845262324 1321689628 /nfs/dbraw/zinc/68/96/28/1321689628.db2.gz UAFQXQXQYLJFQO-HZPDHXFCSA-N 0 0 347.503 3.106 20 10 EGCDRN C[C@@H]1C[C@H]1c1nnc2ccc(NCc3cc(Cl)ccc3O)nn21 ZINC000845709828 1321735235 /nfs/dbraw/zinc/73/52/35/1321735235.db2.gz YORYYGFSVQLABC-BXKDBHETSA-N 0 0 329.791 3.219 20 10 EGCDRN COc1ccc(N(C)C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000845998725 1321761848 /nfs/dbraw/zinc/76/18/48/1321761848.db2.gz NSYGIHGTWQDRIP-CQSZACIVSA-N 0 0 333.453 3.339 20 10 EGCDRN COc1ccc(N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000845999722 1321761948 /nfs/dbraw/zinc/76/19/48/1321761948.db2.gz YCSXAWMSXOWZHE-UHFFFAOYSA-N 0 0 330.340 3.011 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccccc2C(C)=O)cc1 ZINC000846446500 1321787226 /nfs/dbraw/zinc/78/72/26/1321787226.db2.gz NIOHSRHIQWIBQB-UHFFFAOYSA-N 0 0 340.423 3.106 20 10 EGCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)nn1[C@@H](C)C1CC1 ZINC000846474643 1321788060 /nfs/dbraw/zinc/78/80/60/1321788060.db2.gz YCWMRZQHYALFTO-NSHDSACASA-N 0 0 333.819 3.452 20 10 EGCDRN CCOC(=O)CC(C)(C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846661847 1321799326 /nfs/dbraw/zinc/79/93/26/1321799326.db2.gz WYPTVKYONIWXFR-UHFFFAOYSA-N 0 0 327.808 3.031 20 10 EGCDRN COc1ccc2c(c1)CN(C(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC000847323427 1321862908 /nfs/dbraw/zinc/86/29/08/1321862908.db2.gz GWZIJEDLXHILQL-UHFFFAOYSA-N 0 0 349.434 3.297 20 10 EGCDRN C[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000847355648 1321865452 /nfs/dbraw/zinc/86/54/52/1321865452.db2.gz CUTDACDBYWGUSF-ZIAGYGMSSA-N 0 0 349.475 3.091 20 10 EGCDRN CC[C@H](C)c1nc(C)c(CC(=O)NCc2ccccc2O)c(C)n1 ZINC000847589543 1321882747 /nfs/dbraw/zinc/88/27/47/1321882747.db2.gz IZOHAPFUIYZXLP-LBPRGKRZSA-N 0 0 327.428 3.171 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1c(F)cccc1F ZINC000847696236 1321894265 /nfs/dbraw/zinc/89/42/65/1321894265.db2.gz OICOYXQWSPHAFB-LBPRGKRZSA-N 0 0 349.377 3.446 20 10 EGCDRN O=C(C[C@H]1CCCC[C@@H]1O)NCc1ccc(N2CCCCC2)cc1 ZINC000848226464 1321945045 /nfs/dbraw/zinc/94/50/45/1321945045.db2.gz QWPCKWNPFHNCLH-MJGOQNOKSA-N 0 0 330.472 3.234 20 10 EGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1c[nH]c2cccnc12 ZINC000848224736 1321945204 /nfs/dbraw/zinc/94/52/04/1321945204.db2.gz ADSJPJCZUYSWKB-UHFFFAOYSA-N 0 0 334.423 3.483 20 10 EGCDRN CCOC(=O)CN(CC)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000918710102 1321981159 /nfs/dbraw/zinc/98/11/59/1321981159.db2.gz PJCOXCDRFGYCHT-UHFFFAOYSA-N 0 0 346.402 3.258 20 10 EGCDRN COc1cccc(CNc2cc(C(F)F)nc(SC)n2)c1O ZINC000848662500 1321991540 /nfs/dbraw/zinc/99/15/40/1321991540.db2.gz XUJHRYIUDHBACX-UHFFFAOYSA-N 0 0 327.356 3.462 20 10 EGCDRN Cc1ccnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000918757123 1321992487 /nfs/dbraw/zinc/99/24/87/1321992487.db2.gz WKJSVFZGSLWYFM-UHFFFAOYSA-N 0 0 329.469 3.207 20 10 EGCDRN Fc1cc2c(cc1F)CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000848925903 1322046941 /nfs/dbraw/zinc/04/69/41/1322046941.db2.gz NGGHDDQLWLJRSV-UHFFFAOYSA-N 0 0 330.378 3.317 20 10 EGCDRN Cc1noc([C@@H](C)N(C)Cc2cc(C)cc(Br)c2O)n1 ZINC000848926218 1322048115 /nfs/dbraw/zinc/04/81/15/1322048115.db2.gz SCZGEVWWAHKJDN-SECBINFHSA-N 0 0 340.221 3.348 20 10 EGCDRN CC[C@@H](C)c1nc(C)c(CC(=O)NCc2ccc(N)cc2)c(C)n1 ZINC000848941006 1322049056 /nfs/dbraw/zinc/04/90/56/1322049056.db2.gz ZQYUJBKKLBLFOE-GFCCVEGCSA-N 0 0 326.444 3.048 20 10 EGCDRN CCN(C(C)=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000849347032 1322115680 /nfs/dbraw/zinc/11/56/80/1322115680.db2.gz NNZRTFJGYNYFEA-UHFFFAOYSA-N 0 0 330.407 3.272 20 10 EGCDRN COC(=O)CN(Cc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000919945476 1322119748 /nfs/dbraw/zinc/11/97/48/1322119748.db2.gz INYSVYUDKVUKGR-UHFFFAOYSA-N 0 0 325.408 3.056 20 10 EGCDRN COC[C@@H]1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC000859512461 1329004139 /nfs/dbraw/zinc/00/41/39/1329004139.db2.gz MOSZCMLZQZUIII-MRXNPFEDSA-N 0 0 340.423 3.015 20 10 EGCDRN COc1ccc(N(C)CC(=O)N(C)Cc2ccccc2C)cc1OC ZINC000920418434 1322175581 /nfs/dbraw/zinc/17/55/81/1322175581.db2.gz SYHUGJVTNCEQRO-UHFFFAOYSA-N 0 0 342.439 3.107 20 10 EGCDRN Cc1nc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)[nH]c1C ZINC000850034577 1322186751 /nfs/dbraw/zinc/18/67/51/1322186751.db2.gz OYJVPJVOCQHVNV-BETUJISGSA-N 0 0 346.450 3.069 20 10 EGCDRN CCc1ncc(C(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000920850974 1322229116 /nfs/dbraw/zinc/22/91/16/1322229116.db2.gz GKNMVTZHRKJALD-UHFFFAOYSA-N 0 0 347.509 3.189 20 10 EGCDRN CCOC(=O)CCN(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000920889994 1322231153 /nfs/dbraw/zinc/23/11/53/1322231153.db2.gz SOWDLDMGIYSOKB-UHFFFAOYSA-N 0 0 342.439 3.428 20 10 EGCDRN CC(C)CN1C(=O)C(=CNc2ccccc2C(C)C)C(=O)NC1=S ZINC000920976545 1322239991 /nfs/dbraw/zinc/23/99/91/1322239991.db2.gz XCDQPECHTNNUSN-NTEUORMPSA-N 0 0 345.468 3.005 20 10 EGCDRN CCN(CC(=O)N(C)[C@@H](C)CC(C)C)c1ccc(OC)c(OC)c1 ZINC000921062294 1322250542 /nfs/dbraw/zinc/25/05/42/1322250542.db2.gz VNGFOWQZQXWXJE-HNNXBMFYSA-N 0 0 336.476 3.423 20 10 EGCDRN C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000850544567 1322263107 /nfs/dbraw/zinc/26/31/07/1322263107.db2.gz IFHBAIDXGBFLGB-GXSJLCMTSA-N 0 0 346.240 3.353 20 10 EGCDRN C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000850580956 1322272795 /nfs/dbraw/zinc/27/27/95/1322272795.db2.gz SIYWMKXKYOXVMB-JKYUHCHBSA-N 0 0 347.283 3.472 20 10 EGCDRN O=C(NCCCSc1nccs1)NCc1cccc2c1OCC2 ZINC000921447245 1322317402 /nfs/dbraw/zinc/31/74/02/1322317402.db2.gz CBXMXTOFCVZQTP-UHFFFAOYSA-N 0 0 349.481 3.060 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)[C@@H]2CCOC2)c1 ZINC000859598589 1329031456 /nfs/dbraw/zinc/03/14/56/1329031456.db2.gz HZMWOHYDEPYPNQ-RHSMWYFYSA-N 0 0 340.423 3.061 20 10 EGCDRN Cn1nc(CNCc2c(O)cccc2Br)cc1C1CC1 ZINC000922955807 1322659901 /nfs/dbraw/zinc/65/99/01/1322659901.db2.gz NNWMTKGPUZBGRW-UHFFFAOYSA-N 0 0 336.233 3.055 20 10 EGCDRN CCc1onc(C)c1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000922987154 1322670202 /nfs/dbraw/zinc/67/02/02/1322670202.db2.gz ARAWKRYWBKDJFC-UHFFFAOYSA-N 0 0 325.206 3.303 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCSC1 ZINC000859668429 1329049934 /nfs/dbraw/zinc/04/99/34/1329049934.db2.gz XSEVGVUYXOPXJW-OAHLLOKOSA-N 0 0 328.437 3.142 20 10 EGCDRN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ncco1 ZINC000924716342 1323129395 /nfs/dbraw/zinc/12/93/95/1323129395.db2.gz PKNDRMCMDZLRBP-MJBXVCDLSA-N 0 0 333.407 3.278 20 10 EGCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000852014095 1323132836 /nfs/dbraw/zinc/13/28/36/1323132836.db2.gz YUIMQRDDVKJNHM-KSSFIOAISA-N 0 0 331.460 3.072 20 10 EGCDRN CC[C@H](C)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000852492420 1323199148 /nfs/dbraw/zinc/19/91/48/1323199148.db2.gz QJORDMUNTQSKNM-INIZCTEOSA-N 0 0 333.476 3.101 20 10 EGCDRN CSCC1(CCNC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000852504100 1323199794 /nfs/dbraw/zinc/19/97/94/1323199794.db2.gz XYDGTJBLRFVNCX-UHFFFAOYSA-N 0 0 339.480 3.224 20 10 EGCDRN CO[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000852654774 1323222491 /nfs/dbraw/zinc/22/24/91/1323222491.db2.gz PGRNZJQOIHLHJM-GOSISDBHSA-N 0 0 333.476 3.099 20 10 EGCDRN CC(=O)c1cc(Cl)cc(CNC(C)(C)C(=O)OC(C)(C)C)c1O ZINC000859964265 1329119278 /nfs/dbraw/zinc/11/92/78/1329119278.db2.gz FGBPUXWOJNPNGK-UHFFFAOYSA-N 0 0 341.835 3.458 20 10 EGCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])s1 ZINC000853229378 1325066185 /nfs/dbraw/zinc/06/61/85/1325066185.db2.gz 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C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc2ccccc2c1O ZINC000278183079 455780121 /nfs/dbraw/zinc/78/01/21/455780121.db2.gz BPSYOEBPEQATKW-HNNXBMFYSA-N 0 0 326.440 3.061 20 10 EGCDRN Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1O ZINC000193848621 455783044 /nfs/dbraw/zinc/78/30/44/455783044.db2.gz OMAJNOLGFHPJQG-KRWDZBQOSA-N 0 0 341.407 3.228 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)c2cnc(COC)s2)cc1 ZINC000285065555 455784669 /nfs/dbraw/zinc/78/46/69/455784669.db2.gz JPTYAVVWJXGKED-UHFFFAOYSA-N 0 0 333.457 3.066 20 10 EGCDRN Cc1cc(C(=O)N2CCC[C@@]23CCOC3=O)c(C)n1-c1ccccc1 ZINC000186526673 455786719 /nfs/dbraw/zinc/78/67/19/455786719.db2.gz QUVTWSNFIMUKOO-FQEVSTJZSA-N 0 0 338.407 3.016 20 10 EGCDRN CC(C)O[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000293515299 455788531 /nfs/dbraw/zinc/78/85/31/455788531.db2.gz PUBZUELCVKUWHQ-IFXJQAMLSA-N 0 0 343.423 3.311 20 10 EGCDRN CN1CCCc2cc(CN[C@H](c3cccs3)c3nc[nH]n3)ccc21 ZINC000293611549 455792917 /nfs/dbraw/zinc/79/29/17/455792917.db2.gz 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/nfs/dbraw/zinc/81/76/90/455817690.db2.gz UPUAKBPYJHIZBW-SJKOYZFVSA-N 0 0 332.375 3.107 20 10 EGCDRN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c(O)c1 ZINC000294640088 455823005 /nfs/dbraw/zinc/82/30/05/455823005.db2.gz GFJFYFLZEXCJNI-HNNXBMFYSA-N 0 0 347.480 3.404 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000285327473 455823324 /nfs/dbraw/zinc/82/33/24/455823324.db2.gz XGSWJQGKNJLUDB-GXTWGEPZSA-N 0 0 326.780 3.097 20 10 EGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccsn2)cc1 ZINC000294723466 455824667 /nfs/dbraw/zinc/82/46/67/455824667.db2.gz MSLBCWXKEAZMGS-MRXNPFEDSA-N 0 0 345.468 3.031 20 10 EGCDRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccccc1O ZINC000294769851 455826005 /nfs/dbraw/zinc/82/60/05/455826005.db2.gz BTIJZPZXAOBRLZ-ZDUSSCGKSA-N 0 0 336.432 3.044 20 10 EGCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000294769090 455826586 /nfs/dbraw/zinc/82/65/86/455826586.db2.gz FTQUPRMLJUNFJP-UYAOXDASSA-N 0 0 344.499 3.338 20 10 EGCDRN CCN(C(=O)CSc1ncc(C(=O)OC)s1)c1ccccc1 ZINC000295366695 455847045 /nfs/dbraw/zinc/84/70/45/455847045.db2.gz RZTKVXOMYXZLGR-UHFFFAOYSA-N 0 0 336.438 3.075 20 10 EGCDRN Cc1nn(C)c(Cl)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269640205 455851458 /nfs/dbraw/zinc/85/14/58/455851458.db2.gz NXYOVRAVJCGIJM-HNNXBMFYSA-N 0 0 349.862 3.269 20 10 EGCDRN FC(F)Oc1ccc(NCc2ccc(N3CCOCC3)cc2)nc1 ZINC000269980732 455855242 /nfs/dbraw/zinc/85/52/42/455855242.db2.gz QYLUSELNMRIMPZ-UHFFFAOYSA-N 0 0 335.354 3.132 20 10 EGCDRN CCN(Cc1cccc(S(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 ZINC000295642825 455856360 /nfs/dbraw/zinc/85/63/60/455856360.db2.gz DZHPBUAPUCTZDX-UHFFFAOYSA-N 0 0 349.452 3.134 20 10 EGCDRN CCSCc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000279474759 455865906 /nfs/dbraw/zinc/86/59/06/455865906.db2.gz NUUIWXDJFWVSKI-UHFFFAOYSA-N 0 0 331.437 3.323 20 10 EGCDRN CN(Cc1nncn1C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296035863 455867154 /nfs/dbraw/zinc/86/71/54/455867154.db2.gz NRAOMMNHKMNVCO-UHFFFAOYSA-N 0 0 341.484 3.145 20 10 EGCDRN COCc1cccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000187060136 455867528 /nfs/dbraw/zinc/86/75/28/455867528.db2.gz ONMYUQOPKTWKFA-UHFFFAOYSA-N 0 0 335.425 3.265 20 10 EGCDRN CO[C@H]1CCC[C@@H](CC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000279664164 455870025 /nfs/dbraw/zinc/87/00/25/455870025.db2.gz GTNAXXWCXYCMBB-QAPCUYQASA-N 0 0 330.472 3.281 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2c1OCC2(C)C ZINC000279875732 455875577 /nfs/dbraw/zinc/87/55/77/455875577.db2.gz YHKYULNRDJZEQM-LBPRGKRZSA-N 0 0 341.407 3.129 20 10 EGCDRN C[C@H]1CN(c2ccc(CNC(=O)NC3(C)CCC3)cc2F)C[C@H](C)O1 ZINC000270120834 455882435 /nfs/dbraw/zinc/88/24/35/455882435.db2.gz NRCREYHXVJTLGT-KBPBESRZSA-N 0 0 349.450 3.181 20 10 EGCDRN Cc1cc(C(=O)NCCc2scnc2C)c(C)n1-c1ccccn1 ZINC000296227299 455885575 /nfs/dbraw/zinc/88/55/75/455885575.db2.gz WRJVUYLPXVJWIC-UHFFFAOYSA-N 0 0 340.452 3.227 20 10 EGCDRN CC[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000285730529 455905542 /nfs/dbraw/zinc/90/55/42/455905542.db2.gz QPFWIAWGLUYFEH-RISCZKNCSA-N 0 0 334.357 3.456 20 10 EGCDRN CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000296326628 455909683 /nfs/dbraw/zinc/90/96/83/455909683.db2.gz QMHRSXZVWWLFQF-UFYHVXEKSA-N 0 0 349.402 3.047 20 10 EGCDRN CCN(CC)c1ccc(CNc2nnc(-c3cnn(C)c3)o2)cc1F ZINC000195021998 455913126 /nfs/dbraw/zinc/91/31/26/455913126.db2.gz MJWHIUROLFDOLS-UHFFFAOYSA-N 0 0 344.394 3.068 20 10 EGCDRN O=C(NCc1ccc(O)c(O)c1)C1(c2ccccc2F)CCCC1 ZINC000272344246 455920547 /nfs/dbraw/zinc/92/05/47/455920547.db2.gz PGMYUXLJSVKCNE-UHFFFAOYSA-N 0 0 329.371 3.365 20 10 EGCDRN C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000187713108 455943331 /nfs/dbraw/zinc/94/33/31/455943331.db2.gz VVXDRHBJODCJAB-BLLLJJGKSA-N 0 0 348.393 3.021 20 10 EGCDRN OC1CCN(c2ccc(CNc3nc4ccccc4[nH]3)cc2F)CC1 ZINC000270593704 455991202 /nfs/dbraw/zinc/99/12/02/455991202.db2.gz UAABVDVGANFHIS-UHFFFAOYSA-N 0 0 340.402 3.275 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCc2cccc(C)n2)c1 ZINC000287284260 456065527 /nfs/dbraw/zinc/06/55/27/456065527.db2.gz CYIBKRKIOCZLJK-CQSZACIVSA-N 0 0 328.412 3.166 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCOC[C@@H]1C ZINC000287732700 456076454 /nfs/dbraw/zinc/07/64/54/456076454.db2.gz CYCCFLJKCPBGIP-JKSUJKDBSA-N 0 0 334.460 3.377 20 10 EGCDRN CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287872686 456080645 /nfs/dbraw/zinc/08/06/45/456080645.db2.gz XZSCMMRQHGHRTC-STQMWFEESA-N 0 0 331.243 3.408 20 10 EGCDRN O=C(NCc1ccccc1O)NCc1c(F)cccc1N1CCCC1 ZINC000287911244 456081467 /nfs/dbraw/zinc/08/14/67/456081467.db2.gz VLNBMVTXOIITDR-UHFFFAOYSA-N 0 0 343.402 3.131 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)nc1N ZINC000287955021 456083381 /nfs/dbraw/zinc/08/33/81/456083381.db2.gz UPZDMINOMCJZHF-UHFFFAOYSA-N 0 0 340.427 3.084 20 10 EGCDRN CC1(C)CC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000288119407 456086996 /nfs/dbraw/zinc/08/69/96/456086996.db2.gz WGAUIRFNXFWSRA-NVXWUHKLSA-N 0 0 332.444 3.271 20 10 EGCDRN 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/nfs/dbraw/zinc/07/57/67/1321075767.db2.gz HFKBSUINNFRJFR-VDZJLULYSA-N 0 0 347.503 3.106 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NOCCC(F)(F)F ZINC000840352826 1321077606 /nfs/dbraw/zinc/07/76/06/1321077606.db2.gz IZNIPKBUNAULJX-GFCCVEGCSA-N 0 0 347.381 3.175 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CC(F)(F)C1 ZINC000840358715 1321078639 /nfs/dbraw/zinc/07/86/39/1321078639.db2.gz PUERPUXZMKTWSC-GFCCVEGCSA-N 0 0 325.403 3.089 20 10 EGCDRN Cc1ccoc1CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840379421 1321081871 /nfs/dbraw/zinc/08/18/71/1321081871.db2.gz MMNNCATXRPQOCT-HNNXBMFYSA-N 0 0 329.444 3.393 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H](C)O[C@H]1C ZINC000840438217 1321092792 /nfs/dbraw/zinc/09/27/92/1321092792.db2.gz ZJPMWZPUQNJXEI-ZOBUZTSGSA-N 0 0 333.476 3.098 20 10 EGCDRN COC1([C@@H](C)NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC000840455907 1321094443 /nfs/dbraw/zinc/09/44/43/1321094443.db2.gz HWMZUTPDJZXCCB-HZPDHXFCSA-N 0 0 347.503 3.249 20 10 EGCDRN CCC[C@H](CCO)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840478950 1321097422 /nfs/dbraw/zinc/09/74/22/1321097422.db2.gz KMYDDGOJPXLNMH-IAGOWNOFSA-N 0 0 349.519 3.090 20 10 EGCDRN COc1cccc([C@@H]2C[C@H]2CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000840551736 1321106879 /nfs/dbraw/zinc/10/68/79/1321106879.db2.gz QCRVMABSPKRRLY-LKEBIXNSSA-N 0 0 339.391 3.040 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)c1ccccn1 ZINC000840554391 1321107397 /nfs/dbraw/zinc/10/73/97/1321107397.db2.gz HFGSAJRRPRBMPE-JKSUJKDBSA-N 0 0 325.456 3.307 20 10 EGCDRN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccn(C)n1 ZINC000840817098 1321156192 /nfs/dbraw/zinc/15/61/92/1321156192.db2.gz RDMJVLYJGBHCEH-KBPBESRZSA-N 0 0 348.878 3.322 20 10 EGCDRN CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000840824954 1321156997 /nfs/dbraw/zinc/15/69/97/1321156997.db2.gz BSBPMOFVAHJYRI-NOZJJQNGSA-N 0 0 331.243 3.266 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(OCC(=O)N(C)C)c1 ZINC000840925718 1321178750 /nfs/dbraw/zinc/17/87/50/1321178750.db2.gz ICPUEZRSOWGXAL-UHFFFAOYSA-N 0 0 341.455 3.140 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(NS(C)(=O)=O)c1 ZINC000840925740 1321179031 /nfs/dbraw/zinc/17/90/31/1321179031.db2.gz IGFIAOIBZOOZCX-UHFFFAOYSA-N 0 0 333.457 3.045 20 10 EGCDRN O=S1(=O)CCN(Cc2ccc3ccccc3c2O)CCC12CCC2 ZINC000840970883 1321190422 /nfs/dbraw/zinc/19/04/22/1321190422.db2.gz ZDUJGCIIQVGWDT-UHFFFAOYSA-N 0 0 345.464 3.089 20 10 EGCDRN CCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C(C)C)cc1 ZINC000841003619 1321198056 /nfs/dbraw/zinc/19/80/56/1321198056.db2.gz XPZAHZMBAJONRQ-GOSISDBHSA-N 0 0 339.439 3.283 20 10 EGCDRN CCCN(C(=O)C(=O)Nc1ccc(N)cc1)[C@@H]1CCc2ccccc21 ZINC000841026044 1321202712 /nfs/dbraw/zinc/20/27/12/1321202712.db2.gz QYSPMTYBGNRMIF-GOSISDBHSA-N 0 0 337.423 3.133 20 10 EGCDRN Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccc(N)cc2)o1 ZINC000841107549 1321219231 /nfs/dbraw/zinc/21/92/31/1321219231.db2.gz SAHKTVGLSZNWKX-MRXNPFEDSA-N 0 0 341.411 3.253 20 10 EGCDRN CCN1C[C@@H](CN(C)C(=O)Nc2ccc(N)cc2)Oc2ccccc21 ZINC000841301826 1321250071 /nfs/dbraw/zinc/25/00/71/1321250071.db2.gz DYLTYNRCKWKJCQ-MRXNPFEDSA-N 0 0 340.427 3.020 20 10 EGCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2ccc(C)cc2F)cn1 ZINC000841325708 1321257221 /nfs/dbraw/zinc/25/72/21/1321257221.db2.gz LEFOCGNQMZLBBD-UHFFFAOYSA-N 0 0 341.390 3.028 20 10 EGCDRN Cc1ccc(OCCCCNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841697818 1321299082 /nfs/dbraw/zinc/29/90/82/1321299082.db2.gz GDUCHPODGJWMQL-UHFFFAOYSA-N 0 0 341.455 3.278 20 10 EGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000841732116 1321303854 /nfs/dbraw/zinc/30/38/54/1321303854.db2.gz QSTHHJKJHMIYEC-MRXNPFEDSA-N 0 0 345.830 3.288 20 10 EGCDRN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841750467 1321306896 /nfs/dbraw/zinc/30/68/96/1321306896.db2.gz XRPPBIFUZFYUQZ-GFCCVEGCSA-N 0 0 336.819 3.418 20 10 EGCDRN Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Cl)cc3[O-])CC2)n[nH]1 ZINC000841753984 1321307387 /nfs/dbraw/zinc/30/73/87/1321307387.db2.gz YGNMYWBFUOVTOQ-LBPRGKRZSA-N 0 0 334.851 3.397 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000841765006 1321308710 /nfs/dbraw/zinc/30/87/10/1321308710.db2.gz MGWXESPROJDJDG-ZJUUUORDSA-N 0 0 338.320 3.401 20 10 EGCDRN CC[C@@](C)(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000841794065 1321313444 /nfs/dbraw/zinc/31/34/44/1321313444.db2.gz SRVNXEGISVDSMQ-SFHVURJKSA-N 0 0 349.431 3.176 20 10 EGCDRN CC[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841810111 1321316297 /nfs/dbraw/zinc/31/62/97/1321316297.db2.gz FKRFJZQQYWPCJE-OAHLLOKOSA-N 0 0 349.431 3.318 20 10 EGCDRN O=C([O-])C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000841812795 1321317308 /nfs/dbraw/zinc/31/73/08/1321317308.db2.gz PXGUCQZZQMYGJS-CQSZACIVSA-N 0 0 344.377 3.420 20 10 EGCDRN COc1ccc([C@H]2CCN(C(=O)NCCc3ccc(N)cc3)C2)cc1 ZINC000841956343 1321331992 /nfs/dbraw/zinc/33/19/92/1321331992.db2.gz CROPJBNTWUSTBE-KRWDZBQOSA-N 0 0 339.439 3.019 20 10 EGCDRN CCCC[C@H](C[NH3+])NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841959483 1321332194 /nfs/dbraw/zinc/33/21/94/1321332194.db2.gz QJDMECAZKLELJJ-LLVKDONJSA-N 0 0 334.247 3.016 20 10 EGCDRN CC(C)C[C@@H]1C[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842259915 1321366388 /nfs/dbraw/zinc/36/63/88/1321366388.db2.gz YQWBWYFRDJQTQD-BXUZGUMPSA-N 0 0 336.819 3.244 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)[C@@H](C)N(C2CCC2)C1=O ZINC000842264754 1321366931 /nfs/dbraw/zinc/36/69/31/1321366931.db2.gz MTFSJAJMMLVXOO-HUUCEWRRSA-N 0 0 343.471 3.197 20 10 EGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000842899242 1321447615 /nfs/dbraw/zinc/44/76/15/1321447615.db2.gz CSIKCIAHGPZCSB-CHWSQXEVSA-N 0 0 343.402 3.473 20 10 EGCDRN Cn1c2ccc(OC(=O)CCc3ccncn3)cc2c2c1CCCC2 ZINC000843020312 1321457812 /nfs/dbraw/zinc/45/78/12/1321457812.db2.gz DXQPORNUKIAFMW-UHFFFAOYSA-N 0 0 335.407 3.385 20 10 EGCDRN CCC[N@H+](Cc1cc(Br)ccc1O)C1CC[NH2+]CC1 ZINC000843045000 1321460362 /nfs/dbraw/zinc/46/03/62/1321460362.db2.gz PNLYIXRUFXDULZ-UHFFFAOYSA-N 0 0 327.266 3.119 20 10 EGCDRN Nc1ccc(Cc2nc(-c3nc([C@H]4CCCOC4)no3)cs2)cc1 ZINC000843222311 1321490735 /nfs/dbraw/zinc/49/07/35/1321490735.db2.gz PQTAGYAUACKSIA-LBPRGKRZSA-N 0 0 342.424 3.260 20 10 EGCDRN Oc1ccc(Br)cc1CN1CCOC[C@@H]1C1CCC1 ZINC000843428500 1321517976 /nfs/dbraw/zinc/51/79/76/1321517976.db2.gz JTUYUKVXHJXBOP-CQSZACIVSA-N 0 0 326.234 3.156 20 10 EGCDRN CC[C@H](NCc1cc(Cl)cc(OC)c1O)C(=O)OC(C)(C)C ZINC000843430622 1321518682 /nfs/dbraw/zinc/51/86/82/1321518682.db2.gz BPZVMIWVCZQQKQ-LBPRGKRZSA-N 0 0 329.824 3.264 20 10 EGCDRN O=C(/C=C/C1CCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000843531957 1321525978 /nfs/dbraw/zinc/52/59/78/1321525978.db2.gz NXPQUFPKDFEJCP-SOFGYWHQSA-N 0 0 332.419 3.025 20 10 EGCDRN COc1ccc(CNC(=O)c2ccc3c(c2)CC(C)(C)O3)c(O)c1 ZINC000843874680 1321554990 /nfs/dbraw/zinc/55/49/90/1321554990.db2.gz PTAOMOUALVGJEM-UHFFFAOYSA-N 0 0 327.380 3.044 20 10 EGCDRN CC(C)(C)OC(=O)NCCCCCCNC(=O)C1=CC(=O)CS1 ZINC000844149487 1321574109 /nfs/dbraw/zinc/57/41/09/1321574109.db2.gz QDHRKQSXABDQOG-UHFFFAOYSA-N 0 0 342.461 3.269 20 10 EGCDRN Cc1csc([C@@H](C)NC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000844954158 1321661203 /nfs/dbraw/zinc/66/12/03/1321661203.db2.gz SFPOSBWTSZZMNA-SECBINFHSA-N 0 0 325.821 3.371 20 10 EGCDRN O=C(NCCc1ccc2c(c1)CCO2)NCc1cc(Cl)ccc1O ZINC000844972193 1321664688 /nfs/dbraw/zinc/66/46/88/1321664688.db2.gz CJEXLUZTFSADMX-UHFFFAOYSA-N 0 0 346.814 3.022 20 10 EGCDRN Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845002398 1321667425 /nfs/dbraw/zinc/66/74/25/1321667425.db2.gz JNJBJLBCGSPSHO-SECBINFHSA-N 0 0 337.807 3.081 20 10 EGCDRN CC(C)O[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000845046560 1321671408 /nfs/dbraw/zinc/67/14/08/1321671408.db2.gz PDHIVWXOSVWPGE-ZDUSSCGKSA-N 0 0 343.518 3.224 20 10 EGCDRN Cc1cccc(CCCNC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000845189328 1321682098 /nfs/dbraw/zinc/68/20/98/1321682098.db2.gz KEVRFNXGNMHWEK-UHFFFAOYSA-N 0 0 333.819 3.181 20 10 EGCDRN C[C@@H]1CCCc2ncc(C(=O)NCc3ccc(N4CCCC4)cc3)n21 ZINC000845192670 1321682202 /nfs/dbraw/zinc/68/22/02/1321682202.db2.gz OPESWYZCKQBLPP-OAHLLOKOSA-N 0 0 338.455 3.311 20 10 EGCDRN C[C@@]1(CNC(=O)NCc2cc(Cl)ccc2O)CC1(Cl)Cl ZINC000845230191 1321686987 /nfs/dbraw/zinc/68/69/87/1321686987.db2.gz GZPOUVWPIFIJOG-LBPRGKRZSA-N 0 0 337.634 3.429 20 10 EGCDRN CSc1ccnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000845474868 1321710664 /nfs/dbraw/zinc/71/06/64/1321710664.db2.gz PVLJQXONCYSUCI-ZDUSSCGKSA-N 0 0 330.457 3.208 20 10 EGCDRN C[C@@H]1CCCc2ncc(C(=O)NCCCSc3nccs3)n21 ZINC000845505204 1321714041 /nfs/dbraw/zinc/71/40/41/1321714041.db2.gz GPARDQVZBUFPMX-LLVKDONJSA-N 0 0 336.486 3.149 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)COCC1CC1 ZINC000845577643 1321719805 /nfs/dbraw/zinc/71/98/05/1321719805.db2.gz PCLCDMKRQLXQHU-OAHLLOKOSA-N 0 0 333.476 3.099 20 10 EGCDRN O=S(=O)(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1c1ccccc1 ZINC000845995950 1321761982 /nfs/dbraw/zinc/76/19/82/1321761982.db2.gz KAJPMRKKRUHGHZ-GOEBONIOSA-N 0 0 337.828 3.021 20 10 EGCDRN COc1cccc([C@H](C)Nc2cccc(N3CCNC3=O)c2C)c1O ZINC000846168076 1321773593 /nfs/dbraw/zinc/77/35/93/1321773593.db2.gz QQPKOHNYXBOYAM-ZDUSSCGKSA-N 0 0 341.411 3.412 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000846205677 1321775524 /nfs/dbraw/zinc/77/55/24/1321775524.db2.gz JQBOSQROTBKTKU-ZJUUUORDSA-N 0 0 343.254 3.361 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1(c2ccccc2F)CCC1 ZINC000846291965 1321782389 /nfs/dbraw/zinc/78/23/89/1321782389.db2.gz WIVLTMWFABEJBM-CLFYSBASSA-N 0 0 341.382 3.488 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C/c2ccc(O)cc2)cc1 ZINC000846441617 1321786740 /nfs/dbraw/zinc/78/67/40/1321786740.db2.gz AVZKYRZFQSMVNR-AWNIVKPZSA-N 0 0 340.423 3.009 20 10 EGCDRN CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000846654894 1321799379 /nfs/dbraw/zinc/79/93/79/1321799379.db2.gz JTCBIPQYPTZZMK-UHFFFAOYSA-N 0 0 342.461 3.267 20 10 EGCDRN C[C@@H](Cc1ccccn1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 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ZINC000278480117 455837473 /nfs/dbraw/zinc/83/74/73/455837473.db2.gz JDOIRHJHBRLIQZ-UHFFFAOYSA-N 0 0 337.401 3.179 20 10 EGCDRN COc1c([O-])c(C[NH2+]CCc2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000278531929 455838350 /nfs/dbraw/zinc/83/83/50/455838350.db2.gz VIEXIYWDROCZHN-UHFFFAOYSA-N 0 0 334.347 3.089 20 10 EGCDRN CN(C)c1ccc(CNCc2noc(-c3cccs3)n2)cc1F ZINC000295103091 455838918 /nfs/dbraw/zinc/83/89/18/455838918.db2.gz VGABQWAVZUNTCY-UHFFFAOYSA-N 0 0 332.404 3.293 20 10 EGCDRN COc1c([O-])c(C[NH2+][C@@H](C)CCc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000278917447 455852156 /nfs/dbraw/zinc/85/21/56/455852156.db2.gz UHGPVQDGKYMJOF-LBPRGKRZSA-N 0 0 346.383 3.126 20 10 EGCDRN CCSc1ccc(CC(=O)NCc2cccc(OC)c2O)cc1 ZINC000269760964 455853225 /nfs/dbraw/zinc/85/32/25/455853225.db2.gz BGNFDMQYAFEDDH-UHFFFAOYSA-N 0 0 331.437 3.372 20 10 EGCDRN CCn1ccnc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000279167505 455858911 /nfs/dbraw/zinc/85/89/11/455858911.db2.gz GSHHRLNAKFKIMK-UHFFFAOYSA-N 0 0 326.444 3.166 20 10 EGCDRN Cc1cc(C(=O)N(C)C(C)(C)C(N)=O)c(C)n1-c1cccc(Cl)c1 ZINC000295956436 455864662 /nfs/dbraw/zinc/86/46/62/455864662.db2.gz MOKHTESYYBXBPE-UHFFFAOYSA-N 0 0 347.846 3.083 20 10 EGCDRN Cc1cc(C(=O)N(C)CCCCCO)c(C)n1-c1ccc(F)cc1 ZINC000279469718 455865173 /nfs/dbraw/zinc/86/51/73/455865173.db2.gz GGXMBQTYXFJDTB-UHFFFAOYSA-N 0 0 332.419 3.468 20 10 EGCDRN O=C(/C=C\c1cnc2ccccc2n1)N1CCCc2cccc(O)c21 ZINC000255518860 455869473 /nfs/dbraw/zinc/86/94/73/455869473.db2.gz ADSFCWMMUQCJDQ-KHPPLWFESA-N 0 0 331.375 3.328 20 10 EGCDRN CO[C@H]1CCC[C@H](CC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000279664168 455869949 /nfs/dbraw/zinc/86/99/49/455869949.db2.gz GTNAXXWCXYCMBB-YJBOKZPZSA-N 0 0 330.472 3.281 20 10 EGCDRN COC(=O)[C@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc21 ZINC000255863377 455874059 /nfs/dbraw/zinc/87/40/59/455874059.db2.gz QADJDPJSPIGOLM-LEJCZOIISA-N 0 0 342.782 3.052 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000279869454 455875796 /nfs/dbraw/zinc/87/57/96/455875796.db2.gz 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Cc1cc(C(=O)NCC2CCSCC2)c(C)n1-c1ccccn1 ZINC000265048636 455299642 /nfs/dbraw/zinc/29/96/42/455299642.db2.gz ZXIUSYUUDLMTPN-UHFFFAOYSA-N 0 0 329.469 3.362 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000184032120 455348537 /nfs/dbraw/zinc/34/85/37/455348537.db2.gz KEIVVFKGWQPKJH-PKOBYXMFSA-N 0 0 343.471 3.044 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000184032096 455348613 /nfs/dbraw/zinc/34/86/13/455348613.db2.gz KEIVVFKGWQPKJH-IEBWSBKVSA-N 0 0 343.471 3.044 20 10 EGCDRN CCCc1csc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000190985889 455420004 /nfs/dbraw/zinc/42/00/04/455420004.db2.gz DWJWHFYHZQRCDK-JTQLQIEISA-N 0 0 335.429 3.260 20 10 EGCDRN CO[C@@H](C)c1noc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000175051245 455421318 /nfs/dbraw/zinc/42/13/18/455421318.db2.gz WCHZSPSTRVKTDU-HNNXBMFYSA-N 0 0 344.459 3.399 20 10 EGCDRN CO[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000266549450 455430456 /nfs/dbraw/zinc/43/04/56/455430456.db2.gz 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/nfs/dbraw/zinc/55/16/90/455551690.db2.gz ROSJWGCIVCCEHR-RISCZKNCSA-N 0 0 333.409 3.070 20 10 EGCDRN C[C@H]1CCS(=O)(=O)CCN1Cc1cc(-c2ccccc2)ccc1O ZINC000277643128 455622173 /nfs/dbraw/zinc/62/21/73/455622173.db2.gz YOMDWOWQLCRZIE-HNNXBMFYSA-N 0 0 345.464 3.068 20 10 EGCDRN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cccc(O)c1O ZINC000185824323 455628605 /nfs/dbraw/zinc/62/86/05/455628605.db2.gz GQKSNGRKTJZNNK-KRWDZBQOSA-N 0 0 347.386 3.069 20 10 EGCDRN C[C@H]1CCCN(c2cc(C(=O)N(C)Cc3ccccc3O)ccn2)C1 ZINC000292336627 455632850 /nfs/dbraw/zinc/63/28/50/455632850.db2.gz BDIPQUAEHNFGGA-HNNXBMFYSA-N 0 0 339.439 3.296 20 10 EGCDRN CC(C)[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000271475847 455652277 /nfs/dbraw/zinc/65/22/77/455652277.db2.gz HPFFGFOBGSUVOF-WMZOPIPTSA-N 0 0 333.476 3.098 20 10 EGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000186086735 455690595 /nfs/dbraw/zinc/69/05/95/455690595.db2.gz RZXNZVNSVMAQQY-TZIWHRDSSA-N 0 0 344.499 3.194 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000186195589 455713807 /nfs/dbraw/zinc/71/38/07/455713807.db2.gz OCUASCBSOQCXIN-KDOFPFPSSA-N 0 0 342.414 3.373 20 10 EGCDRN COc1ccc(-n2c(C)cc(C(=O)NCC(C)(C)CCO)c2C)cc1 ZINC000268870242 455717275 /nfs/dbraw/zinc/71/72/75/455717275.db2.gz PYZYZEJQBCLKMY-UHFFFAOYSA-N 0 0 344.455 3.241 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](O)C23CCCC3)cc1 ZINC000292899160 455765730 /nfs/dbraw/zinc/76/57/30/455765730.db2.gz BSWADTYTGBJJAA-SFHVURJKSA-N 0 0 345.487 3.122 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)c2ncoc2C2CC2)C2CC2)cc1 ZINC000292932101 455766458 /nfs/dbraw/zinc/76/64/58/455766458.db2.gz ZJYOAGODXJDJBQ-UHFFFAOYSA-N 0 0 325.412 3.423 20 10 EGCDRN Cc1ccccc1C1(C(=O)N(C)Cc2ccccc2O)CCOCC1 ZINC000269092547 455787658 /nfs/dbraw/zinc/78/76/58/455787658.db2.gz HRQWPYCMZATCHR-UHFFFAOYSA-N 0 0 339.435 3.407 20 10 EGCDRN CCOCc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000193946395 455788154 /nfs/dbraw/zinc/78/81/54/455788154.db2.gz CAQUNQZTMWRUBZ-ZDUSSCGKSA-N 0 0 344.411 3.387 20 10 EGCDRN COc1cc(O)c(CNc2ccc(OCC(C)(C)O)cc2)cc1OC ZINC000271911269 455798889 /nfs/dbraw/zinc/79/88/89/455798889.db2.gz MMKDOYURQNRJAH-UHFFFAOYSA-N 0 0 347.411 3.171 20 10 EGCDRN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c(O)c1 ZINC000294640093 455823093 /nfs/dbraw/zinc/82/30/93/455823093.db2.gz GFJFYFLZEXCJNI-OAHLLOKOSA-N 0 0 347.480 3.404 20 10 EGCDRN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(O)c1 ZINC000294915755 455831838 /nfs/dbraw/zinc/83/18/38/455831838.db2.gz YIVWTUFIYWPKOK-HNNXBMFYSA-N 0 0 348.487 3.295 20 10 EGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C(C)=O)cc2)cc1 ZINC000295090885 455838880 /nfs/dbraw/zinc/83/88/80/455838880.db2.gz ZEQKGZUMJOUOTA-UHFFFAOYSA-N 0 0 327.380 3.077 20 10 EGCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)NCCCO)cc1 ZINC000269485939 455848246 /nfs/dbraw/zinc/84/82/46/455848246.db2.gz RHJSIGJQUZOLJY-QZQOTICOSA-N 0 0 326.400 3.280 20 10 EGCDRN CCNC(=O)N1CCc2ccc(NCc3cc(F)ccc3O)cc21 ZINC000295435274 455849055 /nfs/dbraw/zinc/84/90/55/455849055.db2.gz PAUTWFXJVXKVEG-UHFFFAOYSA-N 0 0 329.375 3.235 20 10 EGCDRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NCc2ccccc2O)C1 ZINC000269838296 455853960 /nfs/dbraw/zinc/85/39/60/455853960.db2.gz UQWOKAPUMQVXKV-IBGZPJMESA-N 0 0 348.443 3.046 20 10 EGCDRN COCCN(CCCC1CCOCC1)c1ccc(OC)c(OC)c1 ZINC000279063898 455857433 /nfs/dbraw/zinc/85/74/33/455857433.db2.gz IYANKKSRDQPSQQ-UHFFFAOYSA-N 0 0 337.460 3.363 20 10 EGCDRN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000255162430 455862184 /nfs/dbraw/zinc/86/21/84/455862184.db2.gz OLWNCTHFVZUBMM-WDZFZDKYSA-N 0 0 334.335 3.214 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)N[C@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000187057407 455866136 /nfs/dbraw/zinc/86/61/36/455866136.db2.gz XVCHPAHZTMNBQZ-OALUTQOASA-N 0 0 345.487 3.026 20 10 EGCDRN Cc1cnccc1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000270073839 455871740 /nfs/dbraw/zinc/87/17/40/455871740.db2.gz IOJIXYQQSDVHHK-UHFFFAOYSA-N 0 0 338.455 3.032 20 10 EGCDRN Cc1nn(C)c(Cl)c1/C=C\C(=O)N(C)c1ccc(Cl)cn1 ZINC000255671592 455872191 /nfs/dbraw/zinc/87/21/91/455872191.db2.gz BABYSEKTSZETSG-ALCCZGGFSA-N 0 0 325.199 3.107 20 10 EGCDRN CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2ccccc2O)c1 ZINC000285609957 455882040 /nfs/dbraw/zinc/88/20/40/455882040.db2.gz QAYMXLNGRUGGMR-CYBMUJFWSA-N 0 0 334.441 3.081 20 10 EGCDRN CC(C)[C@@H](O)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000285824320 455923701 /nfs/dbraw/zinc/92/37/01/455923701.db2.gz NUYUJXOORGYRAG-DNVCBOLYSA-N 0 0 327.424 3.499 20 10 EGCDRN Cc1noc(C)c1C(C)(C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000285832459 455925693 /nfs/dbraw/zinc/92/56/93/455925693.db2.gz WZBRLPIZVNIJGI-UHFFFAOYSA-N 0 0 330.432 3.092 20 10 EGCDRN CC[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C)cc1O ZINC000280278225 455934839 /nfs/dbraw/zinc/93/48/39/455934839.db2.gz YKIBCLDBKLKZFJ-ZIAGYGMSSA-N 0 0 344.377 3.295 20 10 EGCDRN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187749101 455948009 /nfs/dbraw/zinc/94/80/09/455948009.db2.gz VRIYQFLGYUWVEC-QIWSZBSSSA-N 0 0 331.428 3.401 20 10 EGCDRN CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286020197 455961881 /nfs/dbraw/zinc/96/18/81/455961881.db2.gz IQGZAQBTGCJLKO-BPQIPLTHSA-N 0 0 333.403 3.057 20 10 EGCDRN CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)cc1 ZINC000188090969 455995493 /nfs/dbraw/zinc/99/54/93/455995493.db2.gz RRPRZFWLCCWWQX-INIZCTEOSA-N 0 0 327.380 3.474 20 10 EGCDRN C[C@H]1CC(=O)CC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270648984 456004206 /nfs/dbraw/zinc/00/42/06/456004206.db2.gz AZZZSQCAOFZJPP-LIRRHRJNSA-N 0 0 328.456 3.249 20 10 EGCDRN COc1cc(OC)cc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)c1 ZINC000188229580 456025877 /nfs/dbraw/zinc/02/58/77/456025877.db2.gz KTMLEKDIVGNRIP-CMDGGOBGSA-N 0 0 349.390 3.323 20 10 EGCDRN CCOC1CC2(C1)CCN(c1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000286374142 456035510 /nfs/dbraw/zinc/03/55/10/456035510.db2.gz MTZYXKACZBZIOV-UHFFFAOYSA-N 0 0 336.388 3.007 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Cl)nn1 ZINC000280769764 456048161 /nfs/dbraw/zinc/04/81/61/456048161.db2.gz MVQWOIMFWRQXKS-UHFFFAOYSA-N 0 0 344.846 3.393 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCOC[C@H]2C)cc1 ZINC000286677007 456051017 /nfs/dbraw/zinc/05/10/17/456051017.db2.gz PULDMYOTIFLNDH-NVXWUHKLSA-N 0 0 333.476 3.005 20 10 EGCDRN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc(Cl)c1[O-] ZINC000287019512 456059710 /nfs/dbraw/zinc/05/97/10/456059710.db2.gz LBVJHEXGQWHBHA-CYBMUJFWSA-N 0 0 331.865 3.054 20 10 EGCDRN CC(C)Cn1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cn1 ZINC000272760077 456063470 /nfs/dbraw/zinc/06/34/70/456063470.db2.gz AESYXHWCBSDTFM-UHFFFAOYSA-N 0 0 343.431 3.036 20 10 EGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(=O)n2ccsc2n1 ZINC000270904481 456064066 /nfs/dbraw/zinc/06/40/66/456064066.db2.gz RRBXBQJVMHWYMY-UHFFFAOYSA-N 0 0 341.436 3.108 20 10 EGCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc2nonc21 ZINC000296916881 456066350 /nfs/dbraw/zinc/06/63/50/456066350.db2.gz YXZSTWMMWRCCHC-UHFFFAOYSA-N 0 0 337.383 3.145 20 10 EGCDRN CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1cccc(Cl)c1[O-] ZINC000287590538 456073707 /nfs/dbraw/zinc/07/37/07/456073707.db2.gz HZFSCCNSERVWRX-CJNGLKHVSA-N 0 0 326.868 3.055 20 10 EGCDRN CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000287730544 456076221 /nfs/dbraw/zinc/07/62/21/456076221.db2.gz YJUKRRCZTXOUCZ-SGTLLEGYSA-N 0 0 330.384 3.247 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000288671331 456102568 /nfs/dbraw/zinc/10/25/68/456102568.db2.gz WKWAKOREZLYSIO-BBRMVZONSA-N 0 0 340.206 3.283 20 10 EGCDRN CCNC(=O)COc1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000297120891 456124721 /nfs/dbraw/zinc/12/47/21/456124721.db2.gz YNJOFZRKVQXHHU-INIZCTEOSA-N 0 0 326.396 3.007 20 10 EGCDRN CO[C@@H](C)C(=O)Nc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297147654 456132351 /nfs/dbraw/zinc/13/23/51/456132351.db2.gz ZTUXLMWZAJSSDZ-LRDDRELGSA-N 0 0 326.396 3.465 20 10 EGCDRN CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cccc(C)c2O)c1 ZINC000289644384 456134682 /nfs/dbraw/zinc/13/46/82/456134682.db2.gz XTBSRZSRCICSQX-CQSZACIVSA-N 0 0 348.468 3.390 20 10 EGCDRN Cc1cc(/C=C/C(=O)N2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccccc1 ZINC000273006878 456142206 /nfs/dbraw/zinc/14/22/06/456142206.db2.gz PJAOFQPELLEBAD-NYPDKFTISA-N 0 0 338.451 3.337 20 10 EGCDRN CC(C)[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc2c(c1)OCCO2 ZINC000236617425 456160046 /nfs/dbraw/zinc/16/00/46/456160046.db2.gz OZFVIHABNLBQRD-HXUWFJFHSA-N 0 0 340.423 3.096 20 10 EGCDRN CCn1ccnc1[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000281197886 456162148 /nfs/dbraw/zinc/16/21/48/456162148.db2.gz SOXMVEJVXCMGCE-CQSZACIVSA-N 0 0 329.400 3.065 20 10 EGCDRN CNC(=O)COc1ccc(N[C@H](C)c2ccc(F)cc2O)c(C)c1 ZINC000281205684 456164819 /nfs/dbraw/zinc/16/48/19/456164819.db2.gz SHLXJRFMMFQQKW-GFCCVEGCSA-N 0 0 332.375 3.138 20 10 EGCDRN CCC1(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000297261355 456165326 /nfs/dbraw/zinc/16/53/26/456165326.db2.gz FDCSWHSTFALNSO-OKILXGFUSA-N 0 0 349.450 3.181 20 10 EGCDRN C[C@@H]1C[C@H](CCNC(=O)NCc2ccc3c(c2)CCCN3C)CCO1 ZINC000273068037 456167216 /nfs/dbraw/zinc/16/72/16/456167216.db2.gz ISUAUYAXRFAVNG-HZPDHXFCSA-N 0 0 345.487 3.073 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCO[C@H](C)C2)cc1F ZINC000271215973 456177409 /nfs/dbraw/zinc/17/74/09/456177409.db2.gz FCLGKANCLSBFFN-UKRRQHHQSA-N 0 0 337.439 3.039 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](OC)c2ccccc2)c1 ZINC000273427666 456230472 /nfs/dbraw/zinc/23/04/72/456230472.db2.gz UTRPYKYVEFKUAZ-ACJLOTCBSA-N 0 0 329.396 3.217 20 10 EGCDRN CCOCCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000273501093 456234768 /nfs/dbraw/zinc/23/47/68/456234768.db2.gz QFBKOJVWUPSNAI-AWEZNQCLSA-N 0 0 335.444 3.426 20 10 EGCDRN C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273517844 456236754 /nfs/dbraw/zinc/23/67/54/456236754.db2.gz SVBKDKWIGCBJMA-GXTWGEPZSA-N 0 0 336.388 3.027 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000273554474 456237315 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335.841 3.229 20 10 EGCDRN CON(C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000302989721 1296814131 /nfs/dbraw/zinc/81/41/31/1296814131.db2.gz JEDXENRHBBNRDZ-UHFFFAOYSA-N 0 0 337.217 3.490 20 10 EGCDRN Cc1cc(C(=O)NC[C@](C)(O)c2ccccc2)c(C)n1-c1ccccn1 ZINC000304122032 1296902713 /nfs/dbraw/zinc/90/27/13/1296902713.db2.gz RIDFETQKCRDYLA-NRFANRHFSA-N 0 0 349.434 3.127 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNc1nc(Cl)nc2c1cnn2C ZINC000872457127 1296966446 /nfs/dbraw/zinc/96/64/46/1296966446.db2.gz MWPNVKUDGABVHU-UHFFFAOYSA-N 0 0 330.823 3.003 20 10 EGCDRN Cc1ncsc1CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000391178710 1297640359 /nfs/dbraw/zinc/64/03/59/1297640359.db2.gz HYZSVZFEPSMTJL-UHFFFAOYSA-N 0 0 327.247 3.252 20 10 EGCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cccc(Br)c1[O-] ZINC000394365087 1297676426 /nfs/dbraw/zinc/67/64/26/1297676426.db2.gz NBMMJLBJXDJPIR-UQJZFXKTSA-N 0 0 338.245 3.010 20 10 EGCDRN COc1ccc(F)cc1[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405928 1298057791 /nfs/dbraw/zinc/05/77/91/1298057791.db2.gz GXUGDPYBPHREMS-LAUIRUGDSA-N 0 0 331.343 3.136 20 10 EGCDRN CCOc1cccc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588404574 1298058135 /nfs/dbraw/zinc/05/81/35/1298058135.db2.gz CJZHFMWFNKSHPB-CHOZFAJLSA-N 0 0 327.380 3.387 20 10 EGCDRN CO[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000588405822 1298058222 /nfs/dbraw/zinc/05/82/22/1298058222.db2.gz UJEHIALQMGUOOF-QLBOMPFWSA-N 0 0 347.798 3.268 20 10 EGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc(Cl)cc2c1OCC2 ZINC000588449328 1298066212 /nfs/dbraw/zinc/06/62/12/1298066212.db2.gz ADUGOPFFTRAHER-RQOWECAXSA-N 0 0 345.782 3.016 20 10 EGCDRN C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)c2c(O)cccc21 ZINC000588480169 1298070677 /nfs/dbraw/zinc/07/06/77/1298070677.db2.gz ZCCZNVNYHHPLFS-XYLWRLHESA-N 0 0 325.364 3.357 20 10 EGCDRN CO[C@@H](C[NH2+]Cc1ccc(Br)cc1O)C1CCCC1 ZINC000692952842 1298147639 /nfs/dbraw/zinc/14/76/39/1298147639.db2.gz YJAGMDWBNCOQIL-HNNXBMFYSA-N 0 0 328.250 3.450 20 10 EGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])n(C)n1 ZINC000708139402 1298236663 /nfs/dbraw/zinc/23/66/63/1298236663.db2.gz RDIYSSHGFHRBPQ-UHFFFAOYSA-N 0 0 344.640 3.140 20 10 EGCDRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708419689 1298240871 /nfs/dbraw/zinc/24/08/71/1298240871.db2.gz FEUVNSCSOFLJMQ-MJHDQNEOSA-N 0 0 342.386 3.063 20 10 EGCDRN CO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715803759 1298288821 /nfs/dbraw/zinc/28/88/21/1298288821.db2.gz KYKGTEIYOATAHK-GFCCVEGCSA-N 0 0 332.213 3.295 20 10 EGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCc1nccs1 ZINC000715817165 1298288982 /nfs/dbraw/zinc/28/89/82/1298288982.db2.gz DTKZGGLOLCHTDB-UHFFFAOYSA-N 0 0 345.237 3.473 20 10 EGCDRN C[C@@H](NC(=O)NC[C@H](C[C@H](C)O)c1ccccc1)c1ccccc1O ZINC000875377940 1298315754 /nfs/dbraw/zinc/31/57/54/1298315754.db2.gz ULLGUEFLRQKART-UXLLHSPISA-N 0 0 342.439 3.307 20 10 EGCDRN CO[C@@]1(C)C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1(C)C ZINC000745934885 1298502075 /nfs/dbraw/zinc/50/20/75/1298502075.db2.gz DDNGDCHEJVZYEO-XLIONFOSSA-N 0 0 346.471 3.274 20 10 EGCDRN Cc1cc(CNC(=O)N2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000875879623 1298507463 /nfs/dbraw/zinc/50/74/63/1298507463.db2.gz AKRQCAPSMGPDRP-IFXJQAMLSA-N 0 0 341.455 3.006 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(NC=O)cc2)cc1 ZINC000746105138 1298533409 /nfs/dbraw/zinc/53/34/09/1298533409.db2.gz NKBURZJVOSGKEF-UHFFFAOYSA-N 0 0 339.439 3.373 20 10 EGCDRN CCN(CC(=O)N[C@H](C)c1ccccc1OC)c1ccc(OC)cc1 ZINC000746108935 1298534718 /nfs/dbraw/zinc/53/47/18/1298534718.db2.gz FZBNBHZXEGVLRS-OAHLLOKOSA-N 0 0 342.439 3.408 20 10 EGCDRN CN1CCCc2cc(CNC(=O)c3cc(=O)c4ccccc4o3)ccc21 ZINC000746813665 1298664963 /nfs/dbraw/zinc/66/49/63/1298664963.db2.gz YHXFLZYSCXAXIB-UHFFFAOYSA-N 0 0 348.402 3.105 20 10 EGCDRN O=C([C@H]1CC12CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000747519294 1298793921 /nfs/dbraw/zinc/79/39/21/1298793921.db2.gz XRKXYLRAYBAUGR-DLBZAZTESA-N 0 0 329.440 3.480 20 10 EGCDRN Cc1cccc2c1N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000747676167 1298826375 /nfs/dbraw/zinc/82/63/75/1298826375.db2.gz UYCVEDBCWQNJOJ-UHFFFAOYSA-N 0 0 337.467 3.082 20 10 EGCDRN O=C(Cc1csc(Cc2ccccc2)n1)NCc1ccccc1O ZINC000748345089 1298987997 /nfs/dbraw/zinc/98/79/97/1298987997.db2.gz HXUOQIPYSRGIMK-UHFFFAOYSA-N 0 0 338.432 3.298 20 10 EGCDRN Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)sn1 ZINC000749234074 1299170397 /nfs/dbraw/zinc/17/03/97/1299170397.db2.gz SAQMXSOWFVRJBC-AWEZNQCLSA-N 0 0 347.440 3.370 20 10 EGCDRN CCC[C@@H](O)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000750184036 1299354372 /nfs/dbraw/zinc/35/43/72/1299354372.db2.gz ZSBCDZDCUQVFCM-GOSISDBHSA-N 0 0 344.455 3.426 20 10 EGCDRN C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877535625 1299376280 /nfs/dbraw/zinc/37/62/80/1299376280.db2.gz CBZPQTLJOGGVPB-YCRPNKLZSA-N 0 0 338.451 3.260 20 10 EGCDRN Cn1ncc2c1CN(Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000877632852 1299443840 /nfs/dbraw/zinc/44/38/40/1299443840.db2.gz PJMBOOMGIHIFMU-UHFFFAOYSA-N 0 0 335.407 3.221 20 10 EGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877646028 1299452526 /nfs/dbraw/zinc/45/25/26/1299452526.db2.gz ZZHBTXUFWPDKTJ-ZDUSSCGKSA-N 0 0 336.794 3.371 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)COc1ccc(F)cc1F ZINC000750859074 1299465632 /nfs/dbraw/zinc/46/56/32/1299465632.db2.gz JKNZEDOJOGCZTJ-UHFFFAOYSA-N 0 0 335.350 3.488 20 10 EGCDRN COc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)c(F)c1 ZINC000877666345 1299466035 /nfs/dbraw/zinc/46/60/35/1299466035.db2.gz HLNBHSNXRFTLIQ-UHFFFAOYSA-N 0 0 330.403 3.408 20 10 EGCDRN C[C@@H](OCC1CC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751301904 1299533955 /nfs/dbraw/zinc/53/39/55/1299533955.db2.gz GKZSCRYOFJQEIC-CYBMUJFWSA-N 0 0 336.395 3.150 20 10 EGCDRN CCc1cccc(CC)c1S(=O)(=O)NCc1cccc(OC)c1O ZINC000751308747 1299535835 /nfs/dbraw/zinc/53/58/35/1299535835.db2.gz BQJQJFJISJQNFX-UHFFFAOYSA-N 0 0 349.452 3.004 20 10 EGCDRN CC[C@H](C)c1ccc(S(=O)(=O)NCc2cc(OC)ccc2O)cc1 ZINC000751415111 1299547789 /nfs/dbraw/zinc/54/77/89/1299547789.db2.gz KHGKUXNCELOKMR-ZDUSSCGKSA-N 0 0 349.452 3.393 20 10 EGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000877806239 1299567559 /nfs/dbraw/zinc/56/75/59/1299567559.db2.gz OPBPRVCLEKLHGA-UHFFFAOYSA-N 0 0 337.704 3.190 20 10 EGCDRN O=C1N[C@H](c2cc(Cl)cc(F)c2O)Nc2cc(F)c(F)cc21 ZINC000877857835 1299611191 /nfs/dbraw/zinc/61/11/91/1299611191.db2.gz BCOWUAADJXKFNE-CYBMUJFWSA-N 0 0 328.677 3.317 20 10 EGCDRN C[C@H]1C[NH+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1C ZINC000751929564 1299655420 /nfs/dbraw/zinc/65/54/20/1299655420.db2.gz QRDPNQPTTBBIOT-KBPBESRZSA-N 0 0 325.408 3.417 20 10 EGCDRN C[C@H]1C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C ZINC000751929583 1299655470 /nfs/dbraw/zinc/65/54/70/1299655470.db2.gz QRDPNQPTTBBIOT-OKILXGFUSA-N 0 0 325.408 3.417 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)NC3C(C)(C)C3(C)C)CC2)cc1 ZINC000752019935 1299680400 /nfs/dbraw/zinc/68/04/00/1299680400.db2.gz NJRRERBWSYPLRI-UHFFFAOYSA-N 0 0 345.487 3.398 20 10 EGCDRN O=C(c1cccc2nccn21)N(Cc1ccco1)Cc1ccccc1O ZINC000752086205 1299692944 /nfs/dbraw/zinc/69/29/44/1299692944.db2.gz HHPTZNQHAUTJSS-UHFFFAOYSA-N 0 0 347.374 3.476 20 10 EGCDRN CO[C@@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000752323741 1299722480 /nfs/dbraw/zinc/72/24/80/1299722480.db2.gz ZAYYTJRCWRKMKN-QGZVFWFLSA-N 0 0 330.403 3.137 20 10 EGCDRN COC(=O)COc1ccc(N(C)C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000753592222 1299983485 /nfs/dbraw/zinc/98/34/85/1299983485.db2.gz TWRFSOHMZYERCK-LPHOPBHVSA-N 0 0 325.408 3.478 20 10 EGCDRN COc1ccc(N2CCN(C(=O)/C=C3\CC[C@H](C)C3)CC2)cc1F ZINC000753738958 1300012529 /nfs/dbraw/zinc/01/25/29/1300012529.db2.gz NYDCBBDQHFZCLV-YEQVNJDRSA-N 0 0 332.419 3.229 20 10 EGCDRN COc1ccc(N2CCN(Cc3cc(F)ccc3OC)CC2)cc1F ZINC000753856603 1300030768 /nfs/dbraw/zinc/03/07/68/1300030768.db2.gz HYCUEEAHAWTAHF-UHFFFAOYSA-N 0 0 348.393 3.304 20 10 EGCDRN Cc1ccc(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000754091751 1300083750 /nfs/dbraw/zinc/08/37/50/1300083750.db2.gz MACYOAGIVYIQMT-KRWDZBQOSA-N 0 0 329.396 3.044 20 10 EGCDRN Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC000754536939 1300160464 /nfs/dbraw/zinc/16/04/64/1300160464.db2.gz OESFTXDSSZWESZ-UHFFFAOYSA-N 0 0 342.354 3.418 20 10 EGCDRN CC(=O)NC[C@@H](C)OC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000754621716 1300176890 /nfs/dbraw/zinc/17/68/90/1300176890.db2.gz DUXWISWXFCVDAO-CQSZACIVSA-N 0 0 328.412 3.084 20 10 EGCDRN Cc1cc(C(=O)COC(=O)[C@@]2(C)CCOC2)c(C)n1-c1ccccc1 ZINC000755112157 1300285215 /nfs/dbraw/zinc/28/52/15/1300285215.db2.gz BCBVBTFTYDGAGB-FQEVSTJZSA-N 0 0 341.407 3.247 20 10 EGCDRN C[C@@H](NC(=O)Nc1cccc(OCC(F)F)n1)c1ccccc1O ZINC000879209147 1300429180 /nfs/dbraw/zinc/42/91/80/1300429180.db2.gz YYLQGWNWPHJZIO-SNVBAGLBSA-N 0 0 337.326 3.314 20 10 EGCDRN CCN(CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CCC(F)(F)F ZINC000756050650 1300431911 /nfs/dbraw/zinc/43/19/11/1300431911.db2.gz QZSIDMITKWPNDT-NSHDSACASA-N 0 0 349.353 3.225 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCSCC(C)C)c1 ZINC000756110345 1300440973 /nfs/dbraw/zinc/44/09/73/1300440973.db2.gz AAWACRPCTNWTTB-LBPRGKRZSA-N 0 0 326.462 3.150 20 10 EGCDRN C[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(Br)c(F)cc1[O-] ZINC000756339269 1300470936 /nfs/dbraw/zinc/47/09/36/1300470936.db2.gz DBFXYAWVGBSPNG-VIFPVBQESA-N 0 0 333.245 3.285 20 10 EGCDRN CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756410156 1300485585 /nfs/dbraw/zinc/48/55/85/1300485585.db2.gz DPERWASQIJGHKD-LLVKDONJSA-N 0 0 329.356 3.110 20 10 EGCDRN CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756418045 1300486960 /nfs/dbraw/zinc/48/69/60/1300486960.db2.gz NZFOMQDOSYLRMO-GFCCVEGCSA-N 0 0 343.383 3.500 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756445023 1300493557 /nfs/dbraw/zinc/49/35/57/1300493557.db2.gz XOBCFKUDUHLPAW-ZJUUUORDSA-N 0 0 332.213 3.371 20 10 EGCDRN C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1cc(F)cc(F)c1[O-] ZINC000756447294 1300493921 /nfs/dbraw/zinc/49/39/21/1300493921.db2.gz UGPJKQACVSFDNT-NSHDSACASA-N 0 0 348.349 3.478 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)cc(F)c1[O-] ZINC000756451245 1300495199 /nfs/dbraw/zinc/49/51/99/1300495199.db2.gz XWUSDJUMIDKDRY-CYBMUJFWSA-N 0 0 348.393 3.358 20 10 EGCDRN COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])ccc1OCCO ZINC000756457674 1300496210 /nfs/dbraw/zinc/49/62/10/1300496210.db2.gz JWEFZTGPKPFICD-CHWSQXEVSA-N 0 0 349.402 3.323 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(=O)NCc1ccccc1 ZINC000756482724 1300503451 /nfs/dbraw/zinc/50/34/51/1300503451.db2.gz KKEHULUVWNDQFO-NWDGAFQWSA-N 0 0 334.366 3.026 20 10 EGCDRN C[C@H]([NH2+]CCN1CCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756482980 1300503794 /nfs/dbraw/zinc/50/37/94/1300503794.db2.gz LPDDEWAMWIHWHR-ZDUSSCGKSA-N 0 0 327.384 3.014 20 10 EGCDRN C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756529810 1300514915 /nfs/dbraw/zinc/51/49/15/1300514915.db2.gz VYVSDXNKXASFQI-JTQLQIEISA-N 0 0 330.375 3.188 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(OC)c(F)c2)c1 ZINC000756539942 1300517435 /nfs/dbraw/zinc/51/74/35/1300517435.db2.gz XQTWOSJSPUCWBR-LBPRGKRZSA-N 0 0 347.386 3.220 20 10 EGCDRN C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756561200 1300521432 /nfs/dbraw/zinc/52/14/32/1300521432.db2.gz CGPOEXMUDXTFJD-YJYMSZOUSA-N 0 0 342.395 3.175 20 10 EGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756576912 1300525680 /nfs/dbraw/zinc/52/56/80/1300525680.db2.gz VTCYILIPLVMJGL-YMTOWFKASA-N 0 0 332.213 3.371 20 10 EGCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC000756575254 1300525782 /nfs/dbraw/zinc/52/57/82/1300525782.db2.gz ODAIVHLHQHRWTI-QWRGUYRKSA-N 0 0 344.371 3.203 20 10 EGCDRN CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756575538 1300525896 /nfs/dbraw/zinc/52/58/96/1300525896.db2.gz HKPAUFMHSHTSCP-XPTSAGLGSA-N 0 0 334.229 3.351 20 10 EGCDRN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] 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ZINC000773988486 1303761080 /nfs/dbraw/zinc/76/10/80/1303761080.db2.gz LIJATGRRZWBJAB-GFCCVEGCSA-N 0 0 343.402 3.341 20 10 EGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000774834407 1303865122 /nfs/dbraw/zinc/86/51/22/1303865122.db2.gz VKCBDHDBWJPNSF-OAHLLOKOSA-N 0 0 342.395 3.374 20 10 EGCDRN COc1c(O)c(CNc2cccc3ncccc32)ccc1[N+](=O)[O-] ZINC000775048706 1303894690 /nfs/dbraw/zinc/89/46/90/1303894690.db2.gz PSZCNYDXGKPXLX-UHFFFAOYSA-N 0 0 325.324 3.469 20 10 EGCDRN C[C@@H](NC(=O)[C@@H](C)N1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000775402375 1303957522 /nfs/dbraw/zinc/95/75/22/1303957522.db2.gz DVCXSWOMYHBZON-HZPDHXFCSA-N 0 0 337.467 3.381 20 10 EGCDRN C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccc(N(C)C)cc1 ZINC000775406329 1303958101 /nfs/dbraw/zinc/95/81/01/1303958101.db2.gz XEHTXAWTOMTVQB-KTFSGNIMSA-N 0 0 328.456 3.325 20 10 EGCDRN C[C@@H](NC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccc(N(C)C)cc1 ZINC000775404477 1303958664 /nfs/dbraw/zinc/95/86/64/1303958664.db2.gz MYBZYJOBDBYDSB-KUHUBIRLSA-N 0 0 337.423 3.123 20 10 EGCDRN C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000775562844 1303985069 /nfs/dbraw/zinc/98/50/69/1303985069.db2.gz ROOBCDRDKRVSGX-LBPRGKRZSA-N 0 0 340.383 3.080 20 10 EGCDRN CSc1nsc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775667440 1304010293 /nfs/dbraw/zinc/01/02/93/1304010293.db2.gz RFGQDNWHWSYARE-SECBINFHSA-N 0 0 337.474 3.209 20 10 EGCDRN CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1cccc(C)c1O ZINC000775686628 1304016031 /nfs/dbraw/zinc/01/60/31/1304016031.db2.gz LIJYFPJWBTYJHA-SFHVURJKSA-N 0 0 327.424 3.307 20 10 EGCDRN CC1(c2nccc(NC(=O)NCc3cc(Cl)ccc3O)n2)CC1 ZINC000888033563 1304021744 /nfs/dbraw/zinc/02/17/44/1304021744.db2.gz ALODPXPSPIRLSV-UHFFFAOYSA-N 0 0 332.791 3.209 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnc(C3(C)CC3)n2)c1 ZINC000888043387 1304025336 /nfs/dbraw/zinc/02/53/36/1304025336.db2.gz BSBPWMIVMYAZRF-LLVKDONJSA-N 0 0 342.399 3.125 20 10 EGCDRN COc1cccc(N(CC(C)C)C(=O)/C=C\c2cnc(OC)nc2)c1 ZINC000775824141 1304044285 /nfs/dbraw/zinc/04/42/85/1304044285.db2.gz AWMZPWRGKNAKNC-HJWRWDBZSA-N 0 0 341.411 3.196 20 10 EGCDRN C[C@@H](NCc1cn(Cc2ccccc2)nn1)c1ccc(N(C)C)cc1 ZINC000775834177 1304046581 /nfs/dbraw/zinc/04/65/81/1304046581.db2.gz LBEIIJNQPZSRNF-MRXNPFEDSA-N 0 0 335.455 3.243 20 10 EGCDRN C[C@@H](NC(=O)N[C@@H](CCO)c1cccs1)c1ccc(N(C)C)cc1 ZINC000776149339 1304102774 /nfs/dbraw/zinc/10/27/74/1304102774.db2.gz ZVIAWQHZLQPQLP-CJNGLKHVSA-N 0 0 347.484 3.298 20 10 EGCDRN C[C@@H](NC(=O)N1CCC[C@H](n2ccnc2)C1)c1ccc(N(C)C)cc1 ZINC000776250853 1304121264 /nfs/dbraw/zinc/12/12/64/1304121264.db2.gz XDJCXJNYVLYVDN-QAPCUYQASA-N 0 0 341.459 3.057 20 10 EGCDRN Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cccc(O)c1O ZINC000776282742 1304128653 /nfs/dbraw/zinc/12/86/53/1304128653.db2.gz WOBFJMHZPHBECF-UHFFFAOYSA-N 0 0 343.379 3.325 20 10 EGCDRN C[C@H]1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000776476471 1304163524 /nfs/dbraw/zinc/16/35/24/1304163524.db2.gz MDFKLCXHVCLTMI-GJZGRUSLSA-N 0 0 329.396 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CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000841299436 1321249249 /nfs/dbraw/zinc/24/92/49/1321249249.db2.gz KSYFPOJVRJLSFW-INIZCTEOSA-N 0 0 348.447 3.182 20 10 EGCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC000841301419 1321249589 /nfs/dbraw/zinc/24/95/89/1321249589.db2.gz OHFLNRVQJDOSLV-UHFFFAOYSA-N 0 0 340.427 3.022 20 10 EGCDRN Nc1ccc(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000841301815 1321249748 /nfs/dbraw/zinc/24/97/48/1321249748.db2.gz DNEBZOJQTGKYNW-UHFFFAOYSA-N 0 0 339.395 3.101 20 10 EGCDRN Nc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 ZINC000841301503 1321250039 /nfs/dbraw/zinc/25/00/39/1321250039.db2.gz RIFMXCWSZNDNGL-LBPRGKRZSA-N 0 0 346.381 3.195 20 10 EGCDRN C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841744585 1321305096 /nfs/dbraw/zinc/30/50/96/1321305096.db2.gz QCCHELHPASTQGZ-MCIONIFRSA-N 0 0 326.868 3.196 20 10 EGCDRN CC(F)(F)c1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841910376 1321329253 /nfs/dbraw/zinc/32/92/53/1321329253.db2.gz OHZCISBRUGFFRN-UHFFFAOYSA-N 0 0 333.382 3.422 20 10 EGCDRN [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841947994 1321331223 /nfs/dbraw/zinc/33/12/23/1321331223.db2.gz HWKADXFPCWYGMP-TVQRCGJNSA-N 0 0 346.258 3.016 20 10 EGCDRN C[C@@]12CCN(C(=O)NCCc3ccc(N)cc3)C[C@@H]1C2(Cl)Cl ZINC000841959412 1321332329 /nfs/dbraw/zinc/33/23/29/1321332329.db2.gz NTWBGCAMRVBQLB-DZGCQCFKSA-N 0 0 342.270 3.037 20 10 EGCDRN CCCN(C(=O)NCCc1ccc(N)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000841957203 1321332350 /nfs/dbraw/zinc/33/23/50/1321332350.db2.gz GJIVEHNPJHPPSY-QZTJIDSGSA-N 0 0 347.503 3.437 20 10 EGCDRN Nc1ccc(CCNC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000841959392 1321332593 /nfs/dbraw/zinc/33/25/93/1321332593.db2.gz NPGXURZYCOENAL-MRXNPFEDSA-N 0 0 327.403 3.150 20 10 EGCDRN CCOC(=O)c1coc(NCc2ccc(N(CC)CC)c(F)c2)n1 ZINC000842028198 1321336401 /nfs/dbraw/zinc/33/64/01/1321336401.db2.gz OOEMQVFHBQZBFI-UHFFFAOYSA-N 0 0 335.379 3.449 20 10 EGCDRN Cc1cc(C(=O)OCc2nc(C)oc2C)c(C)n1-c1ccccn1 ZINC000842426492 1321383778 /nfs/dbraw/zinc/38/37/78/1321383778.db2.gz BRBVKNUZGXHAGH-UHFFFAOYSA-N 0 0 325.368 3.451 20 10 EGCDRN Cn1c2ccc(OC(=O)[C@@H]3C[C@]34CCOC4)cc2c2c1CCCC2 ZINC000843020764 1321457797 /nfs/dbraw/zinc/45/77/97/1321457797.db2.gz KYLFENPOZVFHND-JXFKEZNVSA-N 0 0 325.408 3.389 20 10 EGCDRN CCOCCN(CC)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000859271008 1328958542 /nfs/dbraw/zinc/95/85/42/1328958542.db2.gz MJIBVMNHRHDYHQ-UHFFFAOYSA-N 0 0 342.439 3.405 20 10 EGCDRN Nc1ccc(Cc2noc(-c3csc([C@H]4CCCO4)n3)n2)cc1 ZINC000843159326 1321481077 /nfs/dbraw/zinc/48/10/77/1321481077.db2.gz PDIRMPPVDFTXQL-CYBMUJFWSA-N 0 0 328.397 3.218 20 10 EGCDRN CCO[C@@H](C)c1ncc(-c2nc(Cc3ccc(N)cc3)no2)s1 ZINC000843162462 1321481121 /nfs/dbraw/zinc/48/11/21/1321481121.db2.gz XWTNSEZTUPCASB-JTQLQIEISA-N 0 0 330.413 3.464 20 10 EGCDRN CCc1c(C(=O)CN(C)c2ccc(OC)cc2)[nH]c(C)c1C(C)=O ZINC000844352659 1321592543 /nfs/dbraw/zinc/59/25/43/1321592543.db2.gz AXYMHENEVZGRKC-UHFFFAOYSA-N 0 0 328.412 3.416 20 10 EGCDRN CSCC1(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000844352145 1321592833 /nfs/dbraw/zinc/59/28/33/1321592833.db2.gz UQDKPQVHKOANFP-HNNXBMFYSA-N 0 0 348.512 3.234 20 10 EGCDRN COc1ccc(N(C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000844353660 1321592903 /nfs/dbraw/zinc/59/29/03/1321592903.db2.gz UHANDOCQCFJTIO-AWEZNQCLSA-N 0 0 330.403 3.490 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CC3(CSC)CC3)C2)cc1 ZINC000844601703 1321625112 /nfs/dbraw/zinc/62/51/12/1321625112.db2.gz HRIWGDVQZUFJEV-HNNXBMFYSA-N 0 0 348.512 3.171 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CCC[C@H](OC)C2)cc1 ZINC000844855770 1321650876 /nfs/dbraw/zinc/65/08/76/1321650876.db2.gz HJWISYKAFZXRFA-LPHOPBHVSA-N 0 0 348.487 3.185 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C(C)C)cn2)cc1 ZINC000844855898 1321651361 /nfs/dbraw/zinc/65/13/61/1321651361.db2.gz CZKSYAVLPSXFJU-UHFFFAOYSA-N 0 0 341.455 3.422 20 10 EGCDRN CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](CC)CO1 ZINC000844886819 1321654614 /nfs/dbraw/zinc/65/46/14/1321654614.db2.gz AXZSAOBELDAOFB-HKUYNNGSSA-N 0 0 345.487 3.386 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](F)C2)cc1F ZINC000844965390 1321663809 /nfs/dbraw/zinc/66/38/09/1321663809.db2.gz RIRGXDCOPGCNSK-AWEZNQCLSA-N 0 0 325.403 3.315 20 10 EGCDRN CC[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@H](CC)CO1 ZINC000845045522 1321671304 /nfs/dbraw/zinc/67/13/04/1321671304.db2.gz HYNRUBKIGZMDJK-CHWSQXEVSA-N 0 0 343.518 3.224 20 10 EGCDRN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](CC)CO1 ZINC000845126031 1321678087 /nfs/dbraw/zinc/67/80/87/1321678087.db2.gz UOKDLCUPTNPRMG-QILLFSRXSA-N 0 0 333.476 3.413 20 10 EGCDRN O=C(NCc1ccc2c(n1)CCCC2)NCc1cc(Cl)ccc1O ZINC000845154598 1321679291 /nfs/dbraw/zinc/67/92/91/1321679291.db2.gz XYZRAIPEJDHDDT-UHFFFAOYSA-N 0 0 345.830 3.319 20 10 EGCDRN O=C(NCc1cc(Cl)ccc1O)NCC1(c2ccccn2)CCC1 ZINC000845191622 1321681693 /nfs/dbraw/zinc/68/16/93/1321681693.db2.gz HMHVMORUTIEAGC-UHFFFAOYSA-N 0 0 345.830 3.362 20 10 EGCDRN C[C@H]1C[C@@H]1c1nnc2ccc(NCc3cc(Cl)ccc3O)nn21 ZINC000845709831 1321735659 /nfs/dbraw/zinc/73/56/59/1321735659.db2.gz YORYYGFSVQLABC-CABZTGNLSA-N 0 0 329.791 3.219 20 10 EGCDRN CNC(=O)CCOc1ccc(N[C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846161633 1321773451 /nfs/dbraw/zinc/77/34/51/1321773451.db2.gz FPOMFJMEPZWNPM-ZDUSSCGKSA-N 0 0 344.411 3.089 20 10 EGCDRN CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H](C)CO1 ZINC000846430737 1321786158 /nfs/dbraw/zinc/78/61/58/1321786158.db2.gz DHEZALMTCNDBFF-GDBMZVCRSA-N 0 0 327.428 3.129 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)CCCc2nccs2)cc1 ZINC000846442420 1321786551 /nfs/dbraw/zinc/78/65/51/1321786551.db2.gz QIYRPBPLBLXSMK-UHFFFAOYSA-N 0 0 347.484 3.069 20 10 EGCDRN CC[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H]1CCCO1 ZINC000846684792 1321801168 /nfs/dbraw/zinc/80/11/68/1321801168.db2.gz RWDSGEBYSZJIRR-GDBMZVCRSA-N 0 0 345.468 3.004 20 10 EGCDRN C[C@H](c1nccc(N)n1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000846766187 1321806561 /nfs/dbraw/zinc/80/65/61/1321806561.db2.gz OSMDCKWKVKAJDX-OAHLLOKOSA-N 0 0 325.460 3.242 20 10 EGCDRN CN1CCCc2cc(CNC(=O)c3cnccc3C(F)(F)F)ccc21 ZINC000846842292 1321815734 /nfs/dbraw/zinc/81/57/34/1321815734.db2.gz GPMVWZUNRBSVPC-UHFFFAOYSA-N 0 0 349.356 3.413 20 10 EGCDRN CN(Cc1nc(C2CC2)nn1C)c1ccc(-c2nccs2)cc1 ZINC000846992592 1321831868 /nfs/dbraw/zinc/83/18/68/1321831868.db2.gz KVEQQCYWMORUFU-UHFFFAOYSA-N 0 0 325.441 3.452 20 10 EGCDRN COc1ccc2c(c1)CN(C(=O)NCc1ccc(N(C)C)c(F)c1)C2 ZINC000847302063 1321861302 /nfs/dbraw/zinc/86/13/02/1321861302.db2.gz FAKRVUKRBSTKNM-UHFFFAOYSA-N 0 0 343.402 3.126 20 10 EGCDRN C[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000847474696 1321873866 /nfs/dbraw/zinc/87/38/66/1321873866.db2.gz UTRJUYPNRGFIQW-INIZCTEOSA-N 0 0 340.471 3.141 20 10 EGCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1cccc(OC)c1O)CCC2 ZINC000847588661 1321882442 /nfs/dbraw/zinc/88/24/42/1321882442.db2.gz ASMNDWBXBDILNR-INIZCTEOSA-N 0 0 341.407 3.146 20 10 EGCDRN CCn1c2ccccc2nc(N(C)Cc2ccc(N(C)C)cc2)c1=O ZINC000848643776 1321984434 /nfs/dbraw/zinc/98/44/34/1321984434.db2.gz UCCWRTWZNDURGH-UHFFFAOYSA-N 0 0 336.439 3.119 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NOCc2ccccc2)cc1 ZINC000918778979 1321997183 /nfs/dbraw/zinc/99/71/83/1321997183.db2.gz XCDWIVJNHJGTSC-UHFFFAOYSA-N 0 0 327.428 3.464 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1nc2c(s1)CCC2 ZINC000919071623 1322026074 /nfs/dbraw/zinc/02/60/74/1322026074.db2.gz LOKWRQQAYAXLSJ-UHFFFAOYSA-N 0 0 344.484 3.006 20 10 EGCDRN CCc1cccc(CNc2cc3c(cc2OC)CCC(=O)N3)c1O ZINC000848903123 1322040678 /nfs/dbraw/zinc/04/06/78/1322040678.db2.gz MXHBTPUAQSREIF-UHFFFAOYSA-N 0 0 326.396 3.460 20 10 EGCDRN COc1cc(CNCc2nnc(C(C)(C)C)[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850323047 1322228651 /nfs/dbraw/zinc/22/86/51/1322228651.db2.gz BIXPWELOSWMWAU-UHFFFAOYSA-N 0 0 346.475 3.404 20 10 EGCDRN COc1cccc(OC)c1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850355680 1322233615 /nfs/dbraw/zinc/23/36/15/1322233615.db2.gz LQSLNPXNSDOUER-UHFFFAOYSA-N 0 0 325.767 3.492 20 10 EGCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@]1(O)CCCOC1 ZINC000850401147 1322239473 /nfs/dbraw/zinc/23/94/73/1322239473.db2.gz VQHBNKZSIXWETH-INIZCTEOSA-N 0 0 348.270 3.356 20 10 EGCDRN C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850573475 1322270466 /nfs/dbraw/zinc/27/04/66/1322270466.db2.gz MMILBUNNOJPVEF-FHSNZYRGSA-N 0 0 330.384 3.116 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000921203701 1322272403 /nfs/dbraw/zinc/27/24/03/1322272403.db2.gz JHUWOXFQOVXSME-CYBMUJFWSA-N 0 0 347.484 3.189 20 10 EGCDRN CC(C)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(=O)[nH]1 ZINC000931146005 1329060698 /nfs/dbraw/zinc/06/06/98/1329060698.db2.gz IUIQSKYUXDEOPG-UHFFFAOYSA-N 0 0 331.391 3.046 20 10 EGCDRN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ncco1 ZINC000924716339 1323129181 /nfs/dbraw/zinc/12/91/81/1323129181.db2.gz PKNDRMCMDZLRBP-MCIONIFRSA-N 0 0 333.407 3.278 20 10 EGCDRN CC(C)n1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000924794362 1323165733 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EGCDRN COC(=O)c1cc(NC(=O)N(C)Cc2ccccc2O)c(C)s1 ZINC000879853324 1300765861 /nfs/dbraw/zinc/76/58/61/1300765861.db2.gz GPEFHGUGZUQHFF-UHFFFAOYSA-N 0 0 334.397 3.213 20 10 EGCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1cc2ccccc2s1 ZINC000758428665 1300882376 /nfs/dbraw/zinc/88/23/76/1300882376.db2.gz FPMBSKUSTWAKLR-UVTDQMKNSA-N 0 0 330.434 3.204 20 10 EGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1nc(-c2ccccc2)no1 ZINC000758560632 1300910599 /nfs/dbraw/zinc/91/05/99/1300910599.db2.gz MZNOLCDYOMZYCT-JTQLQIEISA-N 0 0 326.308 3.066 20 10 EGCDRN O=C(COC(=O)c1cccc(O)c1O)c1cccc(C(F)(F)F)c1 ZINC000758563841 1300911917 /nfs/dbraw/zinc/91/19/17/1300911917.db2.gz YCCWXYMEXGAXKH-UHFFFAOYSA-N 0 0 340.253 3.156 20 10 EGCDRN CCN(C(C)=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000880077850 1300915275 /nfs/dbraw/zinc/91/52/75/1300915275.db2.gz UKIRCXOJLFSPMR-GFCCVEGCSA-N 0 0 342.399 3.043 20 10 EGCDRN COC(C)(C)CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000758752556 1300951214 /nfs/dbraw/zinc/95/12/14/1300951214.db2.gz 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Nc1ccc(CCNC(=O)N2CCc3cccc(Cl)c3C2)cc1 ZINC000841956086 1321331534 /nfs/dbraw/zinc/33/15/34/1321331534.db2.gz UUVCFZBGXAKUAA-UHFFFAOYSA-N 0 0 329.831 3.233 20 10 EGCDRN CCCN(C(=O)NCCc1ccc(N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000841954536 1321331701 /nfs/dbraw/zinc/33/17/01/1321331701.db2.gz NHSJMJWWTZQOMB-RCCFBDPRSA-N 0 0 345.487 3.046 20 10 EGCDRN Nc1ccc(CCNC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000841957059 1321332516 /nfs/dbraw/zinc/33/25/16/1321332516.db2.gz MLMQNBAUMUEVJM-UHFFFAOYSA-N 0 0 345.393 3.464 20 10 EGCDRN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)[C@@H](C)[C@H]3C)CC2)cc1 ZINC000842176568 1321357961 /nfs/dbraw/zinc/35/79/61/1321357961.db2.gz UPHGSMHSPWSUQQ-ARFHVFGLSA-N 0 0 345.487 3.350 20 10 EGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1=CCCCC1 ZINC000842250899 1321365343 /nfs/dbraw/zinc/36/53/43/1321365343.db2.gz MSZKESRCRCVZTQ-UHFFFAOYSA-N 0 0 334.803 3.310 20 10 EGCDRN CCN(C)c1ccc(Cn2nc(C)cc(C(F)(F)F)c2=O)cc1 ZINC000842595401 1321405155 /nfs/dbraw/zinc/40/51/55/1321405155.db2.gz HICRZURQWSSDQK-UHFFFAOYSA-N 0 0 325.334 3.075 20 10 EGCDRN Cn1c2ccc(OC(=O)[C@@H]3CCc4n[nH]cc4C3)cc2c2c1CCCC2 ZINC000843020346 1321457560 /nfs/dbraw/zinc/45/75/60/1321457560.db2.gz GIVQULAANMPWAD-CYBMUJFWSA-N 0 0 349.434 3.491 20 10 EGCDRN Cn1c2ccc(OC(=O)CCc3ncccn3)cc2c2c1CCCC2 ZINC000843020343 1321457620 /nfs/dbraw/zinc/45/76/20/1321457620.db2.gz GFIKTNXTCPQDGG-UHFFFAOYSA-N 0 0 335.407 3.385 20 10 EGCDRN Cn1cc([C@@H]2C[C@H]2C(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)cn1 ZINC000843021573 1321457747 /nfs/dbraw/zinc/45/77/47/1321457747.db2.gz QVLTZLWUIWYSBW-FUHWJXTLSA-N 0 0 349.434 3.500 20 10 EGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000843120321 1321473491 /nfs/dbraw/zinc/47/34/91/1321473491.db2.gz FIBVPUSFDTVYNS-HNNXBMFYSA-N 0 0 338.238 3.241 20 10 EGCDRN Nc1ccc(Cc2noc(-c3cnc([C@H]4CCCO4)s3)n2)cc1 ZINC000843159916 1321481204 /nfs/dbraw/zinc/48/12/04/1321481204.db2.gz SSEOKNLCHRXHKJ-GFCCVEGCSA-N 0 0 328.397 3.218 20 10 EGCDRN Cc1cc(C(=O)NC(C)C)c(C)n1-c1ccc(Br)cn1 ZINC000843749571 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COc1ccc(N(C)CCN(C)C(=O)c2csc(C3CC3)n2)cc1 ZINC000844853189 1321650854 /nfs/dbraw/zinc/65/08/54/1321650854.db2.gz CKYCTSAUSKGJPM-UHFFFAOYSA-N 0 0 345.468 3.238 20 10 EGCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](CC)CO1 ZINC000845002278 1321667474 /nfs/dbraw/zinc/66/74/74/1321667474.db2.gz IKUZLXYSRSMHIL-PKOBYXMFSA-N 0 0 343.471 3.162 20 10 EGCDRN Cc1nc(CCNC(=O)NCc2cc(Cl)ccc2O)sc1C ZINC000845060655 1321673610 /nfs/dbraw/zinc/67/36/10/1321673610.db2.gz HVSIGUNVHNYDAY-UHFFFAOYSA-N 0 0 339.848 3.161 20 10 EGCDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845128240 1321677727 /nfs/dbraw/zinc/67/77/27/1321677727.db2.gz RGWMQGWDMZGUDO-GDBMZVCRSA-N 0 0 340.851 3.439 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)NOC2CCCCC2)cc1 ZINC000845128162 1321677739 /nfs/dbraw/zinc/67/77/39/1321677739.db2.gz DBPRBHKHTVOSLR-UHFFFAOYSA-N 0 0 335.448 3.037 20 10 EGCDRN CC[C@H]1COC(C)(C)CN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000845125596 1321677776 /nfs/dbraw/zinc/67/77/76/1321677776.db2.gz 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CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1Cl)C1CCCCC1 ZINC000849308193 1322109835 /nfs/dbraw/zinc/10/98/35/1322109835.db2.gz JAIIZPWNWGIBJE-OAHLLOKOSA-N 0 0 347.864 3.383 20 10 EGCDRN CCOCc1nnc(NCc2cc(OC)cc(C(C)(C)C)c2O)o1 ZINC000849344580 1322115019 /nfs/dbraw/zinc/11/50/19/1322115019.db2.gz APVIBYJTFUNMAW-UHFFFAOYSA-N 0 0 335.404 3.230 20 10 EGCDRN Cc1cc(C(=O)NN2[C@@H](C)CCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000920424381 1322175968 /nfs/dbraw/zinc/17/59/68/1322175968.db2.gz DAWNCLKVCLBAGD-KBPBESRZSA-N 0 0 326.444 3.397 20 10 EGCDRN COCCn1ccc(NCc2cc(OC)cc(C(C)(C)C)c2O)n1 ZINC000850137429 1322197326 /nfs/dbraw/zinc/19/73/26/1322197326.db2.gz OOMNQQQBSBAXOU-UHFFFAOYSA-N 0 0 333.432 3.153 20 10 EGCDRN Nc1ccc(CNC(=O)CCCc2ccc3c(c2)OCCCO3)cc1 ZINC000859594158 1329030429 /nfs/dbraw/zinc/03/04/29/1329030429.db2.gz RCZWIZVSTVGSOF-UHFFFAOYSA-N 0 0 340.423 3.069 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)[C@H]1CCOC1 ZINC000859598294 1329031809 /nfs/dbraw/zinc/03/18/09/1329031809.db2.gz AMNUSSZOOILYKL-ZBFHGGJFSA-N 0 0 340.423 3.061 20 10 EGCDRN Cc1ccc(C(=O)N2Cc3ccccc3N3CCC[C@@H]3C2)c(O)c1O ZINC000922588541 1322564328 /nfs/dbraw/zinc/56/43/28/1322564328.db2.gz LEIDQELPBAXVQN-OAHLLOKOSA-N 0 0 338.407 3.031 20 10 EGCDRN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc(N)cc1 ZINC000923401101 1322745717 /nfs/dbraw/zinc/74/57/17/1322745717.db2.gz RHXQVNNZWDITFU-CQSZACIVSA-N 0 0 340.345 3.164 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1nc2c(s1)CCC2 ZINC000924585868 1323064387 /nfs/dbraw/zinc/06/43/87/1323064387.db2.gz DTJSKPDVJGKPLM-UHFFFAOYSA-N 0 0 345.468 3.459 20 10 EGCDRN COc1cc(N(C)CCOCc2ccccc2)cc(OC)c1OC ZINC000851784568 1323088591 /nfs/dbraw/zinc/08/85/91/1323088591.db2.gz VBVGCQAEDHGLQJ-UHFFFAOYSA-N 0 0 331.412 3.365 20 10 EGCDRN COc1ncc(Br)cc1CN(C)Cc1ccccc1O ZINC000851841898 1323100333 /nfs/dbraw/zinc/10/03/33/1323100333.db2.gz ZKFPUSCOGIHJPU-UHFFFAOYSA-N 0 0 337.217 3.190 20 10 EGCDRN CC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000851991567 1323126147 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CCc1c(Cl)ncnc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853958521 1325192829 /nfs/dbraw/zinc/19/28/29/1325192829.db2.gz WYMJWZNYHWVVSQ-UHFFFAOYSA-N 0 0 346.862 3.266 20 10 EGCDRN COc1ccc(N2CCN(C(=O)/C=C(/C)c3ccco3)CC2)cc1 ZINC000854198284 1325226652 /nfs/dbraw/zinc/22/66/52/1325226652.db2.gz GQZFTAPEJYZIHP-PFONDFGASA-N 0 0 326.396 3.040 20 10 EGCDRN COc1ccc(N2CCN(C(=O)c3cc(SC)oc3C)CC2)cc1 ZINC000854198760 1325227812 /nfs/dbraw/zinc/22/78/12/1325227812.db2.gz QJJXBUCGICJPMH-UHFFFAOYSA-N 0 0 346.452 3.281 20 10 EGCDRN Cc1cc(C(=O)NC[C@@H]2CC(C)=NO2)c(C)n1-c1ccccc1C ZINC000854789378 1325306976 /nfs/dbraw/zinc/30/69/76/1325306976.db2.gz ZHQXCLDOQYUMGG-INIZCTEOSA-N 0 0 325.412 3.297 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2cccnc2n1 ZINC000854948314 1325327206 /nfs/dbraw/zinc/32/72/06/1325327206.db2.gz NPMOJBKNATXCSL-HNNXBMFYSA-N 0 0 348.450 3.365 20 10 EGCDRN C[C@@H]1COC[C@@H]1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000926003852 1325385692 /nfs/dbraw/zinc/38/56/92/1325385692.db2.gz 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O=C1CCCCN1C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191415177 455483687 /nfs/dbraw/zinc/48/36/87/455483687.db2.gz YCNKOOPEYYZISG-UHFFFAOYSA-N 0 0 340.826 3.162 20 10 EGCDRN C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185110382 455503147 /nfs/dbraw/zinc/50/31/47/455503147.db2.gz AOSRHHBGCRYKEA-UWVGGRQHSA-N 0 0 331.243 3.361 20 10 EGCDRN Cc1cccc(-c2cncc(C(=O)NCc3ccc(O)c(O)c3)c2)c1 ZINC000182526469 455532839 /nfs/dbraw/zinc/53/28/39/455532839.db2.gz RCJCIDWPINOBJY-UHFFFAOYSA-N 0 0 334.375 3.398 20 10 EGCDRN COc1cc(Cl)cc(CN[C@@H](C)C(=O)OC2CCCC2)c1O ZINC000192006725 455541140 /nfs/dbraw/zinc/54/11/40/455541140.db2.gz UUJGFZUMXSKKSL-JTQLQIEISA-N 0 0 327.808 3.018 20 10 EGCDRN Cc1ccn2c(=O)cc(COc3ccc(N4CCCC4)cc3)nc2c1 ZINC000267389304 455550033 /nfs/dbraw/zinc/55/00/33/455550033.db2.gz HGEBBKCMUKUTIT-UHFFFAOYSA-N 0 0 335.407 3.182 20 10 EGCDRN O=C(C[C@H]1CCCCO1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000268057274 455586119 /nfs/dbraw/zinc/58/61/19/455586119.db2.gz UKJPGDKALXJUHL-CQSZACIVSA-N 0 0 336.395 3.294 20 10 EGCDRN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000185657481 455590740 /nfs/dbraw/zinc/59/07/40/455590740.db2.gz HMXMNKSIYNVACK-MYQFPRQMSA-N 0 0 325.474 3.131 20 10 EGCDRN Cc1nc(C)c(NC(=O)NCc2ccc(N3CC=CC3)cc2)s1 ZINC000268130803 455597423 /nfs/dbraw/zinc/59/74/23/455597423.db2.gz DQWFPULNKJSAME-UHFFFAOYSA-N 0 0 328.441 3.458 20 10 EGCDRN COc1cc(/C=C2\SC(=S)N(C3CCC3)C2=O)cc(OC)c1 ZINC000292260871 455611860 /nfs/dbraw/zinc/61/18/60/455611860.db2.gz FSPJLWSPDSZZAV-ZSOIEALJSA-N 0 0 335.450 3.458 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCO[C@H](C)C2)cc1 ZINC000271461804 455646250 /nfs/dbraw/zinc/64/62/50/455646250.db2.gz JVBXBUONSNIHAR-WBVHZDCISA-N 0 0 333.476 3.147 20 10 EGCDRN C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1[O-] ZINC000186019237 455676860 /nfs/dbraw/zinc/67/68/60/455676860.db2.gz NKBAXTAGCHXVJP-OAHLLOKOSA-N 0 0 336.451 3.217 20 10 EGCDRN CN(C)c1ccc(OCc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000277885125 455696373 /nfs/dbraw/zinc/69/63/73/455696373.db2.gz PVKCXEAZUIHBAC-UHFFFAOYSA-N 0 0 341.379 3.328 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000186195553 455714520 /nfs/dbraw/zinc/71/45/20/455714520.db2.gz OCUASCBSOQCXIN-RDTXWAMCSA-N 0 0 342.414 3.373 20 10 EGCDRN CCNC(=O)COc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1 ZINC000186263308 455728345 /nfs/dbraw/zinc/72/83/45/455728345.db2.gz DAKSFDIUYMQKOW-CQSZACIVSA-N 0 0 328.412 3.389 20 10 EGCDRN CC[C@@H](Nc1ccc(N2CCOCC2)nc1C)c1ccccc1O ZINC000186381019 455756860 /nfs/dbraw/zinc/75/68/60/455756860.db2.gz XTBAXAOFRWTSPX-MRXNPFEDSA-N 0 0 327.428 3.495 20 10 EGCDRN C[C@H]1CCN2C(=O)N(c3cc(Cl)c(N)c(Cl)c3)C(=O)[C@H]2C1 ZINC000278119023 455763360 /nfs/dbraw/zinc/76/33/60/455763360.db2.gz LOPIIUDGNWEFQQ-WRWORJQWSA-N 0 0 328.199 3.143 20 10 EGCDRN CCCc1nc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000186420923 455764523 /nfs/dbraw/zinc/76/45/23/455764523.db2.gz PRXUXYAFQNDKBW-JTQLQIEISA-N 0 0 334.441 3.176 20 10 EGCDRN Cc1cc(C)c(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000186443356 455770591 /nfs/dbraw/zinc/77/05/91/455770591.db2.gz VAQQWPMASHNAEN-OAHLLOKOSA-N 0 0 327.424 3.313 20 10 EGCDRN O=C(NCCC[C@@H]1CCCCO1)NCc1ccc(N2CC=CC2)cc1 ZINC000186515649 455783617 /nfs/dbraw/zinc/78/36/17/455783617.db2.gz HSQSDYGKXUQFDB-IBGZPJMESA-N 0 0 343.471 3.211 20 10 EGCDRN CCc1nc(C)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000293497095 455788659 /nfs/dbraw/zinc/78/86/59/455788659.db2.gz WVSGTEFBLNFEKT-HNNXBMFYSA-N 0 0 344.411 3.072 20 10 EGCDRN CCOC(=O)[C@@H](F)C1CN(Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000293804560 455798390 /nfs/dbraw/zinc/79/83/90/455798390.db2.gz DNNKNXNIZZFSDT-KRWDZBQOSA-N 0 0 340.414 3.005 20 10 EGCDRN Cn1cc(C(=O)NCCc2ccc(N)cc2)c(C2CCCCC2)n1 ZINC000269154019 455800346 /nfs/dbraw/zinc/80/03/46/455800346.db2.gz YSVQHNHEAKBVJP-UHFFFAOYSA-N 0 0 326.444 3.023 20 10 EGCDRN CN1C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C(=O)C12CCCC2 ZINC000278262284 455801701 /nfs/dbraw/zinc/80/17/01/455801701.db2.gz XUPXLYBSJZAMSD-UHFFFAOYSA-N 0 0 328.199 3.287 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)NCCC[C@H]2CCCCO2)cc1 ZINC000186608705 455804297 /nfs/dbraw/zinc/80/42/97/455804297.db2.gz ZDLDIONKFZCDPZ-GOSISDBHSA-N 0 0 333.476 3.243 20 10 EGCDRN CC(C)c1cccc(O[C@@H](C)C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000269174218 455804510 /nfs/dbraw/zinc/80/45/10/455804510.db2.gz GNCSUBMLFFDWLB-AWEZNQCLSA-N 0 0 343.423 3.347 20 10 EGCDRN C[C@H](SCc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000269205762 455810804 /nfs/dbraw/zinc/81/08/04/455810804.db2.gz MZDMGKVASMALKS-ZDUSSCGKSA-N 0 0 331.437 3.078 20 10 EGCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000294737926 455824748 /nfs/dbraw/zinc/82/47/48/455824748.db2.gz CALPTSYRWNRBAH-DOTOQJQBSA-N 0 0 348.462 3.229 20 10 EGCDRN Cc1cc(C)c([C@H](C)Nc2ccc(N3CCNC(=O)C3)cc2)c(O)c1 ZINC000294856301 455830343 /nfs/dbraw/zinc/83/03/43/455830343.db2.gz SSJCYRCWJVQFPL-HNNXBMFYSA-N 0 0 339.439 3.118 20 10 EGCDRN c1ncn(-c2ncccc2NCc2ccc(N3CCCCC3)cc2)n1 ZINC000194376523 455832965 /nfs/dbraw/zinc/83/29/65/455832965.db2.gz UMUDZMYZZYABPF-UHFFFAOYSA-N 0 0 334.427 3.265 20 10 EGCDRN CCS[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278477791 455837583 /nfs/dbraw/zinc/83/75/83/455837583.db2.gz ITCKSLYSAXHILN-OLZOCXBDSA-N 0 0 340.445 3.463 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC1(F)F ZINC000295275464 455844359 /nfs/dbraw/zinc/84/43/59/455844359.db2.gz LTYMRPAOYSBBQZ-JTQLQIEISA-N 0 0 334.160 3.158 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](Cc1ccccc1)OC ZINC000295304413 455845081 /nfs/dbraw/zinc/84/50/81/455845081.db2.gz RJOLPWZXNBLUNG-LJQANCHMSA-N 0 0 327.424 3.389 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000269375900 455845859 /nfs/dbraw/zinc/84/58/59/455845859.db2.gz XLDZATPOHZSXCY-QGZVFWFLSA-N 0 0 345.487 3.386 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269453638 455848402 /nfs/dbraw/zinc/84/84/02/455848402.db2.gz GSZVLAAQQPLLES-UHFFFAOYSA-N 0 0 346.387 3.199 20 10 EGCDRN C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278851921 455850258 /nfs/dbraw/zinc/85/02/58/455850258.db2.gz VPXQCAPYNOVXFA-PSLIRLAXSA-N 0 0 334.243 3.137 20 10 EGCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1C ZINC000269857869 455853682 /nfs/dbraw/zinc/85/36/82/455853682.db2.gz VHIXRGLDQPWBNQ-KRWDZBQOSA-N 0 0 342.439 3.169 20 10 EGCDRN Cc1cccc(CCC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000285498181 455858010 /nfs/dbraw/zinc/85/80/10/455858010.db2.gz JBKFIJKJRAJZNL-UHFFFAOYSA-N 0 0 335.791 3.380 20 10 EGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2nc(C)no2)c1O ZINC000285526488 455863493 /nfs/dbraw/zinc/86/34/93/455863493.db2.gz FDZNLEKSLYMOGV-CQSZACIVSA-N 0 0 335.791 3.277 20 10 EGCDRN Cc1ccc(O)c(CNc2ccc(C)c(S(=O)(=O)NC3CC3)c2)c1 ZINC000285536019 455865594 /nfs/dbraw/zinc/86/55/94/455865594.db2.gz LFRQTKSCHJIBDX-UHFFFAOYSA-N 0 0 346.452 3.062 20 10 EGCDRN Cc1sc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc1C(C)C ZINC000279643768 455869521 /nfs/dbraw/zinc/86/95/21/455869521.db2.gz CUGCIBDADGHGPR-LLVKDONJSA-N 0 0 348.468 3.276 20 10 EGCDRN CNC(=O)COc1ccc(N[C@@H](C)c2ccc(C)cc2O)c(C)c1 ZINC000279892047 455876506 /nfs/dbraw/zinc/87/65/06/455876506.db2.gz ABWUDEDYZLAMHJ-AWEZNQCLSA-N 0 0 328.412 3.307 20 10 EGCDRN COc1cc(Cl)cc(CNc2cccc(-c3ncn(C)n3)c2)c1O ZINC000187375152 455901825 /nfs/dbraw/zinc/90/18/25/455901825.db2.gz RSGMOYSERIXZON-UHFFFAOYSA-N 0 0 344.802 3.462 20 10 EGCDRN O=C(NCc1ccccc1O)N[C@H]1CCCOc2c(F)cccc21 ZINC000272370207 455929281 /nfs/dbraw/zinc/92/92/81/455929281.db2.gz UCDVYGALVKATHH-HNNXBMFYSA-N 0 0 330.359 3.244 20 10 EGCDRN c1[nH]c2ncccc2c1C1=CCN(c2cc(NCC3CC3)ncn2)CC1 ZINC000270331709 455930512 /nfs/dbraw/zinc/93/05/12/455930512.db2.gz ZXODWFOROJVFPH-UHFFFAOYSA-N 0 0 346.438 3.469 20 10 EGCDRN CCc1cc(C)cc(CC)c1NC(=O)C(=O)NCc1ccccc1O ZINC000280283991 455935681 /nfs/dbraw/zinc/93/56/81/455935681.db2.gz HIXZQFFHUHKLHN-UHFFFAOYSA-N 0 0 340.423 3.080 20 10 EGCDRN C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280283801 455935821 /nfs/dbraw/zinc/93/58/21/455935821.db2.gz MYMLRFLCNZWNBG-IUODEOHRSA-N 0 0 346.393 3.055 20 10 EGCDRN C[C@@H]1C(=O)N(Cc2ccc(N(C)C)cc2)C(=O)N1Cc1ccccc1 ZINC000286026864 455963021 /nfs/dbraw/zinc/96/30/21/455963021.db2.gz SGFQTPPPWFJWFV-OAHLLOKOSA-N 0 0 337.423 3.106 20 10 EGCDRN C[C@H]1CC(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H](C)C1 ZINC000272476310 455964072 /nfs/dbraw/zinc/96/40/72/455964072.db2.gz NURNIHASPBBJCL-HZPDHXFCSA-N 0 0 330.472 3.212 20 10 EGCDRN CN(c1ccc(CN2C(=O)[C@@H]3CCCN3C2=O)cc1)C1CCCCC1 ZINC000272481534 455965614 /nfs/dbraw/zinc/96/56/14/455965614.db2.gz RQFXSSXHSNTHQZ-SFHVURJKSA-N 0 0 341.455 3.382 20 10 EGCDRN CC[C@@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccc(F)cc1[O-] ZINC000286091558 455976051 /nfs/dbraw/zinc/97/60/51/455976051.db2.gz MTPHNKPUSUOAAM-MRXNPFEDSA-N 0 0 349.402 3.152 20 10 EGCDRN COc1c([O-])c(C[NH2+]CCc2ccc(SC)cc2)ccc1[N+](=O)[O-] ZINC000280682257 456029571 /nfs/dbraw/zinc/02/95/71/456029571.db2.gz NJDLQGBAEIBFDW-UHFFFAOYSA-N 0 0 348.424 3.363 20 10 EGCDRN Cc1cc(C(=O)Nc2cc3n(n2)CCCC3)c(C)n1-c1ccccn1 ZINC000286683689 456052174 /nfs/dbraw/zinc/05/21/74/456052174.db2.gz XARXKYRJCXEDLG-UHFFFAOYSA-N 0 0 335.411 3.274 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@](F)(CO)C2)cc1 ZINC000286799807 456054260 /nfs/dbraw/zinc/05/42/60/456054260.db2.gz MLIRWPHMHWOPQG-IBGZPJMESA-N 0 0 330.403 3.031 20 10 EGCDRN CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(F)cc1[O-] ZINC000286937038 456056855 /nfs/dbraw/zinc/05/68/55/456056855.db2.gz AZAJBJTUIIESGN-INIZCTEOSA-N 0 0 330.407 3.031 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccncc2C)cc1F ZINC000188453820 456065635 /nfs/dbraw/zinc/06/56/35/456065635.db2.gz KMEJLZORRLGWHS-UHFFFAOYSA-N 0 0 329.419 3.234 20 10 EGCDRN CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1F ZINC000287367294 456067633 /nfs/dbraw/zinc/06/76/33/456067633.db2.gz YUMLCSBBHBGJFM-KRWDZBQOSA-N 0 0 345.422 3.052 20 10 EGCDRN COCc1cnc(NC(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000287425202 456069421 /nfs/dbraw/zinc/06/94/21/456069421.db2.gz DLMDQIRGDKQXKR-UHFFFAOYSA-N 0 0 346.456 3.211 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)c3cccnc3F)cc2)CC1 ZINC000287580163 456072387 /nfs/dbraw/zinc/07/23/87/456072387.db2.gz MABUSGXJLNHGPE-UHFFFAOYSA-N 0 0 327.403 3.387 20 10 EGCDRN CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287764479 456077465 /nfs/dbraw/zinc/07/74/65/456077465.db2.gz RDLGGPKIHKRNOP-UONOGXRCSA-N 0 0 344.242 3.207 20 10 EGCDRN CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287900835 456081497 /nfs/dbraw/zinc/08/14/97/456081497.db2.gz ZOTIEWGTIONDOT-KBPBESRZSA-N 0 0 344.242 3.207 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000287960476 456083716 /nfs/dbraw/zinc/08/37/16/456083716.db2.gz UYTKJEADHBFMJL-UHFFFAOYSA-N 0 0 340.379 3.269 20 10 EGCDRN Fc1cc(CNc2nccnc2C(F)F)ccc1N1CCOCC1 ZINC000288011326 456084393 /nfs/dbraw/zinc/08/43/93/456084393.db2.gz BMLFBIHGLYHWLD-UHFFFAOYSA-N 0 0 338.333 3.002 20 10 EGCDRN CC[C@@H](Nc1ccc(OCC(=O)NC)cc1C)c1ccccc1O ZINC000280986868 456101922 /nfs/dbraw/zinc/10/19/22/456101922.db2.gz MMVCJENUZXDUEI-MRXNPFEDSA-N 0 0 328.412 3.389 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)c2ocnc2C2CC2)cc1F ZINC000289330984 456121480 /nfs/dbraw/zinc/12/14/80/456121480.db2.gz GUMHJQMKMJQRAB-UHFFFAOYSA-N 0 0 331.391 3.467 20 10 EGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 ZINC000332938682 456137591 /nfs/dbraw/zinc/13/75/91/456137591.db2.gz PIUKSNUVVJIXOF-ICSRJNTNSA-N 0 0 341.455 3.244 20 10 EGCDRN CCOc1cccc(CN(C)Cc2nccn2CC(F)(F)F)c1O ZINC000271181682 456159270 /nfs/dbraw/zinc/15/92/70/456159270.db2.gz ZUDDHKDJAHOSQB-UHFFFAOYSA-N 0 0 343.349 3.182 20 10 EGCDRN CC(C)COc1ccc(CC(=O)NCCc2ccc(N)cc2)cc1 ZINC000236669319 456165659 /nfs/dbraw/zinc/16/56/59/456165659.db2.gz RRONZUFOICUEPX-UHFFFAOYSA-N 0 0 326.440 3.205 20 10 EGCDRN CC(C)n1c(CCNC(=O)Cc2ccc(N)cc2)nc2ccccc21 ZINC000236712165 456173026 /nfs/dbraw/zinc/17/30/26/456173026.db2.gz LJAFVJBARQJHMG-UHFFFAOYSA-N 0 0 336.439 3.101 20 10 EGCDRN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(O)c1C ZINC000271215768 456178136 /nfs/dbraw/zinc/17/81/36/456178136.db2.gz BDFQBMZOOLFKGN-UHFFFAOYSA-N 0 0 326.396 3.114 20 10 EGCDRN CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000297321252 456185059 /nfs/dbraw/zinc/18/50/59/456185059.db2.gz NKAPTTYJJMJKLV-ZJUUUORDSA-N 0 0 336.310 3.309 20 10 EGCDRN CC(C)COC[C@@H](NC(=O)NCc1ccccc1O)c1ccco1 ZINC000263675893 456189891 /nfs/dbraw/zinc/18/98/91/456189891.db2.gz CVCGFDRKIOGSTI-OAHLLOKOSA-N 0 0 332.400 3.198 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)c2cncc(C(F)(F)F)c2)cc1 ZINC000289957661 456196031 /nfs/dbraw/zinc/19/60/31/456196031.db2.gz PVXWONIASTTXBT-UHFFFAOYSA-N 0 0 337.345 3.439 20 10 EGCDRN C[C@@]1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCO[C@@H]1C1CC1 ZINC000273168272 456198134 /nfs/dbraw/zinc/19/81/34/456198134.db2.gz LLLULONSOQXCKY-UYAOXDASSA-N 0 0 343.471 3.044 20 10 EGCDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000263746741 456210321 /nfs/dbraw/zinc/21/03/21/456210321.db2.gz PDCYTOQRWCUVDY-ZDUSSCGKSA-N 0 0 345.418 3.028 20 10 EGCDRN C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273411144 456228888 /nfs/dbraw/zinc/22/88/88/456228888.db2.gz PQRCTKTURRWNNE-LSDHHAIUSA-N 0 0 341.411 3.478 20 10 EGCDRN C[C@H]([NH2+]CCN1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273437049 456229939 /nfs/dbraw/zinc/22/99/39/456229939.db2.gz XDOUYKMLKOJWFU-LBPRGKRZSA-N 0 0 347.440 3.071 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000273429189 456230542 /nfs/dbraw/zinc/23/05/42/456230542.db2.gz VDBRYJRVWQTHIY-GTNSWQLSSA-N 0 0 349.814 3.216 20 10 EGCDRN C(=C/c1ccc(N2CCOCC2)cc1)\c1nc(Cc2ccncc2)no1 ZINC000273677026 456242387 /nfs/dbraw/zinc/24/23/87/456242387.db2.gz GPHKQYDGRANNEL-ZZXKWVIFSA-N 0 0 348.406 3.062 20 10 EGCDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000274284406 456254076 /nfs/dbraw/zinc/25/40/76/456254076.db2.gz ZKAMWCURIBSWPY-ZDUSSCGKSA-N 0 0 342.395 3.066 20 10 EGCDRN COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC000274392123 456257984 /nfs/dbraw/zinc/25/79/84/456257984.db2.gz OMCUDQBIIWILRX-ZBEGNZNMSA-N 0 0 344.367 3.483 20 10 EGCDRN C[C@H]1CCSCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000189218505 456257955 /nfs/dbraw/zinc/25/79/55/456257955.db2.gz LMUFIUGERNTGON-HNNXBMFYSA-N 0 0 331.485 3.100 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000275433742 456275000 /nfs/dbraw/zinc/27/50/00/456275000.db2.gz VRSXZWDEQCDZSO-HKUYNNGSSA-N 0 0 347.503 3.224 20 10 EGCDRN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1ncn(C)n1 ZINC000275745625 456302531 /nfs/dbraw/zinc/30/25/31/456302531.db2.gz RCCSKRVEABBDOB-KBPBESRZSA-N 0 0 331.439 3.356 20 10 EGCDRN CC1=C(C)CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000281808263 456327341 /nfs/dbraw/zinc/32/73/41/456327341.db2.gz NGHBPZKNFXBTSA-VMPITWQZSA-N 0 0 326.440 3.105 20 10 EGCDRN CCN(Cc1ncnn1-c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000282082414 456407559 /nfs/dbraw/zinc/40/75/59/456407559.db2.gz UOJLFAPEINYSAK-UHFFFAOYSA-N 0 0 338.411 3.311 20 10 EGCDRN 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336.451 3.229 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CSCCS1 ZINC000282578414 456558153 /nfs/dbraw/zinc/55/81/53/456558153.db2.gz VUIMQAIHRFGBRY-OAHLLOKOSA-N 0 0 325.499 3.370 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000282619933 456571914 /nfs/dbraw/zinc/57/19/14/456571914.db2.gz ZTJLFQRUAKNORO-UHFFFAOYSA-N 0 0 340.379 3.269 20 10 EGCDRN CN(C)c1ccc(CN(C(=O)NCc2cccc(O)c2)C2CC2)cc1 ZINC000298958688 456576538 /nfs/dbraw/zinc/57/65/38/456576538.db2.gz WHPYTGSPKANAGS-UHFFFAOYSA-N 0 0 339.439 3.332 20 10 EGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](n2cccn2)C1 ZINC000291288457 456592881 /nfs/dbraw/zinc/59/28/81/456592881.db2.gz RQSSCKUMAGIPOZ-HNNXBMFYSA-N 0 0 340.452 3.439 20 10 EGCDRN Cc1cc(C(=O)N2CCC(F)(F)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000291321908 456605873 /nfs/dbraw/zinc/60/58/73/456605873.db2.gz SSDBMJGVUZTWJH-HNNXBMFYSA-N 0 0 348.393 3.184 20 10 EGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NCCF ZINC000282946779 456672058 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Cc1cc(C(=O)CN(C)Cc2cn[nH]c2)c(C)n1-c1ccccc1C ZINC000754660642 1300185959 /nfs/dbraw/zinc/18/59/59/1300185959.db2.gz QGLCRESVTPXGBX-UHFFFAOYSA-N 0 0 336.439 3.440 20 10 EGCDRN CC(C)Oc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000754843943 1300227598 /nfs/dbraw/zinc/22/75/98/1300227598.db2.gz SMCKCRCFEZMWLQ-UHFFFAOYSA-N 0 0 331.391 3.004 20 10 EGCDRN CCN(CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1C ZINC000754938538 1300247719 /nfs/dbraw/zinc/24/77/19/1300247719.db2.gz HGZBZQIHNJSDPP-UHFFFAOYSA-N 0 0 325.456 3.204 20 10 EGCDRN Cc1cc(C(=O)N(C)C[C@@H]2CCC[C@H]2O)c(C)n1-c1ccc(F)cc1 ZINC000755226597 1300302152 /nfs/dbraw/zinc/30/21/52/1300302152.db2.gz NLEDWUJSFKARAI-HNAYVOBHSA-N 0 0 344.430 3.466 20 10 EGCDRN C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCSC1 ZINC000755789044 1300396658 /nfs/dbraw/zinc/39/66/58/1300396658.db2.gz ICYLYNFNWMJJPM-AWEZNQCLSA-N 0 0 343.448 3.266 20 10 EGCDRN O=C(NCc1ccccc1O)Nc1cnn(-c2ccccc2F)c1 ZINC000755836533 1300404028 /nfs/dbraw/zinc/40/40/28/1300404028.db2.gz HRNMBUAUOSGXHS-UHFFFAOYSA-N 0 0 326.331 3.039 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2cc(C)ccc2OC)c1 ZINC000756357542 1300474460 /nfs/dbraw/zinc/47/44/60/1300474460.db2.gz DDDWKALHUAZCBR-AWEZNQCLSA-N 0 0 343.423 3.389 20 10 EGCDRN C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cc(F)cc(F)c1[O-] ZINC000756371568 1300477972 /nfs/dbraw/zinc/47/79/72/1300477972.db2.gz LQLDTRZAGWBEBF-GFCCVEGCSA-N 0 0 326.387 3.114 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000756442271 1300492421 /nfs/dbraw/zinc/49/24/21/1300492421.db2.gz NOPPTJCCDLGVMN-DYVFJYSZSA-N 0 0 345.443 3.141 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2c(C)cc(C)nc2OC)c1 ZINC000756536197 1300516206 /nfs/dbraw/zinc/51/62/06/1300516206.db2.gz RGCBHIPJCDUXAF-CYBMUJFWSA-N 0 0 344.411 3.050 20 10 EGCDRN CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756575215 1300525853 /nfs/dbraw/zinc/52/58/53/1300525853.db2.gz NVJVWAVGUAGGAH-HOCLYGCPSA-N 0 0 334.460 3.094 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(F)cc2F)c1 ZINC000756577180 1300525984 /nfs/dbraw/zinc/52/59/84/1300525984.db2.gz QQJSWVPSDYXLGH-LLVKDONJSA-N 0 0 335.350 3.350 20 10 EGCDRN C[C@H](CCO)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756619384 1300533595 /nfs/dbraw/zinc/53/35/95/1300533595.db2.gz WPUBOAXRJHFEGM-RKDXNWHRSA-N 0 0 336.657 3.477 20 10 EGCDRN C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000756618289 1300532186 /nfs/dbraw/zinc/53/21/86/1300532186.db2.gz RZDIVLFDMXUFFS-WDEREUQCSA-N 0 0 345.256 3.429 20 10 EGCDRN CC(C)CNC(=O)c1cccc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000756654872 1300542662 /nfs/dbraw/zinc/54/26/62/1300542662.db2.gz ZPPRUUHFFWBVJY-UHFFFAOYSA-N 0 0 340.423 3.438 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000756709358 1300550367 /nfs/dbraw/zinc/55/03/67/1300550367.db2.gz XVAKPOLXUDKSMK-DJJJIMSYSA-N 0 0 341.407 3.143 20 10 EGCDRN CC[C@@H](O)CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756734778 1300556385 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ZINC000841794546 1321313627 /nfs/dbraw/zinc/31/36/27/1321313627.db2.gz ZBUCWDKORJLHAI-AWEZNQCLSA-N 0 0 349.431 3.176 20 10 EGCDRN CCCNc1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841885492 1321326294 /nfs/dbraw/zinc/32/62/94/1321326294.db2.gz BODIJAPVRVJJLJ-UHFFFAOYSA-N 0 0 326.444 3.133 20 10 EGCDRN COc1cc(CCNC(=O)NCCc2ccc(N)cc2)ccc1Cl ZINC000841906730 1321328558 /nfs/dbraw/zinc/32/85/58/1321328558.db2.gz DQPADRDUNLJJOE-UHFFFAOYSA-N 0 0 347.846 3.015 20 10 EGCDRN Nc1ccc(CCNC(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000841914111 1321329194 /nfs/dbraw/zinc/32/91/94/1321329194.db2.gz VALXLQNCNVZTJQ-AWEZNQCLSA-N 0 0 349.356 3.215 20 10 EGCDRN Nc1ccc(CCNC(=O)NC2(Cc3cccc(F)c3)CCC2)cc1 ZINC000841957415 1321332360 /nfs/dbraw/zinc/33/23/60/1321332360.db2.gz BAGAREQYLRHWSM-UHFFFAOYSA-N 0 0 341.430 3.415 20 10 EGCDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)NCCc2ccc(N)cc2)s1 ZINC000841957218 1321332542 /nfs/dbraw/zinc/33/25/42/1321332542.db2.gz PNZDDTOTJKSTQY-GFCCVEGCSA-N 0 0 332.473 3.287 20 10 EGCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc2c(c1)CCCN2 ZINC000842001403 1321334068 /nfs/dbraw/zinc/33/40/68/1321334068.db2.gz XUPKTXMWEQNZFH-UHFFFAOYSA-N 0 0 325.412 3.092 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2COCc3ccccc32)cc1 ZINC000842190844 1321360278 /nfs/dbraw/zinc/36/02/78/1321360278.db2.gz PLJUKMXOVIOMCB-LJQANCHMSA-N 0 0 339.439 3.166 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)[C@H]2C[C@H](C)CCN2C1=O ZINC000842264905 1321366895 /nfs/dbraw/zinc/36/68/95/1321366895.db2.gz OEDIZVODLLDBPB-QIIPPGSGSA-N 0 0 343.471 3.055 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)[C@H]2CCCCCN2C1=O ZINC000842265562 1321367028 /nfs/dbraw/zinc/36/70/28/1321367028.db2.gz VKDMKPQTXPKZFI-CRAIPNDOSA-N 0 0 343.471 3.199 20 10 EGCDRN C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(N2CCNC2=O)cc1 ZINC000842744014 1321426324 /nfs/dbraw/zinc/42/63/24/1321426324.db2.gz OXZPECIULDGSKM-LBPRGKRZSA-N 0 0 345.830 3.426 20 10 EGCDRN C[C@H](NC(=O)C1CCCCC1)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158674 1321481227 /nfs/dbraw/zinc/48/12/27/1321481227.db2.gz GKHOZZLSEGSSPH-LBPRGKRZSA-N 0 0 328.416 3.000 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)/C=C\C3CCCC3)C2)cc1 ZINC000843609397 1321532880 /nfs/dbraw/zinc/53/28/80/1321532880.db2.gz WNNJKCIPBIMCBK-ACAQERRYSA-N 0 0 328.456 3.384 20 10 EGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCC(=O)C2)cc1 ZINC000843765089 1321545371 /nfs/dbraw/zinc/54/53/71/1321545371.db2.gz WJYMGXHTJGSZMJ-INIZCTEOSA-N 0 0 340.423 3.244 20 10 EGCDRN CN(C)c1ccc(CNC(=O)[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000844307775 1321588354 /nfs/dbraw/zinc/58/83/54/1321588354.db2.gz UNTAIUICGPKCEN-LSDHHAIUSA-N 0 0 344.377 3.116 20 10 EGCDRN COc1ccc(N(C)CCN(C)[C@@H](C)c2nc(C3CC3)no2)cc1 ZINC000844399133 1321599850 /nfs/dbraw/zinc/59/98/50/1321599850.db2.gz HILGZUTWUVFGLR-ZDUSSCGKSA-N 0 0 330.432 3.085 20 10 EGCDRN COc1ccc(N(C)CCN(C)Cn2nc(C)sc2=S)cc1 ZINC000844724672 1321640467 /nfs/dbraw/zinc/64/04/67/1321640467.db2.gz DEHDWJLDQRTZRJ-UHFFFAOYSA-N 0 0 338.502 3.017 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(C(C)=O)cs2)cc1 ZINC000844853226 1321651255 /nfs/dbraw/zinc/65/12/55/1321651255.db2.gz CTDNNLDCEMEDNH-UHFFFAOYSA-N 0 0 346.452 3.168 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(C(C)C)no2)cc1 ZINC000844854101 1321651212 /nfs/dbraw/zinc/65/12/12/1321651212.db2.gz NZVDVMZZOPWALL-UHFFFAOYSA-N 0 0 331.416 3.015 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc(SC)n2)cc1 ZINC000844857442 1321651917 /nfs/dbraw/zinc/65/19/17/1321651917.db2.gz XJXMPNMTLZDTMV-UHFFFAOYSA-N 0 0 345.468 3.021 20 10 EGCDRN COc1nc(C)cc(C)c1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844949401 1321661156 /nfs/dbraw/zinc/66/11/56/1321661156.db2.gz PLCMNIVYNSPHEO-UHFFFAOYSA-N 0 0 349.818 3.065 20 10 EGCDRN CC(C)C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000845093965 1321675471 /nfs/dbraw/zinc/67/54/71/1321675471.db2.gz FGXNVBQUBJXACT-HUUCEWRRSA-N 0 0 340.851 3.439 20 10 EGCDRN CC(C)[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000845088741 1321675687 /nfs/dbraw/zinc/67/56/87/1321675687.db2.gz OGOGYNIGXXAPHV-HIFRSBDPSA-N 0 0 326.824 3.048 20 10 EGCDRN COCC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccco1 ZINC000845099928 1321676040 /nfs/dbraw/zinc/67/60/40/1321676040.db2.gz MQLIQSVPYKLWSK-CYBMUJFWSA-N 0 0 338.791 3.216 20 10 EGCDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845128244 1321677982 /nfs/dbraw/zinc/67/79/82/1321677982.db2.gz RGWMQGWDMZGUDO-GOEBONIOSA-N 0 0 340.851 3.439 20 10 EGCDRN CC(C)(C)OC(=O)[C@]1(C(=O)NCc2ccccc2O)CC=CCC1 ZINC000845834740 1321744947 /nfs/dbraw/zinc/74/49/47/1321744947.db2.gz XWGMTHVFEZGSDR-LJQANCHMSA-N 0 0 331.412 3.077 20 10 EGCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@@H](C)CO)CC2)c1 ZINC000846057202 1321764996 /nfs/dbraw/zinc/76/49/96/1321764996.db2.gz DRANMPIJJONKIR-LBPRGKRZSA-N 0 0 342.277 3.304 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H](OC)C(F)(F)F ZINC000846093185 1321767024 /nfs/dbraw/zinc/76/70/24/1321767024.db2.gz DGJCXJBVXNJCCK-CQSZACIVSA-N 0 0 333.350 3.488 20 10 EGCDRN CC[C@H]([NH2+]CCN1CCCC1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000846206833 1321776353 /nfs/dbraw/zinc/77/63/53/1321776353.db2.gz ULQYIWZJKFUFHW-ZDUSSCGKSA-N 0 0 331.243 3.362 20 10 EGCDRN CN(C)c1ccc(C2(C(=O)NCc3cc(Cl)ccc3O)CC2)cc1 ZINC000846475230 1321788258 /nfs/dbraw/zinc/78/82/58/1321788258.db2.gz AJXRIVWWBQAAOB-UHFFFAOYSA-N 0 0 344.842 3.460 20 10 EGCDRN CC[C@@](O)(CC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000846478026 1321788558 /nfs/dbraw/zinc/78/85/58/1321788558.db2.gz YDOCTPFBYOSQLY-GOSISDBHSA-N 0 0 333.815 3.350 20 10 EGCDRN COc1ccc(N2CCN(Cc3cnc(Cl)c(F)c3)CC2)cc1 ZINC000846762119 1321805543 /nfs/dbraw/zinc/80/55/43/1321805543.db2.gz FQSDEIHRGLFVPB-UHFFFAOYSA-N 0 0 335.810 3.205 20 10 EGCDRN COc1ccc(N2CCN(C(=O)/C(C)=C/c3ccco3)CC2)cc1 ZINC000846768086 1321806106 /nfs/dbraw/zinc/80/61/06/1321806106.db2.gz BHLPINNZCPPUEO-CCEZHUSRSA-N 0 0 326.396 3.040 20 10 EGCDRN COC1CCN(c2ccc(CN(C)[C@H](C)c3nc(C)no3)cc2)CC1 ZINC000847065848 1321837973 /nfs/dbraw/zinc/83/79/73/1321837973.db2.gz PODBITAFBWEYNW-CQSZACIVSA-N 0 0 344.459 3.186 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C(C)=C\c3ccco3)C2)cc1 ZINC000847084484 1321839823 /nfs/dbraw/zinc/83/98/23/1321839823.db2.gz CCIWKOLBMPADTL-IRVMHKCDSA-N 0 0 340.423 3.334 20 10 EGCDRN C/C(=C/c1ccco1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000847304443 1321861795 /nfs/dbraw/zinc/86/17/95/1321861795.db2.gz QSJPQKAPIXCNTA-PEZBUJJGSA-N 0 0 340.423 3.178 20 10 EGCDRN O=C(CCCc1c(F)cccc1F)NCCc1ccc(O)c(O)c1 ZINC000847590056 1321882775 /nfs/dbraw/zinc/88/27/75/1321882775.db2.gz RLDXMHUDOOOXML-UHFFFAOYSA-N 0 0 335.350 3.058 20 10 EGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1(c2cccnc2)CC1 ZINC000848225591 1321945051 /nfs/dbraw/zinc/94/50/51/1321945051.db2.gz HAUSZWVREHOTFY-UHFFFAOYSA-N 0 0 335.451 3.420 20 10 EGCDRN C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc2ccccc2c1O ZINC000848556671 1321975498 /nfs/dbraw/zinc/97/54/98/1321975498.db2.gz CIFLLFYQZVLQIG-WBMJQRKESA-N 0 0 338.411 3.366 20 10 EGCDRN CCc1cccc(CNc2cc(-c3cccs3)nn2CCO)c1O ZINC000848889770 1322030816 /nfs/dbraw/zinc/03/08/16/1322030816.db2.gz BUIRAWDENJFXAQ-UHFFFAOYSA-N 0 0 343.452 3.484 20 10 EGCDRN CCc1cccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)c1O ZINC000848907260 1322041610 /nfs/dbraw/zinc/04/16/10/1322041610.db2.gz KERCZMUALUGJIF-UHFFFAOYSA-N 0 0 325.412 3.398 20 10 EGCDRN Cn1ncc(C2CC2)c1/C=C1/SC(=S)N(c2cccnc2)C1=O ZINC000849241742 1322099932 /nfs/dbraw/zinc/09/99/32/1322099932.db2.gz LYDLRVUGXUTQRU-VGOFMYFVSA-N 0 0 342.449 3.098 20 10 EGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000849349819 1322116965 /nfs/dbraw/zinc/11/69/65/1322116965.db2.gz JVVGCXZNPVAUNN-NVXWUHKLSA-N 0 0 334.822 3.420 20 10 EGCDRN CC[C@H](C)Oc1cccc(S(=O)(=O)NCc2ccccc2O)c1 ZINC000849378664 1322118937 /nfs/dbraw/zinc/11/89/37/1322118937.db2.gz ZLETYXWQUYFDDU-ZDUSSCGKSA-N 0 0 335.425 3.048 20 10 EGCDRN C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000920050394 1322131399 /nfs/dbraw/zinc/13/13/99/1322131399.db2.gz YIDGTXOLZACWGL-AWEZNQCLSA-N 0 0 329.419 3.495 20 10 EGCDRN COc1ccc(N(C)CC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1OC ZINC000920418751 1322175396 /nfs/dbraw/zinc/17/53/96/1322175396.db2.gz AKHYKCJLDSWDDW-DOTOQJQBSA-N 0 0 346.471 3.321 20 10 EGCDRN CCOC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000920889617 1322231486 /nfs/dbraw/zinc/23/14/86/1322231486.db2.gz BLTLHKDDGXPFSS-UHFFFAOYSA-N 0 0 346.402 3.258 20 10 EGCDRN CCN(C[C@H](O)COc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000921061662 1322250695 /nfs/dbraw/zinc/25/06/95/1322250695.db2.gz JQPRJECVWCXGGG-KRWDZBQOSA-N 0 0 345.439 3.278 20 10 EGCDRN CCN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000921062304 1322251348 /nfs/dbraw/zinc/25/13/48/1322251348.db2.gz VXIPHIHKHOJZJS-GJZGRUSLSA-N 0 0 334.460 3.035 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Br)c(F)cc1[O-] ZINC000850513450 1322259874 /nfs/dbraw/zinc/25/98/74/1322259874.db2.gz GEMKTBIYIBTBBD-BDAKNGLRSA-N 0 0 332.213 3.105 20 10 EGCDRN CC[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cccc(Cl)c1[O-] ZINC000850554652 1322264457 /nfs/dbraw/zinc/26/44/57/1322264457.db2.gz FEUUVTCSHGPBJV-PBHICJAKSA-N 0 0 338.879 3.340 20 10 EGCDRN CNC(=O)CC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCCCC1 ZINC000850556107 1322265583 /nfs/dbraw/zinc/26/55/83/1322265583.db2.gz PUQBGQYGHAXXBT-GFCCVEGCSA-N 0 0 340.414 3.408 20 10 EGCDRN C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(Cl)cc1[O-] ZINC000850562662 1322268329 /nfs/dbraw/zinc/26/83/29/1322268329.db2.gz OWHKRBMHESYDNB-PXAZEXFGSA-N 0 0 327.852 3.264 20 10 EGCDRN COc1ccc(C2(C(=O)Nc3ccc(N)cc3)CCC2)cc1OC ZINC000851633835 1323065402 /nfs/dbraw/zinc/06/54/02/1323065402.db2.gz VNFFLZOAUXEEOA-UHFFFAOYSA-N 0 0 326.396 3.346 20 10 EGCDRN O=C(NCCCc1ccco1)NCc1ccc(N2CCCC2)cc1 ZINC000851987676 1323126969 /nfs/dbraw/zinc/12/69/69/1323126969.db2.gz PCNKGNYDRGPFFL-UHFFFAOYSA-N 0 0 327.428 3.312 20 10 EGCDRN CO[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000852261495 1323171056 /nfs/dbraw/zinc/17/10/56/1323171056.db2.gz RCYNAYDNFRJOPD-KDOFPFPSSA-N 0 0 333.476 3.318 20 10 EGCDRN Cc1cc(C(=O)CN(C)Cc2c[nH]cn2)c(C)n1-c1cccc(C)c1 ZINC000852286221 1323173458 /nfs/dbraw/zinc/17/34/58/1323173458.db2.gz AEAWFDSEIKRXJF-UHFFFAOYSA-N 0 0 336.439 3.440 20 10 EGCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)C[C@H]3CC3(C)C)C2)cc1 ZINC000852386502 1323186363 /nfs/dbraw/zinc/18/63/63/1323186363.db2.gz GIGARBWZXWLANS-HZPDHXFCSA-N 0 0 345.487 3.209 20 10 EGCDRN O=C(NCc1ccccc1O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000852495542 1323198497 /nfs/dbraw/zinc/19/84/97/1323198497.db2.gz KHIJWPXPCFXYPS-AWEZNQCLSA-N 0 0 346.349 3.082 20 10 EGCDRN CC[C@H](NC(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000852593113 1323212376 /nfs/dbraw/zinc/21/23/76/1323212376.db2.gz CRHZPGJNJXNRAO-LBPRGKRZSA-N 0 0 327.222 3.143 20 10 EGCDRN CC[C@H](CCO)NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC000860160890 1329162624 /nfs/dbraw/zinc/16/26/24/1329162624.db2.gz LWMJWELCJRFWES-GOSISDBHSA-N 0 0 342.439 3.106 20 10 EGCDRN Cc1cc(CO)cc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000853189310 1325058590 /nfs/dbraw/zinc/05/85/90/1325058590.db2.gz OULDZSNAFYBCLL-UHFFFAOYSA-N 0 0 329.469 3.048 20 10 EGCDRN CCOC(=O)c1cnc(SC2CCC3(CC2)OCCO3)s1 ZINC000853739637 1325156839 /nfs/dbraw/zinc/15/68/39/1325156839.db2.gz FRVGWHNEHLGGJH-UHFFFAOYSA-N 0 0 329.443 3.098 20 10 EGCDRN COc1ccc2c(c1)CCN(c1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000853858429 1325172991 /nfs/dbraw/zinc/17/29/91/1325172991.db2.gz JXDWWUMCZTVVLD-UHFFFAOYSA-N 0 0 344.367 3.183 20 10 EGCDRN CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1(CO)CCC1 ZINC000854002505 1325201085 /nfs/dbraw/zinc/20/10/85/1325201085.db2.gz AUNJGOYMHDQGAG-QAPCUYQASA-N 0 0 347.503 3.300 20 10 EGCDRN CCCCN(Cc1ccccc1O)C(=O)COc1ccc(CO)cc1 ZINC000854374905 1325252395 /nfs/dbraw/zinc/25/23/95/1325252395.db2.gz AIDHBCDRNGUTDT-UHFFFAOYSA-N 0 0 343.423 3.092 20 10 EGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccnn1C(F)F ZINC000854949399 1325326740 /nfs/dbraw/zinc/32/67/40/1325326740.db2.gz UYOLKDIHVTXPBD-GFCCVEGCSA-N 0 0 336.386 3.014 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(CF)cc3)C2)cc1 ZINC000854981240 1325331004 /nfs/dbraw/zinc/33/10/04/1325331004.db2.gz MNBFYFRMMLUFSQ-INIZCTEOSA-N 0 0 342.414 3.421 20 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COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1O ZINC001594058829 958069178 /nfs/dbraw/zinc/06/91/78/958069178.db2.gz KGVHYZSLZKYEOY-LSDHHAIUSA-N 0 0 347.798 3.457 20 10 EGCDRN CCCC[N@H+](Cc1ccccc1O)CC1(O)CCC(C(=O)[O-])CC1 ZINC001603647381 974005709 /nfs/dbraw/zinc/00/57/09/974005709.db2.gz KAKDJJQYIWDNNP-UHFFFAOYSA-N 0 0 335.444 3.000 20 10 EGCDRN COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1O ZINC001604857067 974100878 /nfs/dbraw/zinc/10/08/78/974100878.db2.gz MYRRREFXBDRCOA-XZJROXQQSA-N 0 0 327.380 3.365 20 10 EGCDRN C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001592459018 978175939 /nfs/dbraw/zinc/17/59/39/978175939.db2.gz IMRWHJVKCSOADG-SNUQEOBHSA-N 0 0 329.396 3.253 20 10 EGCDRN C[C@@](CCF)([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(=O)[O-] ZINC001592507414 978325947 /nfs/dbraw/zinc/32/59/47/978325947.db2.gz RZXMXALAULZTJY-IBGZPJMESA-N 0 0 347.386 3.264 20 10 EGCDRN Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1C(=O)[O-] ZINC000840996626 979297812 /nfs/dbraw/zinc/29/78/12/979297812.db2.gz DTTZFIBUTMKTKT-UHFFFAOYSA-N 0 0 339.439 3.057 20 10 EGCDRN CC(C)(C)[N@@H+]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844209801 979361943 /nfs/dbraw/zinc/36/19/43/979361943.db2.gz VCMKHYYXEVBNNI-VURMDHGXSA-N 0 0 347.415 3.003 20 10 EGCDRN COc1ccc(N2CCC([NH2+][C@H](CC(C)(C)C)C(=O)[O-])CC2)cc1 ZINC000901811530 980532441 /nfs/dbraw/zinc/53/24/41/980532441.db2.gz YGLKAGQLGXLFGP-QGZVFWFLSA-N 0 0 334.460 3.143 20 10 EGCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC000903925760 981043198 /nfs/dbraw/zinc/04/31/98/981043198.db2.gz WIRJVDDUTAZCTO-AWEZNQCLSA-N 0 0 345.468 3.287 20 10 EGCDRN CCOc1ccc(N2CC[NH+](Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001597112033 986774603 /nfs/dbraw/zinc/77/46/03/986774603.db2.gz QGAHLNLCSZAVNB-UHFFFAOYSA-N 0 0 340.423 3.106 20 10 EGCDRN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Cl)ccc1O ZINC001598523607 992690405 /nfs/dbraw/zinc/69/04/05/992690405.db2.gz KDOHWWQJGSXDDF-UHFFFAOYSA-N 0 0 335.787 3.141 20 10 EGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2O[C@@H](C)C(=O)[O-])c1 ZINC001599598171 993776826 /nfs/dbraw/zinc/77/68/26/993776826.db2.gz HBHJMNNROIYGIA-OLZOCXBDSA-N 0 0 345.395 3.104 20 10 EGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593196348 994153916 /nfs/dbraw/zinc/15/39/16/994153916.db2.gz HLGGEFSLDSXMHH-DINDLPBHSA-N 0 0 333.359 3.002 20 10 EGCDRN CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001593207864 994217912 /nfs/dbraw/zinc/21/79/12/994217912.db2.gz FAVQWGXEXDXPLN-AGRHKRQWSA-N 0 0 343.423 3.499 20 10 EGCDRN C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593262874 994558680 /nfs/dbraw/zinc/55/86/80/994558680.db2.gz YYPKAPFAPANMPW-DJJJIMSYSA-N 0 0 329.396 3.039 20 10 EGCDRN C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593262875 994558994 /nfs/dbraw/zinc/55/89/94/994558994.db2.gz YYPKAPFAPANMPW-ORAYPTAESA-N 0 0 329.396 3.039 20 10 EGCDRN COC1([C@@H](C(=O)[O-])[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCC1 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455193559 /nfs/dbraw/zinc/19/35/59/455193559.db2.gz WYATXMUASYCZKH-UHFFFAOYSA-N 0 0 326.396 3.403 20 10 EGCDRN CCn1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000264322632 455197170 /nfs/dbraw/zinc/19/71/70/455197170.db2.gz ATSNGZFHDDYNEN-UHFFFAOYSA-N 0 0 340.471 3.391 20 10 EGCDRN C[C@H]1CN(c2ccccc2NC(=O)Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000237657743 455203478 /nfs/dbraw/zinc/20/34/78/455203478.db2.gz RZIGBIUJIZLWIA-GJZGRUSLSA-N 0 0 339.439 3.064 20 10 EGCDRN Cc1cc(C(=O)N2CC[C@H]([C@H](C)O)C2)c(C)n1-c1cccc(C)c1 ZINC000181023915 455277733 /nfs/dbraw/zinc/27/77/33/455277733.db2.gz VPNWZENTNKTCLV-IRXDYDNUSA-N 0 0 326.440 3.245 20 10 EGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000183444179 455293261 /nfs/dbraw/zinc/29/32/61/455293261.db2.gz NKGOAGZTVUGDRQ-ZDUSSCGKSA-N 0 0 338.407 3.259 20 10 EGCDRN COc1cccc([C@H](C)CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183461851 455295831 /nfs/dbraw/zinc/29/58/31/455295831.db2.gz NKNRGSVSMNCRIB-KGLIPLIRSA-N 0 0 343.423 3.347 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)NCCc2ccc(F)c(F)c2)cc1 ZINC000190326262 455297096 /nfs/dbraw/zinc/29/70/96/455297096.db2.gz LWCLUNMYEYCSHI-UHFFFAOYSA-N 0 0 347.409 3.415 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)OC1CCCCCC1 ZINC000183490604 455299735 /nfs/dbraw/zinc/29/97/35/455299735.db2.gz BSXHMGUHMQINRX-KGLIPLIRSA-N 0 0 335.444 3.273 20 10 EGCDRN Cc1ccnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000265505623 455335703 /nfs/dbraw/zinc/33/57/03/455335703.db2.gz JCQHSXXTDOKHRB-OKILXGFUSA-N 0 0 330.407 3.150 20 10 EGCDRN Cc1cccc(OCCCCC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000158949901 455340039 /nfs/dbraw/zinc/34/00/39/455340039.db2.gz YLSYYAUHSXXGKU-UHFFFAOYSA-N 0 0 329.396 3.272 20 10 EGCDRN Cc1ccc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c(O)c1O ZINC000184030357 455348968 /nfs/dbraw/zinc/34/89/68/455348968.db2.gz TWVYCCHWIRRISK-NSHDSACASA-N 0 0 333.334 3.314 20 10 EGCDRN CCOC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000190988181 455420911 /nfs/dbraw/zinc/42/09/11/455420911.db2.gz ZQFMAGPKYOYZLH-KRWDZBQOSA-N 0 0 329.444 3.280 20 10 EGCDRN COC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000175313947 455437543 /nfs/dbraw/zinc/43/75/43/455437543.db2.gz CLVWGUVNEWYMCQ-QGZVFWFLSA-N 0 0 343.427 3.067 20 10 EGCDRN COc1cccc(CNC(=O)N[C@H](C)c2cc(C)ccc2OC)c1O ZINC000266746837 455447197 /nfs/dbraw/zinc/44/71/97/455447197.db2.gz ZIMRSLGGTFRHTR-CYBMUJFWSA-N 0 0 344.411 3.278 20 10 EGCDRN O=C(NC[C@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000266795236 455454010 /nfs/dbraw/zinc/45/40/10/455454010.db2.gz UDCPPTDEQWNBKI-OAHLLOKOSA-N 0 0 332.444 3.273 20 10 EGCDRN C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184838138 455457488 /nfs/dbraw/zinc/45/74/88/455457488.db2.gz YNNLGGMAAHQNHB-LLVKDONJSA-N 0 0 333.259 3.072 20 10 EGCDRN C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(F)cc1[O-] ZINC000185033214 455489063 /nfs/dbraw/zinc/48/90/63/455489063.db2.gz BQIPPMZEDARWHD-KGLIPLIRSA-N 0 0 345.418 3.002 20 10 EGCDRN Cc1ccc(C(=O)N[C@@H](c2nccs2)c2ccccc2)c(O)c1O ZINC000182381989 455501983 /nfs/dbraw/zinc/50/19/83/455501983.db2.gz IPJKIFQPVZAJJX-CQSZACIVSA-N 0 0 340.404 3.382 20 10 EGCDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(C)Cc2ccccc2O)c1 ZINC000191908209 455530821 /nfs/dbraw/zinc/53/08/21/455530821.db2.gz PWHYUYJRQAQVMM-RDJZCZTQSA-N 0 0 341.407 3.172 20 10 EGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3(C)CCC3)cc2F)C[C@H](C)O1 ZINC000267356995 455545761 /nfs/dbraw/zinc/54/57/61/455545761.db2.gz NAUOYDSUGYHBKR-OKILXGFUSA-N 0 0 334.435 3.246 20 10 EGCDRN C[C@H]1CC/C(=C\C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000267898011 455560930 /nfs/dbraw/zinc/56/09/30/455560930.db2.gz YWVIPPCZZXERFV-YEQVNJDRSA-N 0 0 332.419 3.025 20 10 EGCDRN CCOc1cccc(CN2CCN([C@@H](C)c3nccs3)CC2)c1O ZINC000185613844 455585106 /nfs/dbraw/zinc/58/51/06/455585106.db2.gz AODUZELBTNAABB-AWEZNQCLSA-N 0 0 347.484 3.126 20 10 EGCDRN Cc1ccc([C@H]2CSCCN2C(=O)c2cccc(O)c2O)cc1 ZINC000185674716 455593634 /nfs/dbraw/zinc/59/36/34/455593634.db2.gz QVYSPJZGNYZGIL-OAHLLOKOSA-N 0 0 329.421 3.337 20 10 EGCDRN CC(C)[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000271317337 455595430 /nfs/dbraw/zinc/59/54/30/455595430.db2.gz AFZFAYWZUYODCV-PKOBYXMFSA-N 0 0 345.487 3.290 20 10 EGCDRN Cc1ccccc1[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)CO1 ZINC000185741427 455611528 /nfs/dbraw/zinc/61/15/28/455611528.db2.gz YZAATUZJOPJYGV-SUMWQHHRSA-N 0 0 327.380 3.008 20 10 EGCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1OCCc2sccc21 ZINC000292310595 455625149 /nfs/dbraw/zinc/62/51/49/455625149.db2.gz WDEXJRLOVMLCDR-SJKOYZFVSA-N 0 0 346.452 3.298 20 10 EGCDRN Cc1ccc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c(O)c1O ZINC000185978272 455666813 /nfs/dbraw/zinc/66/68/13/455666813.db2.gz IACQNYMASJBXAK-HNNXBMFYSA-N 0 0 347.798 3.273 20 10 EGCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000186205828 455716691 /nfs/dbraw/zinc/71/66/91/455716691.db2.gz PSHXMMHHNFVPGX-UZLBHIALSA-N 0 0 348.462 3.085 20 10 EGCDRN C[C@@H](Nc1ccc(OCC(N)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000186255696 455725958 /nfs/dbraw/zinc/72/59/58/455725958.db2.gz FITCFFWABADNBA-CYBMUJFWSA-N 0 0 340.423 3.308 20 10 EGCDRN C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000193286340 455751055 /nfs/dbraw/zinc/75/10/55/455751055.db2.gz OGUCMNIJHRTQFU-SECBINFHSA-N 0 0 341.242 3.478 20 10 EGCDRN CC(C)Cc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cs1 ZINC000186377593 455755589 /nfs/dbraw/zinc/75/55/89/455755589.db2.gz GXMUVYWDRFFZLJ-LLVKDONJSA-N 0 0 334.441 3.114 20 10 EGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC(C)(C)C1CC1 ZINC000292840358 455762877 /nfs/dbraw/zinc/76/28/77/455762877.db2.gz RHZRMGCKDDSVJU-UHFFFAOYSA-N 0 0 330.472 3.308 20 10 EGCDRN COc1c([O-])c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278141994 455769024 /nfs/dbraw/zinc/76/90/24/455769024.db2.gz BBMFCIQYYFFDEB-GXTWGEPZSA-N 0 0 338.429 3.169 20 10 EGCDRN Cc1cc(C(=O)N[C@@H]2CCCc3c[nH]nc32)c(C)n1-c1ccccn1 ZINC000269038133 455770880 /nfs/dbraw/zinc/77/08/80/455770880.db2.gz XWONLLUYBIUCGK-MRXNPFEDSA-N 0 0 335.411 3.020 20 10 EGCDRN Cc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(C)o1 ZINC000293077269 455773646 /nfs/dbraw/zinc/77/36/46/455773646.db2.gz RAIXCZXFBTZISS-UHFFFAOYSA-N 0 0 327.428 3.458 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1[O-] ZINC000186526033 455786918 /nfs/dbraw/zinc/78/69/18/455786918.db2.gz XCOHMDNAFPPNDZ-GFCCVEGCSA-N 0 0 330.359 3.339 20 10 EGCDRN CSc1nc(C2CC2)nc(C)c1C(=O)NCc1ccccc1O ZINC000269134492 455795935 /nfs/dbraw/zinc/79/59/35/455795935.db2.gz JLOMNLUXZVVRSL-UHFFFAOYSA-N 0 0 329.425 3.020 20 10 EGCDRN CCN(CC)c1ccc(CNC(=O)c2ncoc2C2CC2)cc1F ZINC000294001014 455803372 /nfs/dbraw/zinc/80/33/72/455803372.db2.gz DWFUPEGECNRPSM-UHFFFAOYSA-N 0 0 331.391 3.467 20 10 EGCDRN Cc1cc(O)c(CNc2cccc(C3CC(=O)NC(=O)C3)c2)cc1C ZINC000295129738 455839977 /nfs/dbraw/zinc/83/99/77/455839977.db2.gz XXGJRVRNJVIGFE-UHFFFAOYSA-N 0 0 338.407 3.141 20 10 EGCDRN COc1cc(Cl)cc(CNCc2ncc(C(F)(F)F)cn2)c1O ZINC000295132322 455840061 /nfs/dbraw/zinc/84/00/61/455840061.db2.gz YPMHLNALFRYAKV-UHFFFAOYSA-N 0 0 347.724 3.153 20 10 EGCDRN CCOc1ccc(O)c(CNc2cnn(C3CCOCC3)c2C)c1 ZINC000295171141 455842310 /nfs/dbraw/zinc/84/23/10/455842310.db2.gz UILIZTDEWQZVIC-UHFFFAOYSA-N 0 0 331.416 3.259 20 10 EGCDRN COC(=O)c1cnc(SCCCCCn2cc(C)cn2)s1 ZINC000295275292 455844211 /nfs/dbraw/zinc/84/42/11/455844211.db2.gz JZBKOQOALQIYGR-UHFFFAOYSA-N 0 0 325.459 3.397 20 10 EGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC1(F)F ZINC000295275468 455844386 /nfs/dbraw/zinc/84/43/86/455844386.db2.gz LTYMRPAOYSBBQZ-SNVBAGLBSA-N 0 0 334.160 3.158 20 10 EGCDRN CCc1oc(C(=O)OC)cc1CSc1ncc(C(=O)OC)s1 ZINC000295354984 455847076 /nfs/dbraw/zinc/84/70/76/455847076.db2.gz RAUDWDQKKBQJHV-UHFFFAOYSA-N 0 0 341.410 3.164 20 10 EGCDRN COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278876204 455851563 /nfs/dbraw/zinc/85/15/63/455851563.db2.gz NJEOAGYBEOSCBC-NSHDSACASA-N 0 0 332.356 3.168 20 10 EGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000255119840 455860906 /nfs/dbraw/zinc/86/09/06/455860906.db2.gz IMFAPDGUEZQWTK-UTCJRWHESA-N 0 0 327.315 3.122 20 10 EGCDRN COC(=O)CCN(C(=O)/C=C\c1cnc(C)s1)c1cccc(F)c1 ZINC000255167476 455861572 /nfs/dbraw/zinc/86/15/72/455861572.db2.gz PWZQSYNWLKNSKT-SREVYHEPSA-N 0 0 348.399 3.200 20 10 EGCDRN O=C(c1cccc(O)c1O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000187146110 455873594 /nfs/dbraw/zinc/87/35/94/455873594.db2.gz LPTGHBOIKPGRBG-CYBMUJFWSA-N 0 0 329.421 3.352 20 10 EGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000279869456 455875477 /nfs/dbraw/zinc/87/54/77/455875477.db2.gz JLZUZMHLUHLYIB-RDJZCZTQSA-N 0 0 330.472 3.495 20 10 EGCDRN CCOCc1nnc(NCc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000279978472 455878714 /nfs/dbraw/zinc/87/87/14/455878714.db2.gz FGIQKDCRNIZODQ-UHFFFAOYSA-N 0 0 344.337 3.303 20 10 EGCDRN CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(C)cc1O ZINC000280030530 455881477 /nfs/dbraw/zinc/88/14/77/455881477.db2.gz IBYUAMOIWADHJT-GOSISDBHSA-N 0 0 347.480 3.486 20 10 EGCDRN COCc1cccc(CC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000187277240 455890344 /nfs/dbraw/zinc/89/03/44/455890344.db2.gz PURWFBLBOMBTJW-UHFFFAOYSA-N 0 0 338.451 3.074 20 10 EGCDRN CC[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1[O-] ZINC000285730524 455905358 /nfs/dbraw/zinc/90/53/58/455905358.db2.gz QPFWIAWGLUYFEH-BXUZGUMPSA-N 0 0 334.357 3.456 20 10 EGCDRN CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187672534 455937268 /nfs/dbraw/zinc/93/72/68/455937268.db2.gz YUGRYZHFCMNALW-ZDUSSCGKSA-N 0 0 348.393 3.370 20 10 EGCDRN O=[N+]([O-])c1cnc(Sc2nnc(NCC(F)(F)F)s2)s1 ZINC000195511778 455973823 /nfs/dbraw/zinc/97/38/23/455973823.db2.gz MXIDLZUMVVBNPW-UHFFFAOYSA-N 0 0 343.337 3.028 20 10 EGCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc([S@@](C)=O)cc1 ZINC000270521049 455974804 /nfs/dbraw/zinc/97/48/04/455974804.db2.gz YYJJKUNWEVPILN-YEBMWUKDSA-N 0 0 346.452 3.032 20 10 EGCDRN CCSc1ccc(CC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000270527612 455975025 /nfs/dbraw/zinc/97/50/25/455975025.db2.gz CJSSLWZIJDBDGU-UHFFFAOYSA-N 0 0 331.437 3.111 20 10 EGCDRN CCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(O)c1 ZINC000188035353 455984117 /nfs/dbraw/zinc/98/41/17/455984117.db2.gz XFYFSGFQLQQFAI-UHFFFAOYSA-N 0 0 326.396 3.060 20 10 EGCDRN COc1cc(C)c(CN(C)C(=O)c2ccc(C)c(O)c2O)cc1OC ZINC000272553750 455991584 /nfs/dbraw/zinc/99/15/84/455991584.db2.gz FOCLSKHVWDWRAK-UHFFFAOYSA-N 0 0 345.395 3.004 20 10 EGCDRN Cc1nnc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[nH]1 ZINC000286230037 456005184 /nfs/dbraw/zinc/00/51/84/456005184.db2.gz CPMRRYQUBKXBGN-NSHDSACASA-N 0 0 341.390 3.151 20 10 EGCDRN CC[C@H](CO)NC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000280603518 456010869 /nfs/dbraw/zinc/01/08/69/456010869.db2.gz COVLPFOAYRNYHG-CYBMUJFWSA-N 0 0 348.830 3.158 20 10 EGCDRN COc1ccccc1[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272666817 456032200 /nfs/dbraw/zinc/03/22/00/456032200.db2.gz POQGJEOPRQBCMT-HEWZJLJBSA-N 0 0 339.391 3.136 20 10 EGCDRN CCN(CC)C(=O)c1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000280777221 456050372 /nfs/dbraw/zinc/05/03/72/456050372.db2.gz PKFPFVJGEHILPJ-UHFFFAOYSA-N 0 0 328.412 3.495 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)C1CCN(CC(F)F)CC1 ZINC000280789193 456052949 /nfs/dbraw/zinc/05/29/49/456052949.db2.gz OFPVDWXXBDDFOU-UHFFFAOYSA-N 0 0 340.414 3.108 20 10 EGCDRN CC1CCN(c2ccc(CNS(=O)(=O)CCCCF)cc2)CC1 ZINC000286978083 456059024 /nfs/dbraw/zinc/05/90/24/456059024.db2.gz SDQSTCGPBWVETG-UHFFFAOYSA-N 0 0 342.480 3.092 20 10 EGCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cn(C(C)C)nn1 ZINC000287306917 456066445 /nfs/dbraw/zinc/06/64/45/456066445.db2.gz UCFXNNSWLSJIDJ-KPKJPENVSA-N 0 0 341.440 3.192 20 10 EGCDRN COc1cccc(CNc2ccc3ncccc3c2[N+](=O)[O-])c1O ZINC000301278993 456079571 /nfs/dbraw/zinc/07/95/71/456079571.db2.gz ZMVDUUYJPFXKCX-UHFFFAOYSA-N 0 0 325.324 3.469 20 10 EGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](O)c1ccccc1 ZINC000288669131 456102426 /nfs/dbraw/zinc/10/24/26/456102426.db2.gz WGEBTHUPGWLOML-BONVTDFDSA-N 0 0 336.775 3.166 20 10 EGCDRN C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F ZINC000288740749 456104219 /nfs/dbraw/zinc/10/42/19/456104219.db2.gz GGJWUWXWDDPBQT-NSHDSACASA-N 0 0 329.366 3.377 20 10 EGCDRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000288820218 456105370 /nfs/dbraw/zinc/10/53/70/456105370.db2.gz JYLBRPBNLILYNC-YWZLYKJASA-N 0 0 349.434 3.384 20 10 EGCDRN CC(C)(C)c1nnc(C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000281065835 456125893 /nfs/dbraw/zinc/12/58/93/456125893.db2.gz ZEVLVQJYXHWDSF-UHFFFAOYSA-N 0 0 344.484 3.366 20 10 EGCDRN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1F ZINC000301585941 456153624 /nfs/dbraw/zinc/15/36/24/456153624.db2.gz VOCIHKRRIJKMEV-UHFFFAOYSA-N 0 0 345.374 3.378 20 10 EGCDRN COc1ccc(N2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000301626788 456167213 /nfs/dbraw/zinc/16/72/13/456167213.db2.gz HNQKSEUWVITULD-UHFFFAOYSA-N 0 0 342.399 3.024 20 10 EGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000289905707 456176831 /nfs/dbraw/zinc/17/68/31/456176831.db2.gz SSDIAROTHQAOKO-UHFFFAOYSA-N 0 0 328.416 3.447 20 10 EGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc2c1CCCC2 ZINC000273133295 456187359 /nfs/dbraw/zinc/18/73/59/456187359.db2.gz CDSZBHPDPJCNTN-LLVKDONJSA-N 0 0 331.437 3.399 20 10 EGCDRN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000271245659 456189573 /nfs/dbraw/zinc/18/95/73/456189573.db2.gz BZTSUEIXRWLXMZ-SJLPKXTDSA-N 0 0 345.487 3.386 20 10 EGCDRN CC(C)Oc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000273150975 456192367 /nfs/dbraw/zinc/19/23/67/456192367.db2.gz HTBZZDIDJIXKME-CYBMUJFWSA-N 0 0 329.396 3.246 20 10 EGCDRN CCCc1c(C(=O)NCCc2ccc(N)cc2)[nH]c(C)c1C(C)=O ZINC000236889876 456198024 /nfs/dbraw/zinc/19/80/24/456198024.db2.gz WXPKIKAJLXDMOT-UHFFFAOYSA-N 0 0 327.428 3.033 20 10 EGCDRN CC[C@@H]1C[C@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000273279217 456221134 /nfs/dbraw/zinc/22/11/34/456221134.db2.gz XWTIYOVKCMMOOQ-GDBMZVCRSA-N 0 0 332.444 3.073 20 10 EGCDRN COCCOc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000273359546 456225207 /nfs/dbraw/zinc/22/52/07/456225207.db2.gz 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ZINC000756395764 1300482758 /nfs/dbraw/zinc/48/27/58/1300482758.db2.gz HFJPZFJJOLKUNY-MRXNPFEDSA-N 0 0 343.446 3.004 20 10 EGCDRN C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(F)cc(F)c1[O-] ZINC000756392958 1300483434 /nfs/dbraw/zinc/48/34/34/1300483434.db2.gz LLESXVNGDAWNIB-NSHDSACASA-N 0 0 330.338 3.102 20 10 EGCDRN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756413404 1300485523 /nfs/dbraw/zinc/48/55/23/1300485523.db2.gz DPLHSKYDRUKBDF-NSHDSACASA-N 0 0 334.366 3.271 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418292 1300487362 /nfs/dbraw/zinc/48/73/62/1300487362.db2.gz RNBKSWWSDRTDTA-ZIAGYGMSSA-N 0 0 329.400 3.476 20 10 EGCDRN C[C@@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756446549 1300493446 /nfs/dbraw/zinc/49/34/46/1300493446.db2.gz RUVAAKIDKOFCRQ-LBTNJELSSA-N 0 0 335.448 3.462 20 10 EGCDRN C[C@H]([NH2+]CCN1CCc2sccc2C1)c1cc(F)cc(F)c1[O-] ZINC000756447389 1300493451 /nfs/dbraw/zinc/49/34/51/1300493451.db2.gz VPDKWZVQBMWNRU-NSHDSACASA-N 0 0 338.423 3.441 20 10 EGCDRN CCc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])[nH]n1 ZINC000756574824 1300525170 /nfs/dbraw/zinc/52/51/70/1300525170.db2.gz QSLLDKUKGGJKJP-QMMMGPOBSA-N 0 0 342.212 3.430 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)COc2ccccc2)c1 ZINC000756496155 1300507591 /nfs/dbraw/zinc/50/75/91/1300507591.db2.gz VPJBFIKSTIMGHL-UONOGXRCSA-N 0 0 329.396 3.297 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756543678 1300519167 /nfs/dbraw/zinc/51/91/67/1300519167.db2.gz HHHDKHCVSOMJCL-NXEZZACHSA-N 0 0 343.240 3.181 20 10 EGCDRN CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756575537 1300525284 /nfs/dbraw/zinc/52/52/84/1300525284.db2.gz HKPAUFMHSHTSCP-OTYXRUKQSA-N 0 0 334.229 3.351 20 10 EGCDRN CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756575540 1300525880 /nfs/dbraw/zinc/52/58/80/1300525880.db2.gz HKPAUFMHSHTSCP-YMTOWFKASA-N 0 0 334.229 3.351 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCNc2ccccc2)c1 ZINC000756593287 1300527861 /nfs/dbraw/zinc/52/78/61/1300527861.db2.gz XWWRYIFLZJPOBX-CQSZACIVSA-N 0 0 328.412 3.332 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(F)cc(F)c1[O-] ZINC000756589195 1300528384 /nfs/dbraw/zinc/52/83/84/1300528384.db2.gz KAYNKEIGIATEBA-LLVKDONJSA-N 0 0 330.338 3.102 20 10 EGCDRN CCc1nncn1CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756621467 1300533100 /nfs/dbraw/zinc/53/31/00/1300533100.db2.gz QWHRJLHHABOBJG-VIFPVBQESA-N 0 0 329.231 3.204 20 10 EGCDRN Cc1cccn2cc(CC[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])nc12 ZINC000756626209 1300535492 /nfs/dbraw/zinc/53/54/92/1300535492.db2.gz ATFKVMYOBJRWOV-CYBMUJFWSA-N 0 0 340.383 3.150 20 10 EGCDRN C[C@@H](NC(=O)CN(C)c1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000756654146 1300542501 /nfs/dbraw/zinc/54/25/01/1300542501.db2.gz IGQLWTBQWLVQFG-GFCCVEGCSA-N 0 0 346.814 3.382 20 10 EGCDRN C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756671815 1300545812 /nfs/dbraw/zinc/54/58/12/1300545812.db2.gz KHHUDYWRSKJHSP-NXEZZACHSA-N 0 0 342.212 3.230 20 10 EGCDRN COc1ccc(N2CCN(Cc3ccc(C)nc3C)CC2)c(OC)c1 ZINC000879462240 1300550839 /nfs/dbraw/zinc/55/08/39/1300550839.db2.gz LSHCBPQNBPSVBM-UHFFFAOYSA-N 0 0 341.455 3.038 20 10 EGCDRN C[C@@H]1C[C@H](NCc2cn(-c3ccccc3)nn2)c2c1c(F)ccc2O ZINC000756742555 1300558677 /nfs/dbraw/zinc/55/86/77/1300558677.db2.gz NVDRCYSHBJWEMF-WBMJQRKESA-N 0 0 338.386 3.450 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2COc3ccc(C)cc32)c1 ZINC000756760362 1300561590 /nfs/dbraw/zinc/56/15/90/1300561590.db2.gz NWGAQHGPXNUWMZ-WBMJQRKESA-N 0 0 327.380 3.272 20 10 EGCDRN C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756775394 1300563663 /nfs/dbraw/zinc/56/36/63/1300563663.db2.gz PTKCXKDAZTVXGI-YGRLFVJLSA-N 0 0 325.330 3.064 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1 ZINC000756775826 1300564338 /nfs/dbraw/zinc/56/43/38/1300564338.db2.gz LEFNDBTZUHXKSM-SCLBCKFNSA-N 0 0 340.423 3.016 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756774245 1300564459 /nfs/dbraw/zinc/56/44/59/1300564459.db2.gz BFZQOPDNQOLUGJ-PXAZEXFGSA-N 0 0 327.384 3.138 20 10 EGCDRN C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(Cl)ccc1O ZINC000756831122 1300572438 /nfs/dbraw/zinc/57/24/38/1300572438.db2.gz LCWFDJGMNWRFQG-JTQLQIEISA-N 0 0 331.803 3.409 20 10 EGCDRN CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O ZINC000758572856 1300914119 /nfs/dbraw/zinc/91/41/19/1300914119.db2.gz NYDZFJXYLZPNNG-JTQLQIEISA-N 0 0 347.392 3.004 20 10 EGCDRN CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O ZINC000758573436 1300914722 /nfs/dbraw/zinc/91/47/22/1300914722.db2.gz SBDHSBRBGCRNSD-LBPRGKRZSA-N 0 0 343.379 3.405 20 10 EGCDRN CCCC1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000759115932 1301017409 /nfs/dbraw/zinc/01/74/09/1301017409.db2.gz CHGNESYEGIVHLX-UHFFFAOYSA-N 0 0 330.472 3.452 20 10 EGCDRN CCNc1nc(C)c(C(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000759254823 1301050974 /nfs/dbraw/zinc/05/09/74/1301050974.db2.gz MTCHAPDFSCIFIX-UHFFFAOYSA-N 0 0 345.468 3.398 20 10 EGCDRN O=C(NCCCSc1nccs1)NC[C@@H]1CC1(Cl)Cl ZINC000759537176 1301108901 /nfs/dbraw/zinc/10/89/01/1301108901.db2.gz BLZRLCAMVXQKJE-QMMMGPOBSA-N 0 0 340.301 3.118 20 10 EGCDRN Cc1ccc(CCNC(=O)NCCCSc2nccs2)o1 ZINC000759557688 1301116240 /nfs/dbraw/zinc/11/62/40/1301116240.db2.gz ZTMPSEXLPRLJCI-UHFFFAOYSA-N 0 0 325.459 3.069 20 10 EGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000759595968 1301124895 /nfs/dbraw/zinc/12/48/95/1301124895.db2.gz SMYHRHNLDMITSN-QHHAFSJGSA-N 0 0 349.726 3.416 20 10 EGCDRN Cc1cc(C(=O)NCCC[C@H](C)CO)c(C)n1-c1ccc(F)cc1 ZINC000759889409 1301183946 /nfs/dbraw/zinc/18/39/46/1301183946.db2.gz LDDARFOQAVZELR-ZDUSSCGKSA-N 0 0 332.419 3.372 20 10 EGCDRN Cc1ccc([C@@H]2NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)cc1C ZINC000760951278 1301369907 /nfs/dbraw/zinc/36/99/07/1301369907.db2.gz SDRDTQGAJAIGQJ-SFHVURJKSA-N 0 0 337.423 3.163 20 10 EGCDRN CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C[C@H]1O ZINC000760971185 1301373181 /nfs/dbraw/zinc/37/31/81/1301373181.db2.gz FPDRZZSLMMUPMZ-QFBILLFUSA-N 0 0 326.440 3.245 20 10 EGCDRN C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O ZINC000761091840 1301403404 /nfs/dbraw/zinc/40/34/04/1301403404.db2.gz OQAORKPZMAVBIX-NRFANRHFSA-N 0 0 349.434 3.254 20 10 EGCDRN CCO[C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC000761563401 1301499921 /nfs/dbraw/zinc/49/99/21/1301499921.db2.gz DQRCQQHCBRKNJB-MJGOQNOKSA-N 0 0 349.471 3.351 20 10 EGCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H](c2ccccc2)N(C)C1=O ZINC000761576685 1301503534 /nfs/dbraw/zinc/50/35/34/1301503534.db2.gz CYCXJOLTZHHXGB-KBXCAEBGSA-N 0 0 337.423 3.449 20 10 EGCDRN CCN(C)c1ccc(Cn2cc(Cn3cnc4ccccc43)nn2)cc1 ZINC000881315193 1301522813 /nfs/dbraw/zinc/52/28/13/1301522813.db2.gz NEWJFFHTSFNYDZ-UHFFFAOYSA-N 0 0 346.438 3.181 20 10 EGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc([C@@H]3CCOC3)c2)c1 ZINC000761984109 1301583287 /nfs/dbraw/zinc/58/32/87/1301583287.db2.gz WRXYGDFSPFXRQH-CZUORRHYSA-N 0 0 341.407 3.396 20 10 EGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CCSC2)cc1 ZINC000762167521 1301625735 /nfs/dbraw/zinc/62/57/35/1301625735.db2.gz KJVAYHKPHKIADZ-WMZOPIPTSA-N 0 0 348.512 3.013 20 10 EGCDRN O=S(=O)(CC=C(Cl)Cl)NCc1ccc(N2CCCC2)cc1 ZINC000881786160 1301721252 /nfs/dbraw/zinc/72/12/52/1301721252.db2.gz RQVJKCYFKXFXCD-UHFFFAOYSA-N 0 0 349.283 3.025 20 10 EGCDRN Cc1cc(C(=O)OCC(=O)[C@H]2CCOC2)c(C)n1-c1ccccc1C ZINC000762811992 1301755721 /nfs/dbraw/zinc/75/57/21/1301755721.db2.gz NJUNLSRHYXMZEV-INIZCTEOSA-N 0 0 341.407 3.165 20 10 EGCDRN CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1cc2c(cc1O)OCO2 ZINC000763230158 1301852677 /nfs/dbraw/zinc/85/26/77/1301852677.db2.gz FYGQEHUDXULMCT-UHFFFAOYSA-N 0 0 337.379 3.143 20 10 EGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1 ZINC000763433909 1301904242 /nfs/dbraw/zinc/90/42/42/1301904242.db2.gz PLELESDEUFNWMA-DOTOQJQBSA-N 0 0 330.472 3.497 20 10 EGCDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000764020935 1302001815 /nfs/dbraw/zinc/00/18/15/1302001815.db2.gz VPZFZVKJPVQUOR-DNVCBOLYSA-N 0 0 328.456 3.298 20 10 EGCDRN Cc1ccc([C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])N2CCCC2)o1 ZINC000882953683 1302180310 /nfs/dbraw/zinc/18/03/10/1302180310.db2.gz WMLXVRVEBUIOQP-MRXNPFEDSA-N 0 0 336.382 3.499 20 10 EGCDRN C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883029577 1302213090 /nfs/dbraw/zinc/21/30/90/1302213090.db2.gz ZBRACLMSFAQSHY-JTQLQIEISA-N 0 0 339.208 3.410 20 10 EGCDRN CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H](CO)c1ccccc1 ZINC000883077502 1302234678 /nfs/dbraw/zinc/23/46/78/1302234678.db2.gz LWNWFGVFVDFRGS-LJQANCHMSA-N 0 0 341.455 3.018 20 10 EGCDRN C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883079348 1302235596 /nfs/dbraw/zinc/23/55/96/1302235596.db2.gz QRTOLDCBIWEPKU-QLJPJBMISA-N 0 0 325.330 3.411 20 10 EGCDRN CC(C)[C@@H](O)C1(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000883083157 1302239259 /nfs/dbraw/zinc/23/92/59/1302239259.db2.gz BSKFWDQAPDXAPN-CQSZACIVSA-N 0 0 346.240 3.181 20 10 EGCDRN C[C@](O)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1Cl ZINC000883088729 1302241643 /nfs/dbraw/zinc/24/16/43/1302241643.db2.gz OTYMEYVYSYJSMU-INIZCTEOSA-N 0 0 327.758 3.321 20 10 EGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000883094216 1302245928 /nfs/dbraw/zinc/24/59/28/1302245928.db2.gz SWPNXQJANDURFL-TVQRCGJNSA-N 0 0 348.668 3.449 20 10 EGCDRN COCCOCc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883125411 1302262289 /nfs/dbraw/zinc/26/22/89/1302262289.db2.gz IKJFPECQFLXROJ-UHFFFAOYSA-N 0 0 337.366 3.123 20 10 EGCDRN COC1([C@H](C)[NH2+]Cc2cc(Br)cc(F)c2[O-])CCC1 ZINC000883146535 1302271990 /nfs/dbraw/zinc/27/19/90/1302271990.db2.gz PLFXYRXZVWUPFB-VIFPVBQESA-N 0 0 332.213 3.341 20 10 EGCDRN COc1ccc(N2CCC(Nc3ccc4nc(C)nn4c3)CC2)cc1 ZINC000883154914 1302275212 /nfs/dbraw/zinc/27/52/12/1302275212.db2.gz WJIDNCQYSXXZSI-UHFFFAOYSA-N 0 0 337.427 3.127 20 10 EGCDRN C=C/C=C\CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000883207589 1302306962 /nfs/dbraw/zinc/30/69/62/1302306962.db2.gz PKJBHNHRYWXFQL-YIEVGGLXSA-N 0 0 329.444 3.016 20 10 EGCDRN O=C(NCc1cccc(Br)c1O)c1cc2ccccn2c1 ZINC000765729552 1302314170 /nfs/dbraw/zinc/31/41/70/1302314170.db2.gz OMOHZTRVCXOHLA-UHFFFAOYSA-N 0 0 345.196 3.337 20 10 EGCDRN O=C(NCc1cccc(Br)c1O)[C@@H](F)c1ccccc1 ZINC000765732164 1302314997 /nfs/dbraw/zinc/31/49/97/1302314997.db2.gz QFYBOJSLEKZBNS-ZDUSSCGKSA-N 0 0 338.176 3.482 20 10 EGCDRN Cn1cc(Cl)cc1C(=O)NCc1cccc(Br)c1O ZINC000765750826 1302318690 /nfs/dbraw/zinc/31/86/90/1302318690.db2.gz LPLLXECYNAYYNR-UHFFFAOYSA-N 0 0 343.608 3.077 20 10 EGCDRN O=C(NCc1cccc(Br)c1O)[C@H]1CCCCS1 ZINC000765765237 1302320215 /nfs/dbraw/zinc/32/02/15/1302320215.db2.gz QFNCWLDVBFFHFW-LLVKDONJSA-N 0 0 330.247 3.057 20 10 EGCDRN COc1ccc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000765862670 1302342733 /nfs/dbraw/zinc/34/27/33/1302342733.db2.gz ZCAFIIHTEVINDJ-CYBMUJFWSA-N 0 0 344.411 3.278 20 10 EGCDRN CCc1cc(C)nc(N2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000766069938 1302380902 /nfs/dbraw/zinc/38/09/02/1302380902.db2.gz QDYNOIYXUFECMY-UHFFFAOYSA-N 0 0 326.444 3.073 20 10 EGCDRN CCN(C)c1ccc([C@H](C)NCc2n[nH]cc2Br)cc1 ZINC000766085966 1302384980 /nfs/dbraw/zinc/38/49/80/1302384980.db2.gz WUWCPBZVELHSHS-NSHDSACASA-N 0 0 337.265 3.479 20 10 EGCDRN COc1ccc2c(c1)CCCCN2C[C@@H](O)COCc1ccco1 ZINC000766268562 1302418963 /nfs/dbraw/zinc/41/89/63/1302418963.db2.gz FGWCMLPZTNFUBI-MRXNPFEDSA-N 0 0 331.412 3.009 20 10 EGCDRN Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)nn1 ZINC000767710511 1302749923 /nfs/dbraw/zinc/74/99/23/1302749923.db2.gz DALYVVCJQRWDJW-UHFFFAOYSA-N 0 0 337.379 3.235 20 10 EGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(CC(F)F)C1CCC1 ZINC000884167694 1302761499 /nfs/dbraw/zinc/76/14/99/1302761499.db2.gz LOFOMDGKKVHPPJ-UHFFFAOYSA-N 0 0 335.398 3.392 20 10 EGCDRN CCOc1ccc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)c(O)c1 ZINC000768303237 1302875610 /nfs/dbraw/zinc/87/56/10/1302875610.db2.gz MVNBAKZKWOZHQN-UHFFFAOYSA-N 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20 10 EGCDRN COCCCCN(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841589645 1321285603 /nfs/dbraw/zinc/28/56/03/1321285603.db2.gz JZVVZGHIZQCKNU-INIZCTEOSA-N 0 0 335.492 3.060 20 10 EGCDRN CC(C)COc1ccccc1CNC(=O)NCCc1ccc(N)cc1 ZINC000841725156 1321302776 /nfs/dbraw/zinc/30/27/76/1321302776.db2.gz HSRKDXSVSNIOPD-UHFFFAOYSA-N 0 0 341.455 3.346 20 10 EGCDRN CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841756361 1321307191 /nfs/dbraw/zinc/30/71/91/1321307191.db2.gz WVRIPXLPHKONOT-GFCCVEGCSA-N 0 0 332.831 3.299 20 10 EGCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(Cl)cc1[O-] ZINC000841757116 1321307439 /nfs/dbraw/zinc/30/74/39/1321307439.db2.gz MHVLTTOQWXAOBY-PLQHRBFRSA-N 0 0 335.835 3.350 20 10 EGCDRN CC[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(F)cc1[O-] ZINC000841762756 1321308137 /nfs/dbraw/zinc/30/81/37/1321308137.db2.gz KZABVOHIBZMIPB-HNNXBMFYSA-N 0 0 325.424 3.140 20 10 EGCDRN COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841758628 1321308366 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Nc1ccc(CCNC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000841961740 1321333156 /nfs/dbraw/zinc/33/31/56/1321333156.db2.gz HCQQSBLZCYUPLS-UHFFFAOYSA-N 0 0 327.403 3.325 20 10 EGCDRN CCn1cc(OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)cn1 ZINC000842043348 1321338610 /nfs/dbraw/zinc/33/86/10/1321338610.db2.gz JZRMWXOXXIGCRS-UHFFFAOYSA-N 0 0 342.374 3.106 20 10 EGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2COCc3ccccc32)c1 ZINC000842187770 1321359808 /nfs/dbraw/zinc/35/98/08/1321359808.db2.gz AFXLGDPJPSYUCZ-SJCJKPOMSA-N 0 0 342.395 3.033 20 10 EGCDRN Cn1c2ccc(OC(=O)[C@H]3C[C@@]34CCOC4)cc2c2c1CCCC2 ZINC000843020766 1321457872 /nfs/dbraw/zinc/45/78/72/1321457872.db2.gz KYLFENPOZVFHND-OXQOHEQNSA-N 0 0 325.408 3.389 20 10 EGCDRN O=[N+]([O-])c1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1[O-] ZINC000843048190 1321461533 /nfs/dbraw/zinc/46/15/33/1321461533.db2.gz SOCUISVGPPWXND-KGLIPLIRSA-N 0 0 339.823 3.060 20 10 EGCDRN COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cccc(Cl)c1[O-] ZINC000843113437 1321472250 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CN1Cc2ccccc2[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845079122 1321675099 /nfs/dbraw/zinc/67/50/99/1321675099.db2.gz ZMUCQKWUXKQYCZ-MRXNPFEDSA-N 0 0 345.830 3.032 20 10 EGCDRN COc1cccc([C@@H]2C[C@H]2NC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000845240581 1321687503 /nfs/dbraw/zinc/68/75/03/1321687503.db2.gz KMZIACZXSMWZBH-JKSUJKDBSA-N 0 0 346.814 3.410 20 10 EGCDRN COc1ccc2c(c1)c1c(n2CC(=O)OCc2ccon2)CCCC1 ZINC000845299145 1321696559 /nfs/dbraw/zinc/69/65/59/1321696559.db2.gz WKEUIMHBSVUYAG-UHFFFAOYSA-N 0 0 340.379 3.260 20 10 EGCDRN C[C@@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)n1ccnc1 ZINC000845460108 1321709265 /nfs/dbraw/zinc/70/92/65/1321709265.db2.gz TYMPMBPUSURIBV-KRWDZBQOSA-N 0 0 340.471 3.387 20 10 EGCDRN C[C@@H]1C[C@@H]1c1nnc2ccc(NCc3cc(Cl)ccc3O)nn21 ZINC000845709838 1321735783 /nfs/dbraw/zinc/73/57/83/1321735783.db2.gz YORYYGFSVQLABC-SKDRFNHKSA-N 0 0 329.791 3.219 20 10 EGCDRN CC(C)(C)n1ncc2c1nc(NCc1cc(Cl)ccc1O)[nH]c2=O ZINC000845709066 1321735787 /nfs/dbraw/zinc/73/57/87/1321735787.db2.gz 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QCBJPKKGIQACGS-UHFFFAOYSA-N 0 0 340.423 3.262 20 10 EGCDRN CCOc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000920338043 1322165476 /nfs/dbraw/zinc/16/54/76/1322165476.db2.gz HXWGXISWBPQIQE-UHFFFAOYSA-N 0 0 327.428 3.151 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](C)C[C@@H](C)O)c1 ZINC000859529616 1329009925 /nfs/dbraw/zinc/00/99/25/1329009925.db2.gz GHDWDCMDAPHJBP-DZGCQCFKSA-N 0 0 342.439 3.043 20 10 EGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1 ZINC000850350975 1322232160 /nfs/dbraw/zinc/23/21/60/1322232160.db2.gz JKAHZFWTZANUFU-ZDUSSCGKSA-N 0 0 341.293 3.426 20 10 EGCDRN C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850538947 1322262575 /nfs/dbraw/zinc/26/25/75/1322262575.db2.gz OOGJMNBIOKGYMY-KGLIPLIRSA-N 0 0 333.432 3.358 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccc(F)cc1[O-] ZINC000850574548 1322270529 /nfs/dbraw/zinc/27/05/29/1322270529.db2.gz GBSVLNIXIPYULS-CYBMUJFWSA-N 0 0 343.402 3.302 20 10 EGCDRN 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955906592 /nfs/dbraw/zinc/90/65/92/955906592.db2.gz FFXVHFZNQQFJDA-LLVKDONJSA-N 0 0 341.249 3.002 20 10 EGCDRN CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1 ZINC001603107167 972184052 /nfs/dbraw/zinc/18/40/52/972184052.db2.gz VXRVHZVHGNBJBS-WUJZJPHMSA-N 0 0 333.428 3.018 20 10 EGCDRN CC[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)[O-] ZINC000903708696 956904783 /nfs/dbraw/zinc/90/47/83/956904783.db2.gz CYAWVSSZTQVHOZ-GOSISDBHSA-N 0 0 338.451 3.450 20 10 EGCDRN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001592706038 979172858 /nfs/dbraw/zinc/17/28/58/979172858.db2.gz IODBNONOZJTRCN-NWDGAFQWSA-N 0 0 333.359 3.348 20 10 EGCDRN COC1CCN(c2ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc2)CC1 ZINC000846273682 979439536 /nfs/dbraw/zinc/43/95/36/979439536.db2.gz BVQNMVDEAMLEAG-IBGZPJMESA-N 0 0 348.487 3.233 20 10 EGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1O ZINC000849346392 979497792 /nfs/dbraw/zinc/49/77/92/979497792.db2.gz 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EGCDRN CN(C)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC001598317897 991309342 /nfs/dbraw/zinc/30/93/42/991309342.db2.gz QVRGIERSOBTDAQ-UHFFFAOYSA-N 0 0 348.830 3.198 20 10 EGCDRN COc1ccc(N2CCC([NH2+]C3CCC(CC(=O)[O-])CC3)CC2)cc1 ZINC001599585207 993603591 /nfs/dbraw/zinc/60/35/91/993603591.db2.gz BJJIECFWVIJXNK-UHFFFAOYSA-N 0 0 346.471 3.287 20 10 EGCDRN C[C@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1cc(Cl)ccc1O ZINC001593303149 994731884 /nfs/dbraw/zinc/73/18/84/994731884.db2.gz DAKSHASDVNKYIQ-NSHDSACASA-N 0 0 335.787 3.360 20 10 EGCDRN COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001599667211 994749870 /nfs/dbraw/zinc/74/98/70/994749870.db2.gz XWICWQHYVSWRJW-STQMWFEESA-N 0 0 329.396 3.381 20 10 EGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cc(C(=O)[O-])ccc1O ZINC001593305588 994763920 /nfs/dbraw/zinc/76/39/20/994763920.db2.gz XKNFKIHJFRLCLI-GFCCVEGCSA-N 0 0 343.379 3.103 20 10 EGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC001594184002 998712559 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339.391 3.181 20 10 EGCDRN CC[C@H](C(=O)NCc1cccc(OC)c1O)c1ccc(OC)cc1 ZINC000181445542 455335353 /nfs/dbraw/zinc/33/53/53/455335353.db2.gz AKVKWNVQVSBDLX-INIZCTEOSA-N 0 0 329.396 3.219 20 10 EGCDRN COc1ccc(SCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000008172020 453172281 /nfs/dbraw/zinc/17/22/81/453172281.db2.gz RWJJOZVEKRRSJC-UHFFFAOYSA-N 0 0 330.453 3.170 20 10 EGCDRN Cc1cc(N(C)Cc2ccc(N3CCCCC3)cc2)n2ncnc2n1 ZINC000029853221 453832177 /nfs/dbraw/zinc/83/21/77/453832177.db2.gz HLDCIZDDTVTGRY-UHFFFAOYSA-N 0 0 336.443 3.059 20 10 EGCDRN C[C@@H](COc1cccc(F)c1)NC(=O)N(C)Cc1ccccc1O ZINC000052581676 453838007 /nfs/dbraw/zinc/83/80/07/453838007.db2.gz IWLQPSYALGTQHT-ZDUSSCGKSA-N 0 0 332.375 3.140 20 10 EGCDRN COc1ccc(OC)c(CCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000030865025 453840074 /nfs/dbraw/zinc/84/00/74/453840074.db2.gz FYRUDFVUGOQWNJ-UHFFFAOYSA-N 0 0 342.439 3.019 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccccc1OC ZINC000052851287 453847368 /nfs/dbraw/zinc/84/73/68/453847368.db2.gz 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COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C2CCCCC2)N(C)C)c1 ZINC000756435008 1300490282 /nfs/dbraw/zinc/49/02/82/1300490282.db2.gz WNKKHDXNTGGLPY-RDTXWAMCSA-N 0 0 348.487 3.340 20 10 EGCDRN C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756448210 1300493973 /nfs/dbraw/zinc/49/39/73/1300493973.db2.gz AKDNDBFOTRGMMC-MRVPVSSYSA-N 0 0 344.640 3.392 20 10 EGCDRN CC(C)N(C)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756524058 1300515243 /nfs/dbraw/zinc/51/52/43/1300515243.db2.gz HCANZOXOQFRJSF-SNVBAGLBSA-N 0 0 333.245 3.285 20 10 EGCDRN C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756533454 1300516400 /nfs/dbraw/zinc/51/64/00/1300516400.db2.gz IAKZBTYPYRABBN-MNOVXSKESA-N 0 0 333.259 3.070 20 10 EGCDRN COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C2 ZINC000756538619 1300516871 /nfs/dbraw/zinc/51/68/71/1300516871.db2.gz CXHIXWQSELOWQP-GXFFZTMASA-N 0 0 335.350 3.333 20 10 EGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756577537 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342.212 3.439 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)c1 ZINC000756613136 1300532250 /nfs/dbraw/zinc/53/22/50/1300532250.db2.gz XYOTWSBYNJFHQS-OLZOCXBDSA-N 0 0 347.386 3.436 20 10 EGCDRN C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756659847 1300543349 /nfs/dbraw/zinc/54/33/49/1300543349.db2.gz GVOMHUAYRYXRFZ-WCABBAIRSA-N 0 0 346.652 3.396 20 10 EGCDRN C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756660530 1300543641 /nfs/dbraw/zinc/54/36/41/1300543641.db2.gz MUFPLDUQMRJNLE-VFVRVIDISA-N 0 0 330.384 3.463 20 10 EGCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756765061 1300563144 /nfs/dbraw/zinc/56/31/44/1300563144.db2.gz NFLRGAAMOPSBCS-WCQYABFASA-N 0 0 327.371 3.049 20 10 EGCDRN C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)c2c1c(F)ccc2O ZINC000756774932 1300564051 /nfs/dbraw/zinc/56/40/51/1300564051.db2.gz MKMPNODYAPOROB-XFJVYGCCSA-N 0 0 333.378 3.412 20 10 EGCDRN C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1cc(F)cc(F)c1O ZINC000756801436 1300568366 /nfs/dbraw/zinc/56/83/66/1300568366.db2.gz LNNVZQCCXHJZAL-LLVKDONJSA-N 0 0 335.354 3.075 20 10 EGCDRN CCNC(=O)c1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000756869503 1300583047 /nfs/dbraw/zinc/58/30/47/1300583047.db2.gz WTNMDMBSRUIAKA-LBPRGKRZSA-N 0 0 342.395 3.102 20 10 EGCDRN CCOc1cccc(CNC(=O)C2=CC(=O)CS2)c1OC(F)F ZINC000757426322 1300670184 /nfs/dbraw/zinc/67/01/84/1300670184.db2.gz UKWHLEKGUQINFK-UHFFFAOYSA-N 0 0 343.351 3.384 20 10 EGCDRN COc1cccc(O)c1CN1CCO[C@H](CCc2ccccc2)C1 ZINC000757994096 1300768775 /nfs/dbraw/zinc/76/87/75/1300768775.db2.gz GQFJUBRWTVDUOG-QGZVFWFLSA-N 0 0 327.424 3.234 20 10 EGCDRN CCN(CC)c1ccc(CNC(=S)NC[C@H]2CCCCO2)cc1 ZINC000758199411 1300810703 /nfs/dbraw/zinc/81/07/03/1300810703.db2.gz WWJAPBFIIGKEQF-QGZVFWFLSA-N 0 0 335.517 3.066 20 10 EGCDRN CN(C)c1ccc(CN(C(=S)NC[C@H]2CCCCO2)C2CC2)cc1 ZINC000758203098 1300812226 /nfs/dbraw/zinc/81/22/26/1300812226.db2.gz INNMZSFOPXSVDB-GOSISDBHSA-N 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1321651015 /nfs/dbraw/zinc/65/10/15/1321651015.db2.gz MKXGPEXMQYJXDC-MDZDMXLPSA-N 0 0 345.468 3.068 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)CC2CCSCC2)cc1 ZINC000844855112 1321651101 /nfs/dbraw/zinc/65/11/01/1321651101.db2.gz PPVGDSBLWPXXHF-UHFFFAOYSA-N 0 0 336.501 3.123 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2Cc3ccc(F)cc32)cc1 ZINC000844856812 1321651632 /nfs/dbraw/zinc/65/16/32/1321651632.db2.gz VERSCVBUVRIPMW-LJQANCHMSA-N 0 0 342.414 3.069 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2Cc3ccc(F)cc32)cc1 ZINC000844856809 1321651645 /nfs/dbraw/zinc/65/16/45/1321651645.db2.gz VERSCVBUVRIPMW-IBGZPJMESA-N 0 0 342.414 3.069 20 10 EGCDRN COc1ccc(N(C)CCN(C)C(=O)c2scnc2C(C)C)cc1 ZINC000844856698 1321651866 /nfs/dbraw/zinc/65/18/66/1321651866.db2.gz MMNSWOKQUIKQJE-UHFFFAOYSA-N 0 0 347.484 3.484 20 10 EGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1COc2ccccc2C1 ZINC000844862210 1321652613 /nfs/dbraw/zinc/65/26/13/1321652613.db2.gz BMVJIWIBSRTRGT-LBPRGKRZSA-N 0 0 346.814 3.096 20 10 EGCDRN 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ZINC000851914746 1323112635 /nfs/dbraw/zinc/11/26/35/1323112635.db2.gz AMJCQIGZXZLFSJ-DNVCBOLYSA-N 0 0 345.487 3.026 20 10 EGCDRN CCC[C@H](CC)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852025002 1323135091 /nfs/dbraw/zinc/13/50/91/1323135091.db2.gz RRLWGKHPRUGJIQ-INIZCTEOSA-N 0 0 333.476 3.026 20 10 EGCDRN CO[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000852261494 1323170964 /nfs/dbraw/zinc/17/09/64/1323170964.db2.gz RCYNAYDNFRJOPD-KBXCAEBGSA-N 0 0 333.476 3.318 20 10 EGCDRN CCC(O)(CC)C(C)(C)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000852477003 1323196251 /nfs/dbraw/zinc/19/62/51/1323196251.db2.gz XKOOYPNWKUMSPR-UHFFFAOYSA-N 0 0 335.492 3.129 20 10 EGCDRN CC[C@@H](C)CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000852491713 1323198586 /nfs/dbraw/zinc/19/85/86/1323198586.db2.gz CSXIFFOQHXZKHX-MRXNPFEDSA-N 0 0 333.476 3.353 20 10 EGCDRN OC1CCN(c2ccc(CNc3ncnc4sccc43)cc2)CC1 ZINC000853011863 1323260358 /nfs/dbraw/zinc/26/03/58/1323260358.db2.gz NIQIVMVYLGDCSC-UHFFFAOYSA-N 0 0 340.452 3.265 20 10 EGCDRN O=[N+]([O-])c1ccccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853954854 1325191572 /nfs/dbraw/zinc/19/15/72/1325191572.db2.gz UNTWJJNBZCPENG-UHFFFAOYSA-N 0 0 327.384 3.168 20 10 EGCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@]3(C)CC3(C)C)C2)cc1 ZINC000854187860 1325225592 /nfs/dbraw/zinc/22/55/92/1325225592.db2.gz SFLVSLLLZLDXCW-IFXJQAMLSA-N 0 0 331.460 3.009 20 10 EGCDRN CC[C@H](C)N(CC)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854187179 1325225755 /nfs/dbraw/zinc/22/57/55/1325225755.db2.gz HPAQZSDNZOIFKY-HOTGVXAUSA-N 0 0 333.476 3.352 20 10 EGCDRN CNc1ncnc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc21 ZINC000854324121 1325246474 /nfs/dbraw/zinc/24/64/74/1325246474.db2.gz GYJHQDQQYWOSLJ-UHFFFAOYSA-N 0 0 349.438 3.010 20 10 EGCDRN CC[S@@](C)(=O)=NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000925840276 1325323418 /nfs/dbraw/zinc/32/34/18/1325323418.db2.gz HTUWQFBYTKFHCF-HSZRJFAPSA-N 0 0 336.457 3.162 20 10 EGCDRN CCc1c[nH]c(=O)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000854949431 1325326883 /nfs/dbraw/zinc/32/68/83/1325326883.db2.gz VQWBWLGHPHYIGE-AWEZNQCLSA-N 0 0 341.455 3.085 20 10 EGCDRN C[C@](CO)(NC(=O)C1=CC(=O)CS1)c1cccc(C(F)(F)F)c1 ZINC000855088907 1325342551 /nfs/dbraw/zinc/34/25/51/1325342551.db2.gz WPJLUFODDXNRAL-CQSZACIVSA-N 0 0 345.342 3.110 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@]2(C)CCOC2)ccc1C ZINC000860421916 1329315353 /nfs/dbraw/zinc/31/53/53/1329315353.db2.gz DJOQDYORJRWKPC-HXUWFJFHSA-N 0 0 340.423 3.124 20 10 EGCDRN CCC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000927016630 1327823154 /nfs/dbraw/zinc/82/31/54/1327823154.db2.gz JHFQDEPZLUSSPF-KOLCDFICSA-N 0 0 334.229 3.496 20 10 EGCDRN CCC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000861437217 1329417905 /nfs/dbraw/zinc/41/79/05/1329417905.db2.gz LQJJJRJTPYNFSD-LBPRGKRZSA-N 0 0 342.395 3.443 20 10 EGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CSC[C@H]2C)c1 ZINC000861670269 1329435397 /nfs/dbraw/zinc/43/53/97/1329435397.db2.gz DPZUVZWUMGNUQM-XIKOKIGWSA-N 0 0 342.464 3.388 20 10 EGCDRN 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330.472 3.308 20 10 EGCDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000271565378 455686071 /nfs/dbraw/zinc/68/60/71/455686071.db2.gz WMHABOTVCWRHLQ-PIGZYNQJSA-N 0 0 334.347 3.305 20 10 EGCDRN COc1ccc(N2CCN(Cc3ccn(C4CCCC4)n3)CC2)cc1 ZINC000268667151 455711702 /nfs/dbraw/zinc/71/17/02/455711702.db2.gz JOEXXOIMSMALGB-UHFFFAOYSA-N 0 0 340.471 3.329 20 10 EGCDRN C[C@@H](NCc1nnc2n1CCC2)c1ccc(N2CCCCC2)cc1 ZINC000268793517 455714428 /nfs/dbraw/zinc/71/44/28/455714428.db2.gz YXOPAFYLFNHQRH-OAHLLOKOSA-N 0 0 325.460 3.065 20 10 EGCDRN Cc1cc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n(C)n1 ZINC000284802254 455744991 /nfs/dbraw/zinc/74/49/91/455744991.db2.gz WGFKESMVLNOFAC-UHFFFAOYSA-N 0 0 340.402 3.205 20 10 EGCDRN COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000193276864 455750061 /nfs/dbraw/zinc/75/00/61/455750061.db2.gz XUBCNWMCBHFNOH-OAHLLOKOSA-N 0 0 336.775 3.431 20 10 EGCDRN C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000193286325 455752072 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CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000286902766 456057032 /nfs/dbraw/zinc/05/70/32/456057032.db2.gz DPNDGYCTCKQOPP-HFAKWTLXSA-N 0 0 348.270 3.385 20 10 EGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cc[nH]n1 ZINC000287510446 456071117 /nfs/dbraw/zinc/07/11/17/456071117.db2.gz LIOXMAXHNQPVRT-UHFFFAOYSA-N 0 0 342.424 3.357 20 10 EGCDRN CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287872669 456080801 /nfs/dbraw/zinc/08/08/01/456080801.db2.gz XZSCMMRQHGHRTC-OLZOCXBDSA-N 0 0 331.243 3.408 20 10 EGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC1(O)CCC1 ZINC000288077654 456085869 /nfs/dbraw/zinc/08/58/69/456085869.db2.gz YSRHIDHNUXDXAL-UHFFFAOYSA-N 0 0 345.487 3.123 20 10 EGCDRN O=S1(=O)CCCN1c1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000296996428 456087435 /nfs/dbraw/zinc/08/74/35/456087435.db2.gz SPVVDYPRFULBHJ-INIZCTEOSA-N 0 0 344.436 3.032 20 10 EGCDRN CN(C)c1ccc(CNc2ncccc2C(=O)N2CCCCC2)cc1 ZINC000301339516 456093838 /nfs/dbraw/zinc/09/38/38/456093838.db2.gz 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/nfs/dbraw/zinc/69/96/57/1299699657.db2.gz QIGCJIMWTFHVGV-AWEZNQCLSA-N 0 0 340.423 3.118 20 10 EGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000752125491 1299699803 /nfs/dbraw/zinc/69/98/03/1299699803.db2.gz FJGLXGGKFBILIO-HOCLYGCPSA-N 0 0 334.460 3.177 20 10 EGCDRN COc1cc(N(C)Cc2cccc3c2CCOC3)cc(OC)c1OC ZINC000878129664 1299765413 /nfs/dbraw/zinc/76/54/13/1299765413.db2.gz SJMBUKPTJSWBPD-UHFFFAOYSA-N 0 0 343.423 3.422 20 10 EGCDRN COC(=O)C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000752817236 1299800041 /nfs/dbraw/zinc/80/00/41/1299800041.db2.gz UNTXCXQHRLPCOC-LBPRGKRZSA-N 0 0 339.800 3.141 20 10 EGCDRN Cn1cnc2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc21 ZINC000753508425 1299955354 /nfs/dbraw/zinc/95/53/54/1299955354.db2.gz AEAFNKZWFBVSNF-UHFFFAOYSA-N 0 0 348.450 3.494 20 10 EGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H](OC)C1(C)C ZINC000753551476 1299972121 /nfs/dbraw/zinc/97/21/21/1299972121.db2.gz QIHDXRKHKMTSQK-SJORKVTESA-N 0 0 333.476 3.098 20 10 EGCDRN Cc1ccc2ncc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c(O)c2c1 ZINC000753780226 1300019526 /nfs/dbraw/zinc/01/95/26/1300019526.db2.gz MSKBMFMOXIIPCM-UHFFFAOYSA-N 0 0 349.434 3.175 20 10 EGCDRN COc1ccc(N2CCN(c3cc(C(C)C)ncn3)CC2)cc1F ZINC000754025452 1300066851 /nfs/dbraw/zinc/06/68/51/1300066851.db2.gz HEMRQKAHOQWSQN-UHFFFAOYSA-N 0 0 330.407 3.074 20 10 EGCDRN Cc1cc(C(=O)OCC[C@@H]2CCOC2=O)c(C)n1-c1ccc(F)cc1 ZINC000754050056 1300071808 /nfs/dbraw/zinc/07/18/08/1300071808.db2.gz KWNYBSNSWHYGRS-AWEZNQCLSA-N 0 0 345.370 3.343 20 10 EGCDRN CC1CCN(c2ccc(CNC(=O)c3ccc4nc[nH]c4n3)cc2)CC1 ZINC000755292390 1300317026 /nfs/dbraw/zinc/31/70/26/1300317026.db2.gz BDPRJMYMJRZVQL-UHFFFAOYSA-N 0 0 349.438 3.124 20 10 EGCDRN COc1ccc(OCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756358096 1300474808 /nfs/dbraw/zinc/47/48/08/1300474808.db2.gz IJOBYYKSVIUGNK-LBPRGKRZSA-N 0 0 332.356 3.039 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C2CCCCC2)N(C)C)c1 ZINC000756435004 1300489760 /nfs/dbraw/zinc/48/97/60/1300489760.db2.gz WNKKHDXNTGGLPY-KBXCAEBGSA-N 0 0 348.487 3.340 20 10 EGCDRN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756445016 1300493596 /nfs/dbraw/zinc/49/35/96/1300493596.db2.gz XOBCFKUDUHLPAW-UWVGGRQHSA-N 0 0 332.213 3.371 20 10 EGCDRN Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756455515 1300495732 /nfs/dbraw/zinc/49/57/32/1300495732.db2.gz SXMFQRJEGPUTLC-OCCSQVGLSA-N 0 0 337.366 3.069 20 10 EGCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756455250 1300495989 /nfs/dbraw/zinc/49/59/89/1300495989.db2.gz BQBYMXHITYKQEH-YPMHNXCESA-N 0 0 339.357 3.311 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1 ZINC000756458132 1300496282 /nfs/dbraw/zinc/49/62/82/1300496282.db2.gz UCBKWQLJHYVKJW-KBPBESRZSA-N 0 0 341.407 3.081 20 10 EGCDRN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756475006 1300501206 /nfs/dbraw/zinc/50/12/06/1300501206.db2.gz LYKBNMUCQITTND-CYBMUJFWSA-N 0 0 338.367 3.337 20 10 EGCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000756548482 1300519641 /nfs/dbraw/zinc/51/96/41/1300519641.db2.gz KSWJQBMFYQTZEQ-VHSXEESVSA-N 0 0 345.256 3.427 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1 ZINC000756587139 1300526412 /nfs/dbraw/zinc/52/64/12/1300526412.db2.gz XQZJIGYVGBNVLL-BDJLRTHQSA-N 0 0 341.411 3.005 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(C)c(OC)c2)c1 ZINC000756604780 1300529929 /nfs/dbraw/zinc/52/99/29/1300529929.db2.gz FGSVBDHVEWHYRX-CQSZACIVSA-N 0 0 343.423 3.389 20 10 EGCDRN C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756605071 1300530668 /nfs/dbraw/zinc/53/06/68/1300530668.db2.gz QGQNMTVXDIFMNM-SUMWQHHRSA-N 0 0 330.384 3.465 20 10 EGCDRN COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756607672 1300530848 /nfs/dbraw/zinc/53/08/48/1300530848.db2.gz GZVVLSYBSXXYQU-STQMWFEESA-N 0 0 346.383 3.427 20 10 EGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C12CCC2 ZINC000756612648 1300532125 /nfs/dbraw/zinc/53/21/25/1300532125.db2.gz LWHYIPJXSTZHRV-JCURWCKSSA-N 0 0 333.428 3.177 20 10 EGCDRN C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756626756 1300535194 /nfs/dbraw/zinc/53/51/94/1300535194.db2.gz CGELFCDGICNVIM-WDEREUQCSA-N 0 0 345.256 3.286 20 10 EGCDRN C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756626753 1300535265 /nfs/dbraw/zinc/53/52/65/1300535265.db2.gz CGELFCDGICNVIM-MNOVXSKESA-N 0 0 345.256 3.286 20 10 EGCDRN COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756635675 1300537826 /nfs/dbraw/zinc/53/78/26/1300537826.db2.gz GQVPGXTWBJYWTR-RHSMWYFYSA-N 0 0 343.423 3.087 20 10 EGCDRN Cc1nn(C)c2nc(Cl)c(CN(C)c3ccc4c(c3)OCO4)cc12 ZINC000756653496 1300541202 /nfs/dbraw/zinc/54/12/02/1300541202.db2.gz KSVOOIBZAHLYFY-UHFFFAOYSA-N 0 0 344.802 3.295 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000756661344 1300543574 /nfs/dbraw/zinc/54/35/74/1300543574.db2.gz RAPAVTMUPHBXKD-CXAGYDPISA-N 0 0 335.444 3.161 20 10 EGCDRN C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC000756659138 1300543771 /nfs/dbraw/zinc/54/37/71/1300543771.db2.gz NAONSOUAZTXXMF-MRVPVSSYSA-N 0 0 335.276 3.280 20 10 EGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2COc3ccc(C)cc32)c1 ZINC000756760359 1300560712 /nfs/dbraw/zinc/56/07/12/1300560712.db2.gz NWGAQHGPXNUWMZ-MLGOLLRUSA-N 0 0 327.380 3.272 20 10 EGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756785459 1300565343 /nfs/dbraw/zinc/56/53/43/1300565343.db2.gz VACDQBROJMRKBQ-QGHHPUGFSA-N 0 0 325.330 3.368 20 10 EGCDRN Cc1ccc([C@H](C)Nc2ccc(N3CCOCC3)cn2)c(O)c1C ZINC000756801145 1300568613 /nfs/dbraw/zinc/56/86/13/1300568613.db2.gz IAARKQMBEDVGHX-HNNXBMFYSA-N 0 0 327.428 3.414 20 10 EGCDRN C[C@@H]1C[C@@H](Nc2cccc(OCC(N)=O)c2)c2c1c(F)ccc2O ZINC000756800762 1300568654 /nfs/dbraw/zinc/56/86/54/1300568654.db2.gz FFZLCPAJJIIYKT-QMTHXVAHSA-N 0 0 330.359 3.056 20 10 EGCDRN Cc1cc(C(=O)CN2CC[C@]3(CCOC3)C2)c(C)n1-c1ccccc1 ZINC000756900683 1300585832 /nfs/dbraw/zinc/58/58/32/1300585832.db2.gz XGJONBFMUUTDBW-NRFANRHFSA-N 0 0 338.451 3.389 20 10 EGCDRN Cc1cc(C(=O)NCc2cc(C)ncn2)c(C)n1-c1cccc(C)c1 ZINC000757207606 1300659212 /nfs/dbraw/zinc/65/92/12/1300659212.db2.gz GYGWNDJFDIATDF-UHFFFAOYSA-N 0 0 334.423 3.431 20 10 EGCDRN C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)c(F)cc1[O-] ZINC000757706034 1300716680 /nfs/dbraw/zinc/71/66/80/1300716680.db2.gz TYFFOVROTIUKOK-MRVPVSSYSA-N 0 0 348.212 3.096 20 10 EGCDRN CN(C)c1ccc(CN(C(=S)NC[C@@H]2CCCCO2)C2CC2)cc1 ZINC000758203099 1300812103 /nfs/dbraw/zinc/81/21/03/1300812103.db2.gz INNMZSFOPXSVDB-SFHVURJKSA-N 0 0 347.528 3.161 20 10 EGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000758328216 1300852161 /nfs/dbraw/zinc/85/21/61/1300852161.db2.gz ANTCASDWHBHDPE-UHFFFAOYSA-N 0 0 332.335 3.122 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)c1ccc(Cl)s1 ZINC000758366238 1300863095 /nfs/dbraw/zinc/86/30/95/1300863095.db2.gz JBALMLUUIPVAQC-UHFFFAOYSA-N 0 0 336.844 3.275 20 10 EGCDRN COc1ccc(N(CCCS(=O)(=O)C(C)C)CC(C)C)cc1 ZINC000758706334 1300942264 /nfs/dbraw/zinc/94/22/64/1300942264.db2.gz BCRGDYYGVGJMBX-UHFFFAOYSA-N 0 0 327.490 3.371 20 10 EGCDRN Cc1cc(N(C)C)ccc1CNc1ccnc(N2CCCCC2)n1 ZINC000758869056 1300969353 /nfs/dbraw/zinc/96/93/53/1300969353.db2.gz VZPBAJNZACTYEE-UHFFFAOYSA-N 0 0 325.460 3.453 20 10 EGCDRN COCCN(C(=O)NCCCSc1nccs1)C1CCCC1 ZINC000759589622 1301123001 /nfs/dbraw/zinc/12/30/01/1301123001.db2.gz BVRDSUZUGLJTPD-UHFFFAOYSA-N 0 0 343.518 3.226 20 10 EGCDRN Cc1ccc(C(=O)COC(=O)C=Cc2ccc(O)c(O)c2)c(C)c1 ZINC000759590319 1301123481 /nfs/dbraw/zinc/12/34/81/1301123481.db2.gz WOFYDSDXOLVJGP-VMPITWQZSA-N 0 0 326.348 3.154 20 10 EGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CC23CCC3)cc1 ZINC000759766667 1301157295 /nfs/dbraw/zinc/15/72/95/1301157295.db2.gz ICVIGUPDVOSBSC-RTBURBONSA-N 0 0 342.483 3.450 20 10 EGCDRN Cc1cc(C(=O)CN(C)CC2(O)CCC2)c(C)n1-c1cccc(F)c1 ZINC000759876318 1301182246 /nfs/dbraw/zinc/18/22/46/1301182246.db2.gz JUWKFEGZWHTLIT-UHFFFAOYSA-N 0 0 344.430 3.263 20 10 EGCDRN COc1ccc(C(=O)CCCCC(=O)NCc2ccccc2O)cc1 ZINC000759958786 1301196930 /nfs/dbraw/zinc/19/69/30/1301196930.db2.gz QUWXAHZCEMFUGN-UHFFFAOYSA-N 0 0 341.407 3.460 20 10 EGCDRN Cc1cc(C(=O)NC2(CO)CCCC2)c(C)n1-c1cccc(C)c1 ZINC000760196655 1301232813 /nfs/dbraw/zinc/23/28/13/1301232813.db2.gz ILUBCCCXRUIZHF-UHFFFAOYSA-N 0 0 326.440 3.437 20 10 EGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)cc1 ZINC000760641977 1301312354 /nfs/dbraw/zinc/31/23/54/1301312354.db2.gz IHXIWQASIXXJJH-VOIUYBSRSA-N 0 0 344.480 3.077 20 10 EGCDRN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000760893876 1301358496 /nfs/dbraw/zinc/35/84/96/1301358496.db2.gz IGEWJRSOVHZFEJ-UHFFFAOYSA-N 0 0 341.835 3.460 20 10 EGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccc(F)c1 ZINC000760989102 1301377573 /nfs/dbraw/zinc/37/75/73/1301377573.db2.gz KXGZOYYAJCCYIJ-UHFFFAOYSA-N 0 0 348.761 3.149 20 10 EGCDRN C[C@H]1C[C@H](O)CN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761112722 1301404217 /nfs/dbraw/zinc/40/42/17/1301404217.db2.gz LGSJNIPEGMVFPZ-KSSFIOAISA-N 0 0 338.411 3.496 20 10 EGCDRN CC(C)C1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000761417828 1301459583 /nfs/dbraw/zinc/45/95/83/1301459583.db2.gz APUQYBSAJAPSPQ-UHFFFAOYSA-N 0 0 336.819 3.246 20 10 EGCDRN CCOC(=O)/C(=C\c1ccc(Cl)nc1Cl)c1nccn1C ZINC000761476491 1301478889 /nfs/dbraw/zinc/47/88/89/1301478889.db2.gz KBZWKMLRHJLDJR-NTMALXAHSA-N 0 0 326.183 3.226 20 10 EGCDRN CC(C)C(C(C)C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761576937 1301503624 /nfs/dbraw/zinc/50/36/24/1301503624.db2.gz PGKGUCUGOFBBSW-UHFFFAOYSA-N 0 0 338.835 3.490 20 10 EGCDRN Cc1nc2ccccc2n1Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272043 1301508348 /nfs/dbraw/zinc/50/83/48/1301508348.db2.gz JXCLGPVYXBRYNV-UHFFFAOYSA-N 0 0 346.438 3.099 20 10 EGCDRN COC1CCN(c2ccc(Cn3cc(-c4cccnc4)nn3)cc2)CC1 ZINC000881379694 1301548169 /nfs/dbraw/zinc/54/81/69/1301548169.db2.gz 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1301726551 /nfs/dbraw/zinc/72/65/51/1301726551.db2.gz GALUQDJOMMEULK-BQYQJAHWSA-N 0 0 325.387 3.431 20 10 EGCDRN OCC1CCN(c2ccc(CNc3cc(C4CC4)ncn3)cc2)CC1 ZINC000881821572 1301730933 /nfs/dbraw/zinc/73/09/33/1301730933.db2.gz HCNMNMPDNQQHCU-UHFFFAOYSA-N 0 0 338.455 3.175 20 10 EGCDRN Cc1cnc(C)c(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000762788168 1301748673 /nfs/dbraw/zinc/74/86/73/1301748673.db2.gz VUIVTAGNBHBZKK-KBPBESRZSA-N 0 0 344.434 3.458 20 10 EGCDRN COC(=O)c1cnc(N[C@@H](C)c2cc(OC)ccc2O)c(Cl)c1 ZINC000881917212 1301755417 /nfs/dbraw/zinc/75/54/17/1301755417.db2.gz GMMPCSIEMHSFCO-VIFPVBQESA-N 0 0 336.775 3.409 20 10 EGCDRN Cc1cc(C(=O)NC[C@H](O)C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000762983468 1301797771 /nfs/dbraw/zinc/79/77/71/1301797771.db2.gz ARGRVHGOIFIOTE-KRWDZBQOSA-N 0 0 334.847 3.494 20 10 EGCDRN CN(C)c1ccc(CN(C)C(=O)COC/C=C\c2ccccc2)cc1 ZINC000763205329 1301844102 /nfs/dbraw/zinc/84/41/02/1301844102.db2.gz PBTSNCGHACUGKN-YFHOEESVSA-N 0 0 338.451 3.441 20 10 EGCDRN 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